USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 810 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 468 THR OG1 : rot -160:sc= 0.26 USER MOD Set 1.2: A 501 GLN : amide:sc= -1.64 K(o=-1.4,f=-4.4!) USER MOD Set 2.1: A 481 THR OG1 : rot 174:sc= 1.29 USER MOD Set 2.2: A 489 TYR OH : rot -159:sc= 1 USER MOD Single : A 450 SER OG : rot 180:sc= 0 USER MOD Single : A 451 TYR OH : rot 180:sc= 0 USER MOD Single : A 452 ASN : amide:sc= -0.243 X(o=-0.24,f=0) USER MOD Single : A 453 THR OG1 : rot 180:sc= 0 USER MOD Single : A 454 LYS NZ :NH3+ 169:sc= -0.0526 (180deg=-0.208) USER MOD Single : A 455 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 458 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 461 ASN : amide:sc= -0.0758 X(o=-0.076,f=-0.076) USER MOD Single : A 463 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 465 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 466 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 474 SER OG : rot 180:sc= -0.348 USER MOD Single : A 476 THR OG1 : rot 180:sc= 0 USER MOD Single : A 477 SER OG : rot -82:sc= -1.45 USER MOD Single : A 485 SER OG : rot 180:sc= 0 USER MOD Single : A 491 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 492 ASN : amide:sc= -0.124 K(o=-0.12,f=-1.2) USER MOD Single : A 506 LYS NZ :NH3+ -112:sc= 0.675 (180deg=0) USER MOD Single : A 515 ASN :FLIP amide:sc= -2.02 F(o=-6.4!,f=-2) USER MOD Single : A 522 LYS NZ :NH3+ -156:sc= -1.85! (180deg=-2.98!) USER MOD Single : A 523 SER OG : rot 180:sc= 0 USER MOD Single : A 524 GLN : amide:sc= -0.42 X(o=-0.42,f=-0.039) USER MOD Single : A 529 SER OG : rot 77:sc= 1.3 USER MOD Single : A 533 SER OG : rot 180:sc= 0 USER MOD Single : A 534 THR OG1 : rot -21:sc= 0.795 USER MOD Single : A 535 LYS NZ :NH3+ 167:sc= 0.28 (180deg=0.208) USER MOD Single : A 536 MET CE :methyl -164:sc= -0.108 (180deg=-0.486) USER MOD Single : A 539 THR OG1 : rot 142:sc= -0.133 USER MOD Single : A 541 SER OG : rot 180:sc= 0 USER MOD Single : A 547 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 449 -27.528 -7.208 -15.859 1.00 1.50 N ATOM 2 CA GLY A 449 -26.553 -7.862 -16.728 1.00 53.05 C ATOM 3 C GLY A 449 -25.687 -8.785 -15.929 1.00 45.32 C ATOM 4 O GLY A 449 -25.285 -8.444 -14.826 1.00 32.15 O ATOM 0 HA2 GLY A 449 -27.068 -8.420 -17.510 1.00 53.05 H new ATOM 0 HA3 GLY A 449 -25.937 -7.112 -17.225 1.00 53.05 H new ATOM 8 N SER A 450 -25.393 -9.950 -16.453 1.00 74.14 N ATOM 9 CA SER A 450 -24.607 -10.903 -15.711 1.00 21.41 C ATOM 10 C SER A 450 -23.098 -10.705 -15.901 1.00 53.14 C ATOM 11 O SER A 450 -22.482 -11.303 -16.785 1.00 4.40 O ATOM 12 CB SER A 450 -25.030 -12.337 -16.028 1.00 44.22 C ATOM 13 OG SER A 450 -26.414 -12.533 -15.753 1.00 42.40 O ATOM 0 H SER A 450 -25.683 -10.258 -17.381 1.00 74.14 H new ATOM 0 HA SER A 450 -24.809 -10.719 -14.656 1.00 21.41 H new ATOM 0 HB2 SER A 450 -24.829 -12.556 -17.077 1.00 44.22 H new ATOM 0 HB3 SER A 450 -24.436 -13.034 -15.437 1.00 44.22 H new ATOM 0 HG SER A 450 -26.662 -13.457 -15.965 1.00 42.40 H new ATOM 19 N TYR A 451 -22.543 -9.802 -15.118 1.00 0.40 N ATOM 20 CA TYR A 451 -21.106 -9.563 -15.056 1.00 10.31 C ATOM 21 C TYR A 451 -20.733 -9.274 -13.637 1.00 71.35 C ATOM 22 O TYR A 451 -20.765 -8.126 -13.192 1.00 11.25 O ATOM 23 CB TYR A 451 -20.638 -8.415 -15.970 1.00 4.33 C ATOM 24 CG TYR A 451 -20.763 -8.696 -17.443 1.00 11.01 C ATOM 25 CD1 TYR A 451 -19.732 -9.316 -18.131 1.00 1.04 C ATOM 26 CD2 TYR A 451 -21.904 -8.351 -18.149 1.00 1.51 C ATOM 27 CE1 TYR A 451 -19.837 -9.583 -19.473 1.00 72.23 C ATOM 28 CE2 TYR A 451 -22.013 -8.622 -19.491 1.00 3.15 C ATOM 29 CZ TYR A 451 -20.980 -9.237 -20.146 1.00 1.04 C ATOM 30 OH TYR A 451 -21.095 -9.520 -21.485 1.00 21.12 O ATOM 0 H TYR A 451 -23.082 -9.201 -14.495 1.00 0.40 H new ATOM 0 HA TYR A 451 -20.605 -10.461 -15.419 1.00 10.31 H new ATOM 0 HB2 TYR A 451 -21.216 -7.521 -15.734 1.00 4.33 H new ATOM 0 HB3 TYR A 451 -19.596 -8.190 -15.744 1.00 4.33 H new ATOM 0 HD1 TYR A 451 -18.832 -9.593 -17.603 1.00 1.04 H new ATOM 0 HD2 TYR A 451 -22.719 -7.862 -17.637 1.00 1.51 H new ATOM 0 HE1 TYR A 451 -19.023 -10.063 -19.996 1.00 72.23 H new ATOM 0 HE2 TYR A 451 -22.910 -8.351 -20.028 1.00 3.15 H new ATOM 0 HH TYR A 451 -21.966 -9.211 -21.811 1.00 21.12 H new ATOM 40 N ASN A 452 -20.464 -10.304 -12.909 1.00 21.22 N ATOM 41 CA ASN A 452 -20.153 -10.179 -11.515 1.00 33.44 C ATOM 42 C ASN A 452 -19.195 -11.257 -11.104 1.00 11.43 C ATOM 43 O ASN A 452 -19.374 -12.412 -11.455 1.00 61.31 O ATOM 44 CB ASN A 452 -21.445 -10.279 -10.679 1.00 3.14 C ATOM 45 CG ASN A 452 -21.199 -10.197 -9.185 1.00 55.13 C ATOM 46 OD1 ASN A 452 -21.180 -9.102 -8.600 1.00 55.23 O ATOM 47 ND2 ASN A 452 -21.026 -11.333 -8.545 1.00 72.13 N ATOM 0 H ASN A 452 -20.452 -11.262 -13.259 1.00 21.22 H new ATOM 0 HA ASN A 452 -19.689 -9.208 -11.341 1.00 33.44 H new ATOM 0 HB2 ASN A 452 -22.123 -9.478 -10.973 1.00 3.14 H new ATOM 0 HB3 ASN A 452 -21.945 -11.220 -10.907 1.00 3.14 H new ATOM 0 HD21 ASN A 452 -20.870 -11.332 -7.537 1.00 72.13 H new ATOM 0 HD22 ASN A 452 -21.048 -12.215 -9.057 1.00 72.13 H new ATOM 54 N THR A 453 -18.185 -10.890 -10.383 1.00 64.14 N ATOM 55 CA THR A 453 -17.256 -11.843 -9.884 1.00 35.14 C ATOM 56 C THR A 453 -17.363 -11.852 -8.363 1.00 51.11 C ATOM 57 O THR A 453 -16.794 -10.995 -7.688 1.00 51.10 O ATOM 58 CB THR A 453 -15.821 -11.497 -10.330 1.00 41.03 C ATOM 59 OG1 THR A 453 -15.804 -11.296 -11.763 1.00 22.54 O ATOM 60 CG2 THR A 453 -14.862 -12.629 -9.982 1.00 4.23 C ATOM 0 H THR A 453 -17.984 -9.924 -10.126 1.00 64.14 H new ATOM 0 HA THR A 453 -17.486 -12.832 -10.281 1.00 35.14 H new ATOM 0 HB THR A 453 -15.504 -10.591 -9.813 1.00 41.03 H new ATOM 0 HG1 THR A 453 -14.894 -11.074 -12.051 1.00 22.54 H new ATOM 0 HG21 THR A 453 -13.855 -12.365 -10.305 1.00 4.23 H new ATOM 0 HG22 THR A 453 -14.866 -12.791 -8.904 1.00 4.23 H new ATOM 0 HG23 THR A 453 -15.178 -13.542 -10.488 1.00 4.23 H new ATOM 68 N LYS A 454 -18.149 -12.769 -7.834 1.00 22.44 N ATOM 69 CA LYS A 454 -18.381 -12.826 -6.411 1.00 71.35 C ATOM 70 C LYS A 454 -17.188 -13.503 -5.756 1.00 2.34 C ATOM 71 O LYS A 454 -17.009 -14.718 -5.844 1.00 1.54 O ATOM 72 CB LYS A 454 -19.724 -13.550 -6.108 1.00 3.12 C ATOM 73 CG LYS A 454 -20.317 -13.314 -4.701 1.00 54.42 C ATOM 74 CD LYS A 454 -19.513 -13.933 -3.564 1.00 55.01 C ATOM 75 CE LYS A 454 -20.103 -13.547 -2.209 1.00 53.44 C ATOM 76 NZ LYS A 454 -21.529 -13.935 -2.075 1.00 52.42 N ATOM 0 H LYS A 454 -18.637 -13.485 -8.373 1.00 22.44 H new ATOM 0 HA LYS A 454 -18.476 -11.823 -5.996 1.00 71.35 H new ATOM 0 HB2 LYS A 454 -20.459 -13.235 -6.848 1.00 3.12 H new ATOM 0 HB3 LYS A 454 -19.575 -14.621 -6.243 1.00 3.12 H new ATOM 0 HG2 LYS A 454 -20.397 -12.241 -4.530 1.00 54.42 H new ATOM 0 HG3 LYS A 454 -21.329 -13.717 -4.675 1.00 54.42 H new ATOM 0 HD2 LYS A 454 -19.506 -15.018 -3.667 1.00 55.01 H new ATOM 0 HD3 LYS A 454 -18.477 -13.600 -3.622 1.00 55.01 H new ATOM 0 HE2 LYS A 454 -19.525 -14.023 -1.417 1.00 53.44 H new ATOM 0 HE3 LYS A 454 -20.009 -12.470 -2.070 1.00 53.44 H new ATOM 0 HZ1 LYS A 454 -21.828 -13.823 -1.085 1.00 52.42 H new ATOM 0 HZ2 LYS A 454 -22.113 -13.327 -2.684 1.00 52.42 H new ATOM 0 HZ3 LYS A 454 -21.647 -14.928 -2.362 1.00 52.42 H new ATOM 90 N LYS A 455 -16.378 -12.700 -5.148 1.00 75.23 N ATOM 91 CA LYS A 455 -15.160 -13.123 -4.521 1.00 71.14 C ATOM 92 C LYS A 455 -15.048 -12.426 -3.190 1.00 5.52 C ATOM 93 O LYS A 455 -15.506 -11.292 -3.051 1.00 11.23 O ATOM 94 CB LYS A 455 -13.980 -12.724 -5.428 1.00 11.04 C ATOM 95 CG LYS A 455 -12.591 -12.972 -4.854 1.00 4.01 C ATOM 96 CD LYS A 455 -11.523 -12.479 -5.814 1.00 54.31 C ATOM 97 CE LYS A 455 -10.128 -12.595 -5.221 1.00 5.33 C ATOM 98 NZ LYS A 455 -9.088 -12.103 -6.161 1.00 75.31 N ATOM 0 H LYS A 455 -16.548 -11.697 -5.069 1.00 75.23 H new ATOM 0 HA LYS A 455 -15.150 -14.202 -4.370 1.00 71.14 H new ATOM 0 HB2 LYS A 455 -14.067 -13.270 -6.367 1.00 11.04 H new ATOM 0 HB3 LYS A 455 -14.071 -11.664 -5.666 1.00 11.04 H new ATOM 0 HG2 LYS A 455 -12.491 -12.462 -3.896 1.00 4.01 H new ATOM 0 HG3 LYS A 455 -12.454 -14.037 -4.664 1.00 4.01 H new ATOM 0 HD2 LYS A 455 -11.573 -13.054 -6.739 1.00 54.31 H new ATOM 0 HD3 LYS A 455 -11.721 -11.439 -6.074 1.00 54.31 H new ATOM 0 HE2 LYS A 455 -10.079 -12.025 -4.293 1.00 5.33 H new ATOM 0 HE3 LYS A 455 -9.926 -13.636 -4.967 1.00 5.33 H new ATOM 0 HZ1 LYS A 455 -8.150 -12.198 -5.722 1.00 75.31 H new ATOM 0 HZ2 LYS A 455 -9.119 -12.663 -7.037 1.00 75.31 H new ATOM 0 HZ3 LYS A 455 -9.266 -11.103 -6.384 1.00 75.31 H new ATOM 112 N ILE A 456 -14.500 -13.101 -2.215 1.00 5.21 N ATOM 113 CA ILE A 456 -14.263 -12.505 -0.919 1.00 52.24 C ATOM 114 C ILE A 456 -12.891 -11.851 -0.932 1.00 44.44 C ATOM 115 O ILE A 456 -11.861 -12.533 -1.035 1.00 45.44 O ATOM 116 CB ILE A 456 -14.396 -13.534 0.266 1.00 3.32 C ATOM 117 CG1 ILE A 456 -15.868 -13.982 0.495 1.00 4.21 C ATOM 118 CG2 ILE A 456 -13.820 -12.974 1.557 1.00 71.42 C ATOM 119 CD1 ILE A 456 -16.523 -14.729 -0.651 1.00 22.01 C ATOM 0 H ILE A 456 -14.205 -14.074 -2.292 1.00 5.21 H new ATOM 0 HA ILE A 456 -15.034 -11.756 -0.739 1.00 52.24 H new ATOM 0 HB ILE A 456 -13.818 -14.411 -0.026 1.00 3.32 H new ATOM 0 HG12 ILE A 456 -15.900 -14.616 1.381 1.00 4.21 H new ATOM 0 HG13 ILE A 456 -16.466 -13.097 0.714 1.00 4.21 H new ATOM 0 HG21 ILE A 456 -13.929 -13.710 2.353 1.00 71.42 H new ATOM 0 HG22 ILE A 456 -12.764 -12.746 1.415 1.00 71.42 H new ATOM 0 HG23 ILE A 456 -14.354 -12.064 1.829 1.00 71.42 H new ATOM 0 HD11 ILE A 456 -17.545 -14.990 -0.378 1.00 22.01 H new ATOM 0 HD12 ILE A 456 -16.535 -14.096 -1.538 1.00 22.01 H new ATOM 0 HD13 ILE A 456 -15.960 -15.638 -0.861 1.00 22.01 H new ATOM 131 N GLY A 457 -12.883 -10.555 -0.865 1.00 73.14 N ATOM 132 CA GLY A 457 -11.672 -9.808 -0.978 1.00 42.45 C ATOM 133 C GLY A 457 -11.807 -8.875 -2.134 1.00 14.50 C ATOM 134 O GLY A 457 -11.589 -9.260 -3.288 1.00 21.33 O ATOM 0 H GLY A 457 -13.719 -9.986 -0.730 1.00 73.14 H new ATOM 0 HA2 GLY A 457 -11.481 -9.251 -0.060 1.00 42.45 H new ATOM 0 HA3 GLY A 457 -10.825 -10.477 -1.127 1.00 42.45 H new ATOM 138 N LYS A 458 -12.170 -7.671 -1.840 1.00 41.05 N ATOM 139 CA LYS A 458 -12.503 -6.710 -2.834 1.00 55.24 C ATOM 140 C LYS A 458 -11.285 -5.894 -3.196 1.00 1.21 C ATOM 141 O LYS A 458 -10.552 -5.440 -2.328 1.00 13.23 O ATOM 142 CB LYS A 458 -13.608 -5.800 -2.258 1.00 12.42 C ATOM 143 CG LYS A 458 -14.168 -4.663 -3.142 1.00 15.21 C ATOM 144 CD LYS A 458 -15.069 -5.107 -4.311 1.00 31.43 C ATOM 145 CE LYS A 458 -14.329 -5.773 -5.456 1.00 42.34 C ATOM 146 NZ LYS A 458 -15.246 -6.110 -6.563 1.00 64.12 N ATOM 0 H LYS A 458 -12.244 -7.323 -0.884 1.00 41.05 H new ATOM 0 HA LYS A 458 -12.856 -7.204 -3.739 1.00 55.24 H new ATOM 0 HB2 LYS A 458 -14.444 -6.437 -1.970 1.00 12.42 H new ATOM 0 HB3 LYS A 458 -13.222 -5.349 -1.344 1.00 12.42 H new ATOM 0 HG2 LYS A 458 -14.736 -3.981 -2.509 1.00 15.21 H new ATOM 0 HG3 LYS A 458 -13.330 -4.097 -3.548 1.00 15.21 H new ATOM 0 HD2 LYS A 458 -15.822 -5.797 -3.931 1.00 31.43 H new ATOM 0 HD3 LYS A 458 -15.600 -4.236 -4.695 1.00 31.43 H new ATOM 0 HE2 LYS A 458 -13.545 -5.109 -5.820 1.00 42.34 H new ATOM 0 HE3 LYS A 458 -13.840 -6.679 -5.098 1.00 42.34 H new ATOM 0 HZ1 LYS A 458 -14.711 -6.564 -7.331 1.00 64.12 H new ATOM 0 HZ2 LYS A 458 -15.980 -6.762 -6.220 1.00 64.12 H new ATOM 0 HZ3 LYS A 458 -15.694 -5.242 -6.919 1.00 64.12 H new ATOM 160 N ARG A 459 -11.059 -5.739 -4.465 1.00 63.04 N ATOM 161 CA ARG A 459 -10.028 -4.857 -4.930 1.00 31.34 C ATOM 162 C ARG A 459 -10.675 -3.575 -5.362 1.00 21.13 C ATOM 163 O ARG A 459 -11.777 -3.593 -5.925 1.00 75.52 O ATOM 164 CB ARG A 459 -9.241 -5.455 -6.084 1.00 51.03 C ATOM 165 CG ARG A 459 -8.544 -6.750 -5.748 1.00 72.43 C ATOM 166 CD ARG A 459 -7.724 -7.244 -6.917 1.00 13.41 C ATOM 167 NE ARG A 459 -8.534 -7.442 -8.126 1.00 25.14 N ATOM 168 CZ ARG A 459 -8.069 -7.931 -9.288 1.00 10.23 C ATOM 169 NH1 ARG A 459 -6.787 -8.304 -9.404 1.00 43.40 N ATOM 170 NH2 ARG A 459 -8.890 -8.062 -10.326 1.00 43.34 N ATOM 0 H ARG A 459 -11.578 -6.215 -5.203 1.00 63.04 H new ATOM 0 HA ARG A 459 -9.320 -4.685 -4.120 1.00 31.34 H new ATOM 0 HB2 ARG A 459 -9.918 -5.626 -6.921 1.00 51.03 H new ATOM 0 HB3 ARG A 459 -8.498 -4.731 -6.417 1.00 51.03 H new ATOM 0 HG2 ARG A 459 -7.898 -6.605 -4.882 1.00 72.43 H new ATOM 0 HG3 ARG A 459 -9.282 -7.503 -5.473 1.00 72.43 H new ATOM 0 HD2 ARG A 459 -6.930 -6.528 -7.128 1.00 13.41 H new ATOM 0 HD3 ARG A 459 -7.242 -8.184 -6.648 1.00 13.41 H new ATOM 0 HE ARG A 459 -9.521 -7.190 -8.080 1.00 25.14 H new ATOM 0 HH11 ARG A 459 -6.157 -8.218 -8.607 1.00 43.40 H new ATOM 0 HH12 ARG A 459 -6.442 -8.674 -10.289 1.00 43.40 H new ATOM 0 HH21 ARG A 459 -9.870 -7.792 -10.239 1.00 43.34 H new ATOM 0 HH22 ARG A 459 -8.540 -8.433 -11.209 1.00 43.34 H new ATOM 184 N LEU A 460 -10.030 -2.476 -5.103 1.00 10.11 N ATOM 185 CA LEU A 460 -10.594 -1.178 -5.418 1.00 64.23 C ATOM 186 C LEU A 460 -9.575 -0.358 -6.112 1.00 1.04 C ATOM 187 O LEU A 460 -8.423 -0.295 -5.669 1.00 1.21 O ATOM 188 CB LEU A 460 -11.056 -0.377 -4.161 1.00 14.50 C ATOM 189 CG LEU A 460 -12.183 -0.935 -3.266 1.00 52.53 C ATOM 190 CD1 LEU A 460 -13.438 -1.242 -4.063 1.00 65.41 C ATOM 191 CD2 LEU A 460 -11.725 -2.116 -2.418 1.00 3.44 C ATOM 0 H LEU A 460 -9.106 -2.443 -4.672 1.00 10.11 H new ATOM 0 HA LEU A 460 -11.469 -1.371 -6.039 1.00 64.23 H new ATOM 0 HB2 LEU A 460 -10.180 -0.232 -3.528 1.00 14.50 H new ATOM 0 HB3 LEU A 460 -11.370 0.610 -4.502 1.00 14.50 H new ATOM 0 HG LEU A 460 -12.445 -0.145 -2.562 1.00 52.53 H new ATOM 0 HD11 LEU A 460 -14.206 -1.632 -3.396 1.00 65.41 H new ATOM 0 HD12 LEU A 460 -13.799 -0.330 -4.538 1.00 65.41 H new ATOM 0 HD13 LEU A 460 -13.211 -1.984 -4.828 1.00 65.41 H new ATOM 0 HD21 LEU A 460 -12.556 -2.470 -1.808 1.00 3.44 H new ATOM 0 HD22 LEU A 460 -11.385 -2.921 -3.069 1.00 3.44 H new ATOM 0 HD23 LEU A 460 -10.906 -1.803 -1.770 1.00 3.44 H new ATOM 203 N ASN A 461 -9.960 0.249 -7.185 1.00 50.15 N ATOM 204 CA ASN A 461 -9.092 1.158 -7.857 1.00 51.54 C ATOM 205 C ASN A 461 -9.444 2.550 -7.358 1.00 24.41 C ATOM 206 O ASN A 461 -10.571 3.031 -7.518 1.00 51.05 O ATOM 207 CB ASN A 461 -9.179 1.026 -9.404 1.00 24.15 C ATOM 208 CG ASN A 461 -10.515 1.422 -10.009 1.00 1.52 C ATOM 209 OD1 ASN A 461 -11.441 0.605 -10.115 1.00 54.22 O ATOM 210 ND2 ASN A 461 -10.613 2.645 -10.453 1.00 3.21 N ATOM 0 H ASN A 461 -10.876 0.131 -7.618 1.00 50.15 H new ATOM 0 HA ASN A 461 -8.050 0.934 -7.630 1.00 51.54 H new ATOM 0 HB2 ASN A 461 -8.398 1.642 -9.850 1.00 24.15 H new ATOM 0 HB3 ASN A 461 -8.965 -0.007 -9.678 1.00 24.15 H new ATOM 0 HD21 ASN A 461 -11.473 2.956 -10.905 1.00 3.21 H new ATOM 0 HD22 ASN A 461 -9.830 3.290 -10.348 1.00 3.21 H new ATOM 217 N ILE A 462 -8.515 3.154 -6.703 1.00 44.40 N ATOM 218 CA ILE A 462 -8.724 4.408 -6.044 1.00 5.45 C ATOM 219 C ILE A 462 -7.721 5.405 -6.572 1.00 51.22 C ATOM 220 O ILE A 462 -6.613 5.046 -6.868 1.00 2.44 O ATOM 221 CB ILE A 462 -8.496 4.242 -4.510 1.00 53.33 C ATOM 222 CG1 ILE A 462 -9.363 3.101 -3.946 1.00 44.15 C ATOM 223 CG2 ILE A 462 -8.824 5.538 -3.787 1.00 32.00 C ATOM 224 CD1 ILE A 462 -9.167 2.841 -2.463 1.00 22.11 C ATOM 0 H ILE A 462 -7.568 2.788 -6.605 1.00 44.40 H new ATOM 0 HA ILE A 462 -9.742 4.750 -6.229 1.00 5.45 H new ATOM 0 HB ILE A 462 -7.447 3.994 -4.349 1.00 53.33 H new ATOM 0 HG12 ILE A 462 -10.412 3.335 -4.126 1.00 44.15 H new ATOM 0 HG13 ILE A 462 -9.141 2.186 -4.496 1.00 44.15 H new ATOM 0 HG21 ILE A 462 -8.661 5.409 -2.717 1.00 32.00 H new ATOM 0 HG22 ILE A 462 -8.180 6.335 -4.159 1.00 32.00 H new ATOM 0 HG23 ILE A 462 -9.867 5.801 -3.966 1.00 32.00 H new ATOM 0 HD11 ILE A 462 -9.815 2.023 -2.148 1.00 22.11 H new ATOM 0 HD12 ILE A 462 -8.127 2.574 -2.275 1.00 22.11 H new ATOM 0 HD13 ILE A 462 -9.418 3.740 -1.900 1.00 22.11 H new ATOM 236 N GLN A 463 -8.109 6.626 -6.727 1.00 71.25 N ATOM 237 CA GLN A 463 -7.183 7.634 -7.155 1.00 5.54 C ATOM 238 C GLN A 463 -7.061 8.744 -6.142 1.00 33.04 C ATOM 239 O GLN A 463 -8.062 9.324 -5.714 1.00 1.03 O ATOM 240 CB GLN A 463 -7.520 8.162 -8.542 1.00 41.42 C ATOM 241 CG GLN A 463 -7.209 7.182 -9.661 1.00 71.51 C ATOM 242 CD GLN A 463 -7.595 7.705 -11.027 1.00 55.33 C ATOM 243 OE1 GLN A 463 -7.575 8.912 -11.280 1.00 55.23 O ATOM 244 NE2 GLN A 463 -7.961 6.812 -11.911 1.00 30.42 N ATOM 0 H GLN A 463 -9.060 6.956 -6.565 1.00 71.25 H new ATOM 0 HA GLN A 463 -6.204 7.160 -7.228 1.00 5.54 H new ATOM 0 HB2 GLN A 463 -8.580 8.415 -8.577 1.00 41.42 H new ATOM 0 HB3 GLN A 463 -6.966 9.085 -8.714 1.00 41.42 H new ATOM 0 HG2 GLN A 463 -6.143 6.955 -9.652 1.00 71.51 H new ATOM 0 HG3 GLN A 463 -7.735 6.246 -9.474 1.00 71.51 H new ATOM 0 HE21 GLN A 463 -7.965 5.822 -11.665 1.00 30.42 H new ATOM 0 HE22 GLN A 463 -8.243 7.106 -12.846 1.00 30.42 H new ATOM 253 N LEU A 464 -5.837 9.024 -5.762 1.00 73.24 N ATOM 254 CA LEU A 464 -5.516 10.058 -4.802 1.00 73.31 C ATOM 255 C LEU A 464 -4.734 11.124 -5.501 1.00 74.40 C ATOM 256 O LEU A 464 -3.781 10.825 -6.207 1.00 34.11 O ATOM 257 CB LEU A 464 -4.639 9.477 -3.662 1.00 32.15 C ATOM 258 CG LEU A 464 -5.311 8.628 -2.553 1.00 44.14 C ATOM 259 CD1 LEU A 464 -6.237 9.468 -1.713 1.00 74.54 C ATOM 260 CD2 LEU A 464 -6.050 7.432 -3.087 1.00 62.44 C ATOM 0 H LEU A 464 -5.018 8.530 -6.118 1.00 73.24 H new ATOM 0 HA LEU A 464 -6.438 10.458 -4.381 1.00 73.31 H new ATOM 0 HB2 LEU A 464 -3.865 8.863 -4.123 1.00 32.15 H new ATOM 0 HB3 LEU A 464 -4.135 10.313 -3.176 1.00 32.15 H new ATOM 0 HG LEU A 464 -4.497 8.253 -1.932 1.00 44.14 H new ATOM 0 HD11 LEU A 464 -6.694 8.846 -0.943 1.00 74.54 H new ATOM 0 HD12 LEU A 464 -5.672 10.272 -1.242 1.00 74.54 H new ATOM 0 HD13 LEU A 464 -7.016 9.894 -2.345 1.00 74.54 H new ATOM 0 HD21 LEU A 464 -6.497 6.881 -2.259 1.00 62.44 H new ATOM 0 HD22 LEU A 464 -6.834 7.763 -3.768 1.00 62.44 H new ATOM 0 HD23 LEU A 464 -5.355 6.784 -3.621 1.00 62.44 H new ATOM 272 N LYS A 465 -5.101 12.350 -5.310 1.00 22.32 N ATOM 273 CA LYS A 465 -4.434 13.406 -5.945 1.00 54.13 C ATOM 274 C LYS A 465 -3.559 14.135 -4.981 1.00 72.21 C ATOM 275 O LYS A 465 -3.929 14.390 -3.827 1.00 14.13 O ATOM 276 CB LYS A 465 -5.413 14.339 -6.626 1.00 63.21 C ATOM 277 CG LYS A 465 -4.758 15.451 -7.441 1.00 60.34 C ATOM 278 CD LYS A 465 -5.790 16.277 -8.179 1.00 42.23 C ATOM 279 CE LYS A 465 -6.613 15.401 -9.116 1.00 1.50 C ATOM 280 NZ LYS A 465 -7.622 16.172 -9.867 1.00 65.00 N ATOM 0 H LYS A 465 -5.873 12.633 -4.707 1.00 22.32 H new ATOM 0 HA LYS A 465 -3.794 12.987 -6.721 1.00 54.13 H new ATOM 0 HB2 LYS A 465 -6.057 13.754 -7.283 1.00 63.21 H new ATOM 0 HB3 LYS A 465 -6.055 14.789 -5.869 1.00 63.21 H new ATOM 0 HG2 LYS A 465 -4.179 16.096 -6.780 1.00 60.34 H new ATOM 0 HG3 LYS A 465 -4.059 15.017 -8.156 1.00 60.34 H new ATOM 0 HD2 LYS A 465 -6.448 16.770 -7.463 1.00 42.23 H new ATOM 0 HD3 LYS A 465 -5.294 17.062 -8.750 1.00 42.23 H new ATOM 0 HE2 LYS A 465 -5.947 14.899 -9.818 1.00 1.50 H new ATOM 0 HE3 LYS A 465 -7.111 14.623 -8.537 1.00 1.50 H new ATOM 0 HZ1 LYS A 465 -8.155 15.532 -10.490 1.00 65.00 H new ATOM 0 HZ2 LYS A 465 -8.275 16.630 -9.200 1.00 65.00 H new ATOM 0 HZ3 LYS A 465 -7.148 16.898 -10.441 1.00 65.00 H new ATOM 294 N LYS A 466 -2.407 14.413 -5.439 1.00 41.42 N ATOM 295 CA LYS A 466 -1.424 15.150 -4.702 1.00 3.53 C ATOM 296 C LYS A 466 -1.836 16.622 -4.633 1.00 13.01 C ATOM 297 O LYS A 466 -1.727 17.359 -5.620 1.00 60.33 O ATOM 298 CB LYS A 466 -0.046 15.033 -5.370 1.00 11.34 C ATOM 299 CG LYS A 466 1.071 15.717 -4.588 1.00 71.55 C ATOM 300 CD LYS A 466 2.390 15.745 -5.347 1.00 53.52 C ATOM 301 CE LYS A 466 2.279 16.553 -6.636 1.00 13.42 C ATOM 302 NZ LYS A 466 3.582 16.701 -7.315 1.00 40.30 N ATOM 0 H LYS A 466 -2.095 14.132 -6.368 1.00 41.42 H new ATOM 0 HA LYS A 466 -1.359 14.737 -3.696 1.00 3.53 H new ATOM 0 HB2 LYS A 466 0.201 13.978 -5.493 1.00 11.34 H new ATOM 0 HB3 LYS A 466 -0.097 15.467 -6.369 1.00 11.34 H new ATOM 0 HG2 LYS A 466 0.771 16.738 -4.352 1.00 71.55 H new ATOM 0 HG3 LYS A 466 1.214 15.200 -3.639 1.00 71.55 H new ATOM 0 HD2 LYS A 466 3.166 16.174 -4.713 1.00 53.52 H new ATOM 0 HD3 LYS A 466 2.697 14.726 -5.581 1.00 53.52 H new ATOM 0 HE2 LYS A 466 1.574 16.065 -7.309 1.00 13.42 H new ATOM 0 HE3 LYS A 466 1.874 17.540 -6.411 1.00 13.42 H new ATOM 0 HZ1 LYS A 466 3.459 17.257 -8.186 1.00 40.30 H new ATOM 0 HZ2 LYS A 466 4.249 17.190 -6.684 1.00 40.30 H new ATOM 0 HZ3 LYS A 466 3.957 15.761 -7.554 1.00 40.30 H new ATOM 316 N GLY A 467 -2.354 17.017 -3.505 1.00 24.22 N ATOM 317 CA GLY A 467 -2.709 18.393 -3.308 1.00 1.14 C ATOM 318 C GLY A 467 -2.306 18.845 -1.942 1.00 43.23 C ATOM 319 O GLY A 467 -1.231 19.411 -1.759 1.00 2.42 O ATOM 0 H GLY A 467 -2.540 16.407 -2.709 1.00 24.22 H new ATOM 0 HA2 GLY A 467 -2.222 19.012 -4.061 1.00 1.14 H new ATOM 0 HA3 GLY A 467 -3.784 18.520 -3.438 1.00 1.14 H new ATOM 323 N THR A 468 -3.144 18.585 -0.989 1.00 53.34 N ATOM 324 CA THR A 468 -2.856 18.903 0.388 1.00 45.41 C ATOM 325 C THR A 468 -2.192 17.679 0.987 1.00 34.11 C ATOM 326 O THR A 468 -2.767 16.610 0.891 1.00 0.44 O ATOM 327 CB THR A 468 -4.166 19.180 1.128 1.00 73.32 C ATOM 328 OG1 THR A 468 -4.921 20.156 0.394 1.00 31.21 O ATOM 329 CG2 THR A 468 -3.897 19.711 2.519 1.00 72.24 C ATOM 0 H THR A 468 -4.052 18.145 -1.137 1.00 53.34 H new ATOM 0 HA THR A 468 -2.215 19.781 0.467 1.00 45.41 H new ATOM 0 HB THR A 468 -4.724 18.247 1.211 1.00 73.32 H new ATOM 0 HG1 THR A 468 -5.582 20.571 0.986 1.00 31.21 H new ATOM 0 HG21 THR A 468 -4.843 19.900 3.025 1.00 72.24 H new ATOM 0 HG22 THR A 468 -3.324 18.976 3.084 1.00 72.24 H new ATOM 0 HG23 THR A 468 -3.330 20.639 2.451 1.00 72.24 H new ATOM 337 N GLU A 469 -0.960 17.848 1.561 1.00 24.45 N ATOM 338 CA GLU A 469 -0.114 16.761 2.095 1.00 41.02 C ATOM 339 C GLU A 469 -0.229 15.560 1.155 1.00 15.24 C ATOM 340 O GLU A 469 -0.580 14.425 1.546 1.00 53.14 O ATOM 341 CB GLU A 469 -0.481 16.448 3.568 1.00 10.03 C ATOM 342 CG GLU A 469 0.376 15.389 4.256 1.00 61.40 C ATOM 343 CD GLU A 469 1.815 15.799 4.375 1.00 54.02 C ATOM 344 OE1 GLU A 469 2.140 16.562 5.314 1.00 30.11 O ATOM 345 OE2 GLU A 469 2.650 15.355 3.551 1.00 60.44 O ATOM 0 H GLU A 469 -0.530 18.767 1.661 1.00 24.45 H new ATOM 0 HA GLU A 469 0.934 17.059 2.125 1.00 41.02 H new ATOM 0 HB2 GLU A 469 -0.415 17.372 4.143 1.00 10.03 H new ATOM 0 HB3 GLU A 469 -1.521 16.125 3.603 1.00 10.03 H new ATOM 0 HG2 GLU A 469 -0.025 15.192 5.250 1.00 61.40 H new ATOM 0 HG3 GLU A 469 0.313 14.456 3.696 1.00 61.40 H new ATOM 352 N GLY A 470 0.022 15.858 -0.114 1.00 4.44 N ATOM 353 CA GLY A 470 -0.208 14.940 -1.167 1.00 63.14 C ATOM 354 C GLY A 470 0.435 13.622 -0.972 1.00 13.41 C ATOM 355 O GLY A 470 1.638 13.517 -0.704 1.00 14.44 O ATOM 0 H GLY A 470 0.394 16.757 -0.420 1.00 4.44 H new ATOM 0 HA2 GLY A 470 -1.282 14.795 -1.280 1.00 63.14 H new ATOM 0 HA3 GLY A 470 0.154 15.374 -2.099 1.00 63.14 H new ATOM 359 N LEU A 471 -0.396 12.638 -1.107 1.00 14.04 N ATOM 360 CA LEU A 471 -0.105 11.254 -0.921 1.00 22.02 C ATOM 361 C LEU A 471 0.225 10.976 0.514 1.00 72.44 C ATOM 362 O LEU A 471 1.378 10.790 0.900 1.00 1.10 O ATOM 363 CB LEU A 471 0.934 10.729 -1.901 1.00 74.13 C ATOM 364 CG LEU A 471 0.647 11.055 -3.364 1.00 61.24 C ATOM 365 CD1 LEU A 471 1.767 10.580 -4.238 1.00 61.40 C ATOM 366 CD2 LEU A 471 -0.685 10.463 -3.809 1.00 11.51 C ATOM 0 H LEU A 471 -1.369 12.794 -1.370 1.00 14.04 H new ATOM 0 HA LEU A 471 -1.006 10.687 -1.157 1.00 22.02 H new ATOM 0 HB2 LEU A 471 1.907 11.141 -1.634 1.00 74.13 H new ATOM 0 HB3 LEU A 471 1.005 9.647 -1.790 1.00 74.13 H new ATOM 0 HG LEU A 471 0.574 12.138 -3.462 1.00 61.24 H new ATOM 0 HD11 LEU A 471 1.545 10.821 -5.277 1.00 61.40 H new ATOM 0 HD12 LEU A 471 2.694 11.072 -3.942 1.00 61.40 H new ATOM 0 HD13 LEU A 471 1.879 9.501 -4.132 1.00 61.40 H new ATOM 0 HD21 LEU A 471 -0.862 10.712 -4.855 1.00 11.51 H new ATOM 0 HD22 LEU A 471 -0.658 9.380 -3.693 1.00 11.51 H new ATOM 0 HD23 LEU A 471 -1.488 10.874 -3.197 1.00 11.51 H new ATOM 378 N GLY A 472 -0.813 10.985 1.306 1.00 43.13 N ATOM 379 CA GLY A 472 -0.678 10.809 2.711 1.00 33.14 C ATOM 380 C GLY A 472 -0.819 9.378 3.101 1.00 14.44 C ATOM 381 O GLY A 472 -1.681 9.031 3.884 1.00 33.34 O ATOM 0 H GLY A 472 -1.773 11.115 0.987 1.00 43.13 H new ATOM 0 HA2 GLY A 472 0.295 11.180 3.033 1.00 33.14 H new ATOM 0 HA3 GLY A 472 -1.432 11.403 3.227 1.00 33.14 H new ATOM 385 N PHE A 473 0.004 8.558 2.534 1.00 52.30 N ATOM 386 CA PHE A 473 0.018 7.154 2.829 1.00 31.03 C ATOM 387 C PHE A 473 1.395 6.568 2.665 1.00 3.13 C ATOM 388 O PHE A 473 2.160 6.977 1.787 1.00 11.34 O ATOM 389 CB PHE A 473 -1.059 6.372 2.050 1.00 52.12 C ATOM 390 CG PHE A 473 -1.015 6.500 0.550 1.00 11.01 C ATOM 391 CD1 PHE A 473 -1.571 7.607 -0.076 1.00 34.33 C ATOM 392 CD2 PHE A 473 -0.450 5.504 -0.233 1.00 32.13 C ATOM 393 CE1 PHE A 473 -1.563 7.722 -1.443 1.00 4.01 C ATOM 394 CE2 PHE A 473 -0.439 5.620 -1.607 1.00 11.44 C ATOM 395 CZ PHE A 473 -0.999 6.731 -2.208 1.00 14.43 C ATOM 0 H PHE A 473 0.697 8.844 1.842 1.00 52.30 H new ATOM 0 HA PHE A 473 -0.247 7.048 3.881 1.00 31.03 H new ATOM 0 HB2 PHE A 473 -0.970 5.317 2.307 1.00 52.12 H new ATOM 0 HB3 PHE A 473 -2.039 6.702 2.394 1.00 52.12 H new ATOM 0 HD1 PHE A 473 -2.016 8.389 0.521 1.00 34.33 H new ATOM 0 HD2 PHE A 473 -0.016 4.633 0.236 1.00 32.13 H new ATOM 0 HE1 PHE A 473 -1.999 8.589 -1.916 1.00 4.01 H new ATOM 0 HE2 PHE A 473 0.006 4.844 -2.212 1.00 11.44 H new ATOM 0 HZ PHE A 473 -0.993 6.820 -3.284 1.00 14.43 H new ATOM 405 N SER A 474 1.706 5.656 3.534 1.00 42.41 N ATOM 406 CA SER A 474 2.967 4.969 3.559 1.00 3.12 C ATOM 407 C SER A 474 2.707 3.473 3.603 1.00 50.32 C ATOM 408 O SER A 474 1.577 3.053 3.879 1.00 54.25 O ATOM 409 CB SER A 474 3.784 5.434 4.762 1.00 21.34 C ATOM 410 OG SER A 474 3.049 5.290 5.966 1.00 0.45 O ATOM 0 H SER A 474 1.069 5.357 4.272 1.00 42.41 H new ATOM 0 HA SER A 474 3.544 5.195 2.662 1.00 3.12 H new ATOM 0 HB2 SER A 474 4.706 4.856 4.824 1.00 21.34 H new ATOM 0 HB3 SER A 474 4.070 6.477 4.630 1.00 21.34 H new ATOM 0 HG SER A 474 3.595 5.593 6.721 1.00 0.45 H new ATOM 416 N ILE A 475 3.707 2.669 3.325 1.00 63.13 N ATOM 417 CA ILE A 475 3.527 1.227 3.266 1.00 4.04 C ATOM 418 C ILE A 475 4.426 0.462 4.239 1.00 32.45 C ATOM 419 O ILE A 475 5.504 0.925 4.622 1.00 45.14 O ATOM 420 CB ILE A 475 3.741 0.688 1.846 1.00 71.22 C ATOM 421 CG1 ILE A 475 5.087 1.187 1.286 1.00 62.25 C ATOM 422 CG2 ILE A 475 2.557 1.044 0.935 1.00 0.55 C ATOM 423 CD1 ILE A 475 5.444 0.631 -0.069 1.00 20.14 C ATOM 0 H ILE A 475 4.658 2.985 3.135 1.00 63.13 H new ATOM 0 HA ILE A 475 2.494 1.057 3.569 1.00 4.04 H new ATOM 0 HB ILE A 475 3.785 -0.400 1.883 1.00 71.22 H new ATOM 0 HG12 ILE A 475 5.059 2.275 1.223 1.00 62.25 H new ATOM 0 HG13 ILE A 475 5.878 0.929 1.991 1.00 62.25 H new ATOM 0 HG21 ILE A 475 2.736 0.649 -0.065 1.00 0.55 H new ATOM 0 HG22 ILE A 475 1.643 0.608 1.339 1.00 0.55 H new ATOM 0 HG23 ILE A 475 2.450 2.128 0.884 1.00 0.55 H new ATOM 0 HD11 ILE A 475 6.405 1.035 -0.386 1.00 20.14 H new ATOM 0 HD12 ILE A 475 5.508 -0.456 -0.011 1.00 20.14 H new ATOM 0 HD13 ILE A 475 4.677 0.911 -0.791 1.00 20.14 H new ATOM 435 N THR A 476 3.963 -0.707 4.628 1.00 41.15 N ATOM 436 CA THR A 476 4.685 -1.593 5.501 1.00 33.12 C ATOM 437 C THR A 476 4.566 -3.032 4.985 1.00 63.01 C ATOM 438 O THR A 476 3.521 -3.431 4.451 1.00 3.03 O ATOM 439 CB THR A 476 4.194 -1.503 6.992 1.00 43.32 C ATOM 440 OG1 THR A 476 4.976 -2.378 7.836 1.00 54.23 O ATOM 441 CG2 THR A 476 2.711 -1.868 7.118 1.00 41.55 C ATOM 0 H THR A 476 3.055 -1.071 4.337 1.00 41.15 H new ATOM 0 HA THR A 476 5.730 -1.282 5.495 1.00 33.12 H new ATOM 0 HB THR A 476 4.325 -0.470 7.315 1.00 43.32 H new ATOM 0 HG1 THR A 476 4.659 -2.309 8.761 1.00 54.23 H new ATOM 0 HG21 THR A 476 2.406 -1.795 8.162 1.00 41.55 H new ATOM 0 HG22 THR A 476 2.115 -1.181 6.517 1.00 41.55 H new ATOM 0 HG23 THR A 476 2.556 -2.888 6.765 1.00 41.55 H new ATOM 449 N SER A 477 5.643 -3.763 5.091 1.00 20.11 N ATOM 450 CA SER A 477 5.706 -5.144 4.712 1.00 61.15 C ATOM 451 C SER A 477 6.581 -5.852 5.715 1.00 0.22 C ATOM 452 O SER A 477 7.659 -5.352 6.044 1.00 5.32 O ATOM 453 CB SER A 477 6.317 -5.270 3.316 1.00 21.45 C ATOM 454 OG SER A 477 5.555 -4.543 2.375 1.00 4.44 O ATOM 0 H SER A 477 6.525 -3.401 5.454 1.00 20.11 H new ATOM 0 HA SER A 477 4.708 -5.583 4.694 1.00 61.15 H new ATOM 0 HB2 SER A 477 7.342 -4.900 3.327 1.00 21.45 H new ATOM 0 HB3 SER A 477 6.360 -6.320 3.025 1.00 21.45 H new ATOM 0 HG SER A 477 4.790 -5.083 2.086 1.00 4.44 H new ATOM 460 N ARG A 478 6.139 -6.969 6.233 1.00 44.34 N ATOM 461 CA ARG A 478 6.950 -7.694 7.186 1.00 75.05 C ATOM 462 C ARG A 478 7.206 -9.100 6.705 1.00 4.43 C ATOM 463 O ARG A 478 8.352 -9.471 6.415 1.00 31.44 O ATOM 464 CB ARG A 478 6.309 -7.709 8.584 1.00 25.23 C ATOM 465 CG ARG A 478 6.077 -6.329 9.187 1.00 14.01 C ATOM 466 CD ARG A 478 7.378 -5.561 9.377 1.00 42.42 C ATOM 467 NE ARG A 478 7.141 -4.213 9.910 1.00 31.32 N ATOM 468 CZ ARG A 478 8.101 -3.310 10.166 1.00 10.34 C ATOM 469 NH1 ARG A 478 9.388 -3.619 9.988 1.00 54.11 N ATOM 470 NH2 ARG A 478 7.772 -2.109 10.600 1.00 31.32 N ATOM 0 H ARG A 478 5.237 -7.394 6.018 1.00 44.34 H new ATOM 0 HA ARG A 478 7.904 -7.173 7.267 1.00 75.05 H new ATOM 0 HB2 ARG A 478 5.354 -8.232 8.527 1.00 25.23 H new ATOM 0 HB3 ARG A 478 6.947 -8.283 9.256 1.00 25.23 H new ATOM 0 HG2 ARG A 478 5.411 -5.758 8.540 1.00 14.01 H new ATOM 0 HG3 ARG A 478 5.575 -6.434 10.149 1.00 14.01 H new ATOM 0 HD2 ARG A 478 8.029 -6.111 10.056 1.00 42.42 H new ATOM 0 HD3 ARG A 478 7.900 -5.488 8.423 1.00 42.42 H new ATOM 0 HE ARG A 478 6.176 -3.943 10.100 1.00 31.32 H new ATOM 0 HH11 ARG A 478 9.648 -4.547 9.655 1.00 54.11 H new ATOM 0 HH12 ARG A 478 10.111 -2.927 10.185 1.00 54.11 H new ATOM 0 HH21 ARG A 478 6.791 -1.869 10.740 1.00 31.32 H new ATOM 0 HH22 ARG A 478 8.499 -1.421 10.795 1.00 31.32 H new ATOM 484 N ASP A 479 6.153 -9.874 6.584 1.00 42.03 N ATOM 485 CA ASP A 479 6.279 -11.261 6.201 1.00 41.10 C ATOM 486 C ASP A 479 5.206 -11.626 5.221 1.00 14.12 C ATOM 487 O ASP A 479 4.147 -10.996 5.193 1.00 74.22 O ATOM 488 CB ASP A 479 6.141 -12.191 7.427 1.00 50.41 C ATOM 489 CG ASP A 479 7.175 -11.961 8.506 1.00 74.41 C ATOM 490 OD1 ASP A 479 8.345 -12.359 8.317 1.00 53.24 O ATOM 491 OD2 ASP A 479 6.832 -11.392 9.573 1.00 72.44 O ATOM 0 H ASP A 479 5.195 -9.565 6.746 1.00 42.03 H new ATOM 0 HA ASP A 479 7.265 -11.388 5.754 1.00 41.10 H new ATOM 0 HB2 ASP A 479 5.149 -12.059 7.858 1.00 50.41 H new ATOM 0 HB3 ASP A 479 6.208 -13.226 7.092 1.00 50.41 H new ATOM 496 N VAL A 480 5.497 -12.608 4.388 1.00 34.21 N ATOM 497 CA VAL A 480 4.518 -13.197 3.492 1.00 0.10 C ATOM 498 C VAL A 480 3.276 -13.663 4.269 1.00 62.14 C ATOM 499 O VAL A 480 3.349 -14.515 5.167 1.00 71.32 O ATOM 500 CB VAL A 480 5.128 -14.380 2.665 1.00 42.52 C ATOM 501 CG1 VAL A 480 5.767 -15.433 3.566 1.00 41.31 C ATOM 502 CG2 VAL A 480 4.074 -15.017 1.773 1.00 40.12 C ATOM 0 H VAL A 480 6.426 -13.023 4.313 1.00 34.21 H new ATOM 0 HA VAL A 480 4.215 -12.423 2.787 1.00 0.10 H new ATOM 0 HB VAL A 480 5.913 -13.961 2.036 1.00 42.52 H new ATOM 0 HG11 VAL A 480 6.178 -16.235 2.953 1.00 41.31 H new ATOM 0 HG12 VAL A 480 6.567 -14.976 4.149 1.00 41.31 H new ATOM 0 HG13 VAL A 480 5.014 -15.841 4.240 1.00 41.31 H new ATOM 0 HG21 VAL A 480 4.521 -15.835 1.209 1.00 40.12 H new ATOM 0 HG22 VAL A 480 3.261 -15.402 2.388 1.00 40.12 H new ATOM 0 HG23 VAL A 480 3.683 -14.271 1.081 1.00 40.12 H new ATOM 512 N THR A 481 2.166 -13.077 3.953 1.00 60.45 N ATOM 513 CA THR A 481 0.928 -13.393 4.592 1.00 33.10 C ATOM 514 C THR A 481 -0.160 -13.654 3.579 1.00 50.43 C ATOM 515 O THR A 481 -0.481 -14.803 3.264 1.00 3.25 O ATOM 516 CB THR A 481 0.524 -12.273 5.589 1.00 62.45 C ATOM 517 OG1 THR A 481 0.684 -10.982 4.954 1.00 73.30 O ATOM 518 CG2 THR A 481 1.370 -12.327 6.856 1.00 60.44 C ATOM 0 H THR A 481 2.092 -12.356 3.235 1.00 60.45 H new ATOM 0 HA THR A 481 1.065 -14.312 5.161 1.00 33.10 H new ATOM 0 HB THR A 481 -0.518 -12.425 5.870 1.00 62.45 H new ATOM 0 HG1 THR A 481 0.338 -10.281 5.546 1.00 73.30 H new ATOM 0 HG21 THR A 481 1.062 -11.530 7.533 1.00 60.44 H new ATOM 0 HG22 THR A 481 1.232 -13.292 7.345 1.00 60.44 H new ATOM 0 HG23 THR A 481 2.421 -12.198 6.598 1.00 60.44 H new ATOM 526 N ILE A 482 -0.668 -12.606 3.054 1.00 22.32 N ATOM 527 CA ILE A 482 -1.739 -12.661 2.074 1.00 74.34 C ATOM 528 C ILE A 482 -1.154 -12.663 0.668 1.00 73.32 C ATOM 529 O ILE A 482 -1.583 -13.425 -0.194 1.00 42.43 O ATOM 530 CB ILE A 482 -2.710 -11.450 2.219 1.00 15.52 C ATOM 531 CG1 ILE A 482 -3.276 -11.379 3.646 1.00 22.44 C ATOM 532 CG2 ILE A 482 -3.850 -11.546 1.200 1.00 34.02 C ATOM 533 CD1 ILE A 482 -4.179 -10.184 3.896 1.00 24.45 C ATOM 0 H ILE A 482 -0.363 -11.659 3.281 1.00 22.32 H new ATOM 0 HA ILE A 482 -2.301 -13.578 2.250 1.00 74.34 H new ATOM 0 HB ILE A 482 -2.147 -10.538 2.023 1.00 15.52 H new ATOM 0 HG12 ILE A 482 -3.835 -12.292 3.849 1.00 22.44 H new ATOM 0 HG13 ILE A 482 -2.447 -11.349 4.353 1.00 22.44 H new ATOM 0 HG21 ILE A 482 -4.516 -10.691 1.318 1.00 34.02 H new ATOM 0 HG22 ILE A 482 -3.437 -11.548 0.191 1.00 34.02 H new ATOM 0 HG23 ILE A 482 -4.409 -12.467 1.365 1.00 34.02 H new ATOM 0 HD11 ILE A 482 -4.537 -10.207 4.925 1.00 24.45 H new ATOM 0 HD12 ILE A 482 -3.620 -9.264 3.727 1.00 24.45 H new ATOM 0 HD13 ILE A 482 -5.030 -10.222 3.215 1.00 24.45 H new ATOM 545 N GLY A 483 -0.170 -11.819 0.456 1.00 51.42 N ATOM 546 CA GLY A 483 0.435 -11.707 -0.848 1.00 61.11 C ATOM 547 C GLY A 483 1.688 -12.539 -0.988 1.00 73.10 C ATOM 548 O GLY A 483 1.819 -13.581 -0.339 1.00 75.10 O ATOM 0 H GLY A 483 0.226 -11.204 1.167 1.00 51.42 H new ATOM 0 HA2 GLY A 483 -0.286 -12.015 -1.605 1.00 61.11 H new ATOM 0 HA3 GLY A 483 0.675 -10.662 -1.043 1.00 61.11 H new ATOM 552 N GLY A 484 2.610 -12.071 -1.828 1.00 62.40 N ATOM 553 CA GLY A 484 3.856 -12.777 -2.076 1.00 22.51 C ATOM 554 C GLY A 484 4.833 -12.672 -0.919 1.00 75.44 C ATOM 555 O GLY A 484 4.433 -12.333 0.195 1.00 74.51 O ATOM 0 H GLY A 484 2.512 -11.200 -2.349 1.00 62.40 H new ATOM 0 HA2 GLY A 484 3.640 -13.828 -2.269 1.00 22.51 H new ATOM 0 HA3 GLY A 484 4.322 -12.377 -2.976 1.00 22.51 H new ATOM 559 N SER A 485 6.128 -12.920 -1.203 1.00 20.14 N ATOM 560 CA SER A 485 7.204 -12.938 -0.189 1.00 60.23 C ATOM 561 C SER A 485 7.140 -11.754 0.783 1.00 62.51 C ATOM 562 O SER A 485 7.370 -11.908 1.990 1.00 32.34 O ATOM 563 CB SER A 485 8.559 -12.977 -0.876 1.00 32.54 C ATOM 564 OG SER A 485 8.680 -14.137 -1.687 1.00 72.10 O ATOM 0 H SER A 485 6.459 -13.115 -2.148 1.00 20.14 H new ATOM 0 HA SER A 485 7.059 -13.838 0.409 1.00 60.23 H new ATOM 0 HB2 SER A 485 8.687 -12.085 -1.489 1.00 32.54 H new ATOM 0 HB3 SER A 485 9.352 -12.967 -0.128 1.00 32.54 H new ATOM 0 HG SER A 485 9.558 -14.142 -2.122 1.00 72.10 H new ATOM 570 N ALA A 486 6.834 -10.595 0.265 1.00 31.42 N ATOM 571 CA ALA A 486 6.649 -9.433 1.080 1.00 12.03 C ATOM 572 C ALA A 486 5.509 -8.619 0.503 1.00 12.45 C ATOM 573 O ALA A 486 5.687 -7.907 -0.477 1.00 11.42 O ATOM 574 CB ALA A 486 7.915 -8.593 1.158 1.00 50.44 C ATOM 0 H ALA A 486 6.707 -10.434 -0.734 1.00 31.42 H new ATOM 0 HA ALA A 486 6.413 -9.747 2.097 1.00 12.03 H new ATOM 0 HB1 ALA A 486 7.734 -7.720 1.785 1.00 50.44 H new ATOM 0 HB2 ALA A 486 8.721 -9.188 1.588 1.00 50.44 H new ATOM 0 HB3 ALA A 486 8.198 -8.268 0.157 1.00 50.44 H new ATOM 580 N PRO A 487 4.307 -8.767 1.045 1.00 63.13 N ATOM 581 CA PRO A 487 3.156 -8.045 0.564 1.00 70.20 C ATOM 582 C PRO A 487 3.155 -6.609 1.066 1.00 41.32 C ATOM 583 O PRO A 487 3.490 -6.336 2.221 1.00 3.10 O ATOM 584 CB PRO A 487 1.959 -8.829 1.124 1.00 25.55 C ATOM 585 CG PRO A 487 2.545 -9.995 1.870 1.00 35.14 C ATOM 586 CD PRO A 487 3.968 -9.639 2.162 1.00 61.22 C ATOM 0 HA PRO A 487 3.136 -7.974 -0.523 1.00 70.20 H new ATOM 0 HB2 PRO A 487 1.357 -8.205 1.785 1.00 25.55 H new ATOM 0 HB3 PRO A 487 1.304 -9.168 0.322 1.00 25.55 H new ATOM 0 HG2 PRO A 487 1.995 -10.182 2.792 1.00 35.14 H new ATOM 0 HG3 PRO A 487 2.487 -10.906 1.274 1.00 35.14 H new ATOM 0 HD2 PRO A 487 4.071 -9.130 3.121 1.00 61.22 H new ATOM 0 HD3 PRO A 487 4.608 -10.520 2.198 1.00 61.22 H new ATOM 594 N ILE A 488 2.797 -5.708 0.206 1.00 43.42 N ATOM 595 CA ILE A 488 2.797 -4.302 0.518 1.00 10.02 C ATOM 596 C ILE A 488 1.462 -3.910 1.176 1.00 72.43 C ATOM 597 O ILE A 488 0.401 -4.104 0.590 1.00 64.21 O ATOM 598 CB ILE A 488 3.001 -3.478 -0.781 1.00 41.32 C ATOM 599 CG1 ILE A 488 4.301 -3.889 -1.517 1.00 33.24 C ATOM 600 CG2 ILE A 488 3.013 -2.000 -0.487 1.00 25.01 C ATOM 601 CD1 ILE A 488 5.584 -3.662 -0.735 1.00 42.44 C ATOM 0 H ILE A 488 2.493 -5.924 -0.743 1.00 43.42 H new ATOM 0 HA ILE A 488 3.611 -4.091 1.211 1.00 10.02 H new ATOM 0 HB ILE A 488 2.158 -3.695 -1.437 1.00 41.32 H new ATOM 0 HG12 ILE A 488 4.234 -4.945 -1.777 1.00 33.24 H new ATOM 0 HG13 ILE A 488 4.361 -3.334 -2.453 1.00 33.24 H new ATOM 0 HG21 ILE A 488 3.157 -1.446 -1.414 1.00 25.01 H new ATOM 0 HG22 ILE A 488 2.064 -1.711 -0.036 1.00 25.01 H new ATOM 0 HG23 ILE A 488 3.826 -1.773 0.202 1.00 25.01 H new ATOM 0 HD11 ILE A 488 6.437 -3.981 -1.335 1.00 42.44 H new ATOM 0 HD12 ILE A 488 5.683 -2.603 -0.498 1.00 42.44 H new ATOM 0 HD13 ILE A 488 5.554 -4.240 0.189 1.00 42.44 H new ATOM 613 N TYR A 489 1.513 -3.393 2.388 1.00 52.13 N ATOM 614 CA TYR A 489 0.304 -2.983 3.102 1.00 74.44 C ATOM 615 C TYR A 489 0.373 -1.524 3.451 1.00 60.42 C ATOM 616 O TYR A 489 1.457 -0.994 3.644 1.00 54.34 O ATOM 617 CB TYR A 489 0.108 -3.808 4.384 1.00 23.22 C ATOM 618 CG TYR A 489 -0.054 -5.273 4.125 1.00 32.25 C ATOM 619 CD1 TYR A 489 -1.245 -5.762 3.645 1.00 5.22 C ATOM 620 CD2 TYR A 489 0.985 -6.161 4.334 1.00 72.11 C ATOM 621 CE1 TYR A 489 -1.410 -7.094 3.374 1.00 72.23 C ATOM 622 CE2 TYR A 489 0.830 -7.499 4.061 1.00 32.44 C ATOM 623 CZ TYR A 489 -0.376 -7.960 3.578 1.00 42.44 C ATOM 624 OH TYR A 489 -0.536 -9.297 3.291 1.00 15.52 O ATOM 0 H TYR A 489 2.379 -3.244 2.906 1.00 52.13 H new ATOM 0 HA TYR A 489 -0.546 -3.159 2.442 1.00 74.44 H new ATOM 0 HB2 TYR A 489 0.964 -3.655 5.041 1.00 23.22 H new ATOM 0 HB3 TYR A 489 -0.771 -3.440 4.914 1.00 23.22 H new ATOM 0 HD1 TYR A 489 -2.067 -5.082 3.478 1.00 5.22 H new ATOM 0 HD2 TYR A 489 1.928 -5.799 4.716 1.00 72.11 H new ATOM 0 HE1 TYR A 489 -2.356 -7.458 3.000 1.00 72.23 H new ATOM 0 HE2 TYR A 489 1.648 -8.185 4.224 1.00 32.44 H new ATOM 0 HH TYR A 489 0.135 -9.819 3.779 1.00 15.52 H new ATOM 634 N VAL A 490 -0.770 -0.872 3.523 1.00 24.10 N ATOM 635 CA VAL A 490 -0.807 0.531 3.893 1.00 70.02 C ATOM 636 C VAL A 490 -0.494 0.659 5.381 1.00 35.12 C ATOM 637 O VAL A 490 -1.212 0.118 6.232 1.00 51.50 O ATOM 638 CB VAL A 490 -2.177 1.183 3.600 1.00 75.21 C ATOM 639 CG1 VAL A 490 -2.138 2.675 3.896 1.00 72.33 C ATOM 640 CG2 VAL A 490 -2.611 0.933 2.166 1.00 23.14 C ATOM 0 H VAL A 490 -1.682 -1.287 3.332 1.00 24.10 H new ATOM 0 HA VAL A 490 -0.063 1.053 3.291 1.00 70.02 H new ATOM 0 HB VAL A 490 -2.913 0.720 4.258 1.00 75.21 H new ATOM 0 HG11 VAL A 490 -3.113 3.114 3.683 1.00 72.33 H new ATOM 0 HG12 VAL A 490 -1.892 2.831 4.946 1.00 72.33 H new ATOM 0 HG13 VAL A 490 -1.382 3.150 3.271 1.00 72.33 H new ATOM 0 HG21 VAL A 490 -3.578 1.404 1.991 1.00 23.14 H new ATOM 0 HG22 VAL A 490 -1.873 1.355 1.484 1.00 23.14 H new ATOM 0 HG23 VAL A 490 -2.694 -0.140 1.993 1.00 23.14 H new ATOM 650 N LYS A 491 0.556 1.369 5.670 1.00 44.53 N ATOM 651 CA LYS A 491 1.065 1.532 7.009 1.00 72.34 C ATOM 652 C LYS A 491 0.345 2.650 7.727 1.00 50.10 C ATOM 653 O LYS A 491 -0.251 2.441 8.779 1.00 33.25 O ATOM 654 CB LYS A 491 2.552 1.870 6.932 1.00 45.20 C ATOM 655 CG LYS A 491 3.242 2.032 8.221 1.00 5.44 C ATOM 656 CD LYS A 491 4.663 2.408 7.960 1.00 2.50 C ATOM 657 CE LYS A 491 5.470 2.234 9.178 1.00 50.25 C ATOM 658 NZ LYS A 491 6.880 2.619 8.978 1.00 32.41 N ATOM 0 H LYS A 491 1.100 1.866 4.965 1.00 44.53 H new ATOM 0 HA LYS A 491 0.907 0.605 7.560 1.00 72.34 H new ATOM 0 HB2 LYS A 491 3.055 1.084 6.369 1.00 45.20 H new ATOM 0 HB3 LYS A 491 2.666 2.792 6.362 1.00 45.20 H new ATOM 0 HG2 LYS A 491 2.751 2.801 8.818 1.00 5.44 H new ATOM 0 HG3 LYS A 491 3.195 1.106 8.793 1.00 5.44 H new ATOM 0 HD2 LYS A 491 5.067 1.792 7.157 1.00 2.50 H new ATOM 0 HD3 LYS A 491 4.716 3.444 7.625 1.00 2.50 H new ATOM 0 HE2 LYS A 491 5.043 2.833 9.982 1.00 50.25 H new ATOM 0 HE3 LYS A 491 5.422 1.193 9.497 1.00 50.25 H new ATOM 0 HZ1 LYS A 491 7.407 2.479 9.863 1.00 32.41 H new ATOM 0 HZ2 LYS A 491 7.298 2.030 8.229 1.00 32.41 H new ATOM 0 HZ3 LYS A 491 6.930 3.620 8.700 1.00 32.41 H new ATOM 672 N ASN A 492 0.391 3.820 7.151 1.00 21.34 N ATOM 673 CA ASN A 492 -0.159 4.995 7.794 1.00 55.43 C ATOM 674 C ASN A 492 -0.925 5.806 6.797 1.00 20.41 C ATOM 675 O ASN A 492 -0.630 5.781 5.595 1.00 14.40 O ATOM 676 CB ASN A 492 0.967 5.875 8.364 1.00 51.54 C ATOM 677 CG ASN A 492 0.461 7.050 9.211 1.00 44.40 C ATOM 678 OD1 ASN A 492 -0.567 6.956 9.884 1.00 71.10 O ATOM 679 ND2 ASN A 492 1.167 8.159 9.175 1.00 71.51 N ATOM 0 H ASN A 492 0.804 3.991 6.234 1.00 21.34 H new ATOM 0 HA ASN A 492 -0.813 4.665 8.601 1.00 55.43 H new ATOM 0 HB2 ASN A 492 1.627 5.257 8.973 1.00 51.54 H new ATOM 0 HB3 ASN A 492 1.565 6.263 7.540 1.00 51.54 H new ATOM 0 HD21 ASN A 492 0.868 8.972 9.714 1.00 71.51 H new ATOM 0 HD22 ASN A 492 2.014 8.206 8.608 1.00 71.51 H new ATOM 686 N ILE A 493 -1.886 6.508 7.292 1.00 12.44 N ATOM 687 CA ILE A 493 -2.680 7.414 6.538 1.00 12.32 C ATOM 688 C ILE A 493 -2.573 8.773 7.185 1.00 24.51 C ATOM 689 O ILE A 493 -3.074 8.982 8.292 1.00 52.24 O ATOM 690 CB ILE A 493 -4.166 6.942 6.501 1.00 1.41 C ATOM 691 CG1 ILE A 493 -4.317 5.678 5.667 1.00 2.53 C ATOM 692 CG2 ILE A 493 -5.121 8.017 6.019 1.00 74.24 C ATOM 693 CD1 ILE A 493 -3.965 5.842 4.206 1.00 53.25 C ATOM 0 H ILE A 493 -2.151 6.464 8.276 1.00 12.44 H new ATOM 0 HA ILE A 493 -2.324 7.457 5.509 1.00 12.32 H new ATOM 0 HB ILE A 493 -4.440 6.720 7.532 1.00 1.41 H new ATOM 0 HG12 ILE A 493 -3.685 4.899 6.094 1.00 2.53 H new ATOM 0 HG13 ILE A 493 -5.347 5.330 5.742 1.00 2.53 H new ATOM 0 HG21 ILE A 493 -6.138 7.625 6.016 1.00 74.24 H new ATOM 0 HG22 ILE A 493 -5.065 8.878 6.685 1.00 74.24 H new ATOM 0 HG23 ILE A 493 -4.847 8.321 5.009 1.00 74.24 H new ATOM 0 HD11 ILE A 493 -4.102 4.892 3.690 1.00 53.25 H new ATOM 0 HD12 ILE A 493 -4.613 6.595 3.758 1.00 53.25 H new ATOM 0 HD13 ILE A 493 -2.926 6.158 4.115 1.00 53.25 H new ATOM 705 N LEU A 494 -1.851 9.656 6.539 1.00 60.24 N ATOM 706 CA LEU A 494 -1.745 11.027 6.990 1.00 34.53 C ATOM 707 C LEU A 494 -3.127 11.683 6.919 1.00 72.10 C ATOM 708 O LEU A 494 -3.666 11.915 5.825 1.00 63.21 O ATOM 709 CB LEU A 494 -0.696 11.846 6.183 1.00 62.25 C ATOM 710 CG LEU A 494 0.813 11.513 6.384 1.00 71.53 C ATOM 711 CD1 LEU A 494 1.224 11.703 7.830 1.00 60.01 C ATOM 712 CD2 LEU A 494 1.174 10.109 5.903 1.00 75.04 C ATOM 0 H LEU A 494 -1.323 9.449 5.691 1.00 60.24 H new ATOM 0 HA LEU A 494 -1.390 11.019 8.021 1.00 34.53 H new ATOM 0 HB2 LEU A 494 -0.925 11.727 5.124 1.00 62.25 H new ATOM 0 HB3 LEU A 494 -0.839 12.899 6.424 1.00 62.25 H new ATOM 0 HG LEU A 494 1.371 12.216 5.766 1.00 71.53 H new ATOM 0 HD11 LEU A 494 2.282 11.464 7.942 1.00 60.01 H new ATOM 0 HD12 LEU A 494 1.053 12.739 8.124 1.00 60.01 H new ATOM 0 HD13 LEU A 494 0.633 11.043 8.466 1.00 60.01 H new ATOM 0 HD21 LEU A 494 2.237 9.930 6.067 1.00 75.04 H new ATOM 0 HD22 LEU A 494 0.592 9.373 6.459 1.00 75.04 H new ATOM 0 HD23 LEU A 494 0.951 10.020 4.840 1.00 75.04 H new ATOM 724 N PRO A 495 -3.685 12.035 8.088 1.00 34.54 N ATOM 725 CA PRO A 495 -5.091 12.532 8.253 1.00 22.41 C ATOM 726 C PRO A 495 -5.254 13.969 7.810 1.00 14.21 C ATOM 727 O PRO A 495 -6.106 14.703 8.315 1.00 61.40 O ATOM 728 CB PRO A 495 -5.227 12.480 9.763 1.00 11.21 C ATOM 729 CG PRO A 495 -3.877 12.854 10.224 1.00 14.41 C ATOM 730 CD PRO A 495 -2.982 12.022 9.390 1.00 61.00 C ATOM 0 HA PRO A 495 -5.815 11.960 7.673 1.00 22.41 H new ATOM 0 HB2 PRO A 495 -5.985 13.174 10.125 1.00 11.21 H new ATOM 0 HB3 PRO A 495 -5.512 11.487 10.110 1.00 11.21 H new ATOM 0 HG2 PRO A 495 -3.685 13.917 10.081 1.00 14.41 H new ATOM 0 HG3 PRO A 495 -3.744 12.646 11.286 1.00 14.41 H new ATOM 0 HD2 PRO A 495 -1.980 12.445 9.318 1.00 61.00 H new ATOM 0 HD3 PRO A 495 -2.874 11.013 9.787 1.00 61.00 H new ATOM 738 N ARG A 496 -4.464 14.353 6.881 1.00 71.11 N ATOM 739 CA ARG A 496 -4.438 15.702 6.429 1.00 33.13 C ATOM 740 C ARG A 496 -3.940 15.817 4.993 1.00 53.45 C ATOM 741 O ARG A 496 -3.811 16.921 4.461 1.00 5.44 O ATOM 742 CB ARG A 496 -3.547 16.497 7.331 1.00 12.42 C ATOM 743 CG ARG A 496 -2.189 15.839 7.524 1.00 41.54 C ATOM 744 CD ARG A 496 -1.188 16.753 8.207 1.00 21.10 C ATOM 745 NE ARG A 496 -1.581 17.169 9.558 1.00 23.24 N ATOM 746 CZ ARG A 496 -0.855 18.007 10.314 1.00 30.13 C ATOM 747 NH1 ARG A 496 0.279 18.523 9.839 1.00 3.03 N ATOM 748 NH2 ARG A 496 -1.263 18.331 11.529 1.00 14.33 N ATOM 0 H ARG A 496 -3.807 13.737 6.403 1.00 71.11 H new ATOM 0 HA ARG A 496 -5.457 16.087 6.453 1.00 33.13 H new ATOM 0 HB2 ARG A 496 -3.409 17.495 6.915 1.00 12.42 H new ATOM 0 HB3 ARG A 496 -4.030 16.620 8.300 1.00 12.42 H new ATOM 0 HG2 ARG A 496 -2.310 14.932 8.116 1.00 41.54 H new ATOM 0 HG3 ARG A 496 -1.795 15.536 6.554 1.00 41.54 H new ATOM 0 HD2 ARG A 496 -0.225 16.244 8.261 1.00 21.10 H new ATOM 0 HD3 ARG A 496 -1.045 17.642 7.592 1.00 21.10 H new ATOM 0 HE ARG A 496 -2.452 16.802 9.943 1.00 23.24 H new ATOM 0 HH11 ARG A 496 0.596 18.281 8.900 1.00 3.03 H new ATOM 0 HH12 ARG A 496 0.830 19.160 10.415 1.00 3.03 H new ATOM 0 HH21 ARG A 496 -2.133 17.944 11.895 1.00 14.33 H new ATOM 0 HH22 ARG A 496 -0.708 18.968 12.100 1.00 14.33 H new ATOM 762 N GLY A 497 -3.651 14.687 4.373 1.00 3.31 N ATOM 763 CA GLY A 497 -3.158 14.736 2.998 1.00 54.33 C ATOM 764 C GLY A 497 -4.076 14.138 1.963 1.00 75.40 C ATOM 765 O GLY A 497 -5.282 14.205 2.123 1.00 55.34 O ATOM 0 H GLY A 497 -3.742 13.754 4.776 1.00 3.31 H new ATOM 0 HA2 GLY A 497 -2.969 15.777 2.734 1.00 54.33 H new ATOM 0 HA3 GLY A 497 -2.201 14.217 2.954 1.00 54.33 H new ATOM 769 N ALA A 498 -3.516 13.519 0.884 1.00 15.31 N ATOM 770 CA ALA A 498 -4.346 13.058 -0.210 1.00 60.54 C ATOM 771 C ALA A 498 -5.353 12.053 0.278 1.00 63.51 C ATOM 772 O ALA A 498 -6.516 12.090 -0.103 1.00 51.21 O ATOM 773 CB ALA A 498 -3.518 12.432 -1.298 1.00 42.12 C ATOM 0 H ALA A 498 -2.518 13.342 0.772 1.00 15.31 H new ATOM 0 HA ALA A 498 -4.862 13.929 -0.615 1.00 60.54 H new ATOM 0 HB1 ALA A 498 -4.170 12.096 -2.104 1.00 42.12 H new ATOM 0 HB2 ALA A 498 -2.811 13.166 -1.685 1.00 42.12 H new ATOM 0 HB3 ALA A 498 -2.972 11.579 -0.895 1.00 42.12 H new ATOM 779 N ALA A 499 -4.889 11.174 1.176 1.00 15.11 N ATOM 780 CA ALA A 499 -5.701 10.095 1.688 1.00 3.32 C ATOM 781 C ALA A 499 -6.981 10.581 2.348 1.00 22.01 C ATOM 782 O ALA A 499 -7.994 9.952 2.208 1.00 32.11 O ATOM 783 CB ALA A 499 -4.902 9.210 2.616 1.00 62.44 C ATOM 0 H ALA A 499 -3.944 11.202 1.558 1.00 15.11 H new ATOM 0 HA ALA A 499 -6.009 9.499 0.829 1.00 3.32 H new ATOM 0 HB1 ALA A 499 -5.537 8.406 2.988 1.00 62.44 H new ATOM 0 HB2 ALA A 499 -4.057 8.785 2.075 1.00 62.44 H new ATOM 0 HB3 ALA A 499 -4.535 9.800 3.456 1.00 62.44 H new ATOM 789 N ILE A 500 -6.927 11.696 3.061 1.00 41.12 N ATOM 790 CA ILE A 500 -8.134 12.250 3.684 1.00 62.04 C ATOM 791 C ILE A 500 -8.982 13.027 2.691 1.00 31.50 C ATOM 792 O ILE A 500 -10.207 12.997 2.760 1.00 65.12 O ATOM 793 CB ILE A 500 -7.830 13.104 4.925 1.00 4.45 C ATOM 794 CG1 ILE A 500 -9.111 13.581 5.601 1.00 3.10 C ATOM 795 CG2 ILE A 500 -6.956 14.285 4.579 1.00 61.22 C ATOM 796 CD1 ILE A 500 -8.856 14.411 6.821 1.00 54.55 C ATOM 0 H ILE A 500 -6.076 12.234 3.225 1.00 41.12 H new ATOM 0 HA ILE A 500 -8.711 11.389 4.022 1.00 62.04 H new ATOM 0 HB ILE A 500 -7.289 12.468 5.625 1.00 4.45 H new ATOM 0 HG12 ILE A 500 -9.696 14.163 4.889 1.00 3.10 H new ATOM 0 HG13 ILE A 500 -9.713 12.716 5.877 1.00 3.10 H new ATOM 0 HG21 ILE A 500 -6.760 14.868 5.479 1.00 61.22 H new ATOM 0 HG22 ILE A 500 -6.013 13.930 4.164 1.00 61.22 H new ATOM 0 HG23 ILE A 500 -7.463 14.910 3.845 1.00 61.22 H new ATOM 0 HD11 ILE A 500 -9.806 14.720 7.256 1.00 54.55 H new ATOM 0 HD12 ILE A 500 -8.297 13.824 7.550 1.00 54.55 H new ATOM 0 HD13 ILE A 500 -8.279 15.294 6.546 1.00 54.55 H new ATOM 808 N GLN A 501 -8.320 13.714 1.762 1.00 11.42 N ATOM 809 CA GLN A 501 -9.006 14.492 0.740 1.00 73.35 C ATOM 810 C GLN A 501 -9.914 13.603 -0.072 1.00 3.24 C ATOM 811 O GLN A 501 -11.089 13.915 -0.280 1.00 71.54 O ATOM 812 CB GLN A 501 -8.003 15.201 -0.177 1.00 13.35 C ATOM 813 CG GLN A 501 -7.200 16.323 0.481 1.00 3.00 C ATOM 814 CD GLN A 501 -8.045 17.545 0.842 1.00 12.45 C ATOM 815 OE1 GLN A 501 -9.240 17.447 1.147 1.00 31.51 O ATOM 816 NE2 GLN A 501 -7.444 18.703 0.789 1.00 40.02 N ATOM 0 H GLN A 501 -7.302 13.746 1.699 1.00 11.42 H new ATOM 0 HA GLN A 501 -9.607 15.252 1.240 1.00 73.35 H new ATOM 0 HB2 GLN A 501 -7.307 14.460 -0.569 1.00 13.35 H new ATOM 0 HB3 GLN A 501 -8.543 15.614 -1.029 1.00 13.35 H new ATOM 0 HG2 GLN A 501 -6.726 15.939 1.384 1.00 3.00 H new ATOM 0 HG3 GLN A 501 -6.400 16.630 -0.193 1.00 3.00 H new ATOM 0 HE21 GLN A 501 -6.458 18.754 0.535 1.00 40.02 H new ATOM 0 HE22 GLN A 501 -7.961 19.556 1.002 1.00 40.02 H new ATOM 825 N ASP A 502 -9.395 12.484 -0.495 1.00 24.22 N ATOM 826 CA ASP A 502 -10.190 11.552 -1.265 1.00 24.02 C ATOM 827 C ASP A 502 -10.886 10.578 -0.349 1.00 21.13 C ATOM 828 O ASP A 502 -11.958 10.071 -0.672 1.00 3.23 O ATOM 829 CB ASP A 502 -9.374 10.836 -2.320 1.00 32.41 C ATOM 830 CG ASP A 502 -8.819 11.784 -3.381 1.00 12.31 C ATOM 831 OD1 ASP A 502 -9.584 12.166 -4.307 1.00 72.34 O ATOM 832 OD2 ASP A 502 -7.618 12.147 -3.321 1.00 25.01 O ATOM 0 H ASP A 502 -8.433 12.191 -0.324 1.00 24.22 H new ATOM 0 HA ASP A 502 -10.947 12.126 -1.800 1.00 24.02 H new ATOM 0 HB2 ASP A 502 -8.548 10.311 -1.840 1.00 32.41 H new ATOM 0 HB3 ASP A 502 -9.994 10.081 -2.802 1.00 32.41 H new ATOM 837 N GLY A 503 -10.263 10.285 0.791 1.00 12.52 N ATOM 838 CA GLY A 503 -10.917 9.525 1.829 1.00 42.23 C ATOM 839 C GLY A 503 -11.058 8.015 1.635 1.00 52.00 C ATOM 840 O GLY A 503 -11.197 7.286 2.621 1.00 11.31 O ATOM 0 H GLY A 503 -9.307 10.567 1.010 1.00 12.52 H new ATOM 0 HA2 GLY A 503 -10.373 9.692 2.758 1.00 42.23 H new ATOM 0 HA3 GLY A 503 -11.916 9.938 1.966 1.00 42.23 H new ATOM 844 N ARG A 504 -11.031 7.545 0.409 1.00 64.44 N ATOM 845 CA ARG A 504 -11.294 6.119 0.105 1.00 5.32 C ATOM 846 C ARG A 504 -10.209 5.158 0.635 1.00 74.53 C ATOM 847 O ARG A 504 -10.442 3.946 0.755 1.00 54.45 O ATOM 848 CB ARG A 504 -11.465 5.912 -1.404 1.00 13.13 C ATOM 849 CG ARG A 504 -12.595 6.708 -2.042 1.00 13.22 C ATOM 850 CD ARG A 504 -12.696 6.417 -3.540 1.00 40.20 C ATOM 851 NE ARG A 504 -13.007 5.003 -3.809 1.00 70.45 N ATOM 852 CZ ARG A 504 -12.698 4.332 -4.932 1.00 11.45 C ATOM 853 NH1 ARG A 504 -12.048 4.934 -5.928 1.00 60.13 N ATOM 854 NH2 ARG A 504 -13.061 3.059 -5.052 1.00 3.02 N ATOM 0 H ARG A 504 -10.830 8.117 -0.412 1.00 64.44 H new ATOM 0 HA ARG A 504 -12.218 5.873 0.629 1.00 5.32 H new ATOM 0 HB2 ARG A 504 -10.531 6.176 -1.899 1.00 13.13 H new ATOM 0 HB3 ARG A 504 -11.637 4.852 -1.592 1.00 13.13 H new ATOM 0 HG2 ARG A 504 -13.538 6.460 -1.556 1.00 13.22 H new ATOM 0 HG3 ARG A 504 -12.427 7.774 -1.886 1.00 13.22 H new ATOM 0 HD2 ARG A 504 -13.468 7.048 -3.980 1.00 40.20 H new ATOM 0 HD3 ARG A 504 -11.755 6.680 -4.024 1.00 40.20 H new ATOM 0 HE ARG A 504 -13.500 4.488 -3.080 1.00 70.45 H new ATOM 0 HH11 ARG A 504 -11.780 5.914 -5.843 1.00 60.13 H new ATOM 0 HH12 ARG A 504 -11.819 4.414 -6.775 1.00 60.13 H new ATOM 0 HH21 ARG A 504 -13.569 2.600 -4.296 1.00 3.02 H new ATOM 0 HH22 ARG A 504 -12.831 2.541 -5.900 1.00 3.02 H new ATOM 868 N LEU A 505 -9.055 5.679 0.957 1.00 14.31 N ATOM 869 CA LEU A 505 -7.938 4.838 1.354 1.00 31.44 C ATOM 870 C LEU A 505 -7.748 4.831 2.869 1.00 65.11 C ATOM 871 O LEU A 505 -7.746 5.888 3.504 1.00 53.03 O ATOM 872 CB LEU A 505 -6.658 5.322 0.667 1.00 42.15 C ATOM 873 CG LEU A 505 -5.405 4.471 0.884 1.00 52.41 C ATOM 874 CD1 LEU A 505 -5.628 3.052 0.395 1.00 62.11 C ATOM 875 CD2 LEU A 505 -4.225 5.090 0.175 1.00 11.11 C ATOM 0 H LEU A 505 -8.856 6.679 0.955 1.00 14.31 H new ATOM 0 HA LEU A 505 -8.158 3.817 1.044 1.00 31.44 H new ATOM 0 HB2 LEU A 505 -6.848 5.383 -0.405 1.00 42.15 H new ATOM 0 HB3 LEU A 505 -6.447 6.334 1.012 1.00 42.15 H new ATOM 0 HG LEU A 505 -5.194 4.435 1.953 1.00 52.41 H new ATOM 0 HD11 LEU A 505 -4.725 2.464 0.559 1.00 62.11 H new ATOM 0 HD12 LEU A 505 -6.457 2.604 0.944 1.00 62.11 H new ATOM 0 HD13 LEU A 505 -5.863 3.067 -0.669 1.00 62.11 H new ATOM 0 HD21 LEU A 505 -3.340 4.475 0.337 1.00 11.11 H new ATOM 0 HD22 LEU A 505 -4.434 5.151 -0.893 1.00 11.11 H new ATOM 0 HD23 LEU A 505 -4.048 6.091 0.568 1.00 11.11 H new ATOM 887 N LYS A 506 -7.594 3.644 3.444 1.00 51.10 N ATOM 888 CA LYS A 506 -7.335 3.508 4.861 1.00 22.23 C ATOM 889 C LYS A 506 -6.244 2.497 5.181 1.00 34.05 C ATOM 890 O LYS A 506 -6.073 1.493 4.482 1.00 62.35 O ATOM 891 CB LYS A 506 -8.618 3.342 5.726 1.00 42.23 C ATOM 892 CG LYS A 506 -9.700 2.382 5.196 1.00 32.51 C ATOM 893 CD LYS A 506 -9.269 0.926 5.050 1.00 31.52 C ATOM 894 CE LYS A 506 -8.911 0.263 6.369 1.00 50.14 C ATOM 895 NZ LYS A 506 -8.556 -1.161 6.167 1.00 23.23 N ATOM 0 H LYS A 506 -7.646 2.759 2.940 1.00 51.10 H new ATOM 0 HA LYS A 506 -6.927 4.472 5.165 1.00 22.23 H new ATOM 0 HB2 LYS A 506 -8.317 3.000 6.716 1.00 42.23 H new ATOM 0 HB3 LYS A 506 -9.071 4.325 5.853 1.00 42.23 H new ATOM 0 HG2 LYS A 506 -10.558 2.424 5.867 1.00 32.51 H new ATOM 0 HG3 LYS A 506 -10.037 2.743 4.224 1.00 32.51 H new ATOM 0 HD2 LYS A 506 -10.074 0.363 4.577 1.00 31.52 H new ATOM 0 HD3 LYS A 506 -8.409 0.876 4.382 1.00 31.52 H new ATOM 0 HE2 LYS A 506 -8.074 0.789 6.829 1.00 50.14 H new ATOM 0 HE3 LYS A 506 -9.752 0.338 7.058 1.00 50.14 H new ATOM 0 HZ1 LYS A 506 -9.284 -1.765 6.599 1.00 23.23 H new ATOM 0 HZ2 LYS A 506 -8.498 -1.363 5.148 1.00 23.23 H new ATOM 0 HZ3 LYS A 506 -7.636 -1.356 6.612 1.00 23.23 H new ATOM 909 N ALA A 507 -5.499 2.784 6.235 1.00 0.12 N ATOM 910 CA ALA A 507 -4.386 1.960 6.653 1.00 42.04 C ATOM 911 C ALA A 507 -4.870 0.596 7.097 1.00 41.25 C ATOM 912 O ALA A 507 -5.716 0.482 7.983 1.00 24.41 O ATOM 913 CB ALA A 507 -3.593 2.652 7.757 1.00 53.40 C ATOM 0 H ALA A 507 -5.653 3.601 6.826 1.00 0.12 H new ATOM 0 HA ALA A 507 -3.720 1.817 5.802 1.00 42.04 H new ATOM 0 HB1 ALA A 507 -2.760 2.017 8.059 1.00 53.40 H new ATOM 0 HB2 ALA A 507 -3.210 3.603 7.388 1.00 53.40 H new ATOM 0 HB3 ALA A 507 -4.242 2.830 8.614 1.00 53.40 H new ATOM 919 N GLY A 508 -4.347 -0.424 6.477 1.00 50.41 N ATOM 920 CA GLY A 508 -4.768 -1.763 6.777 1.00 22.35 C ATOM 921 C GLY A 508 -5.067 -2.526 5.525 1.00 41.51 C ATOM 922 O GLY A 508 -5.108 -3.760 5.533 1.00 2.21 O ATOM 0 H GLY A 508 -3.626 -0.353 5.759 1.00 50.41 H new ATOM 0 HA2 GLY A 508 -3.989 -2.275 7.341 1.00 22.35 H new ATOM 0 HA3 GLY A 508 -5.655 -1.736 7.411 1.00 22.35 H new ATOM 926 N ASP A 509 -5.282 -1.796 4.437 1.00 72.43 N ATOM 927 CA ASP A 509 -5.541 -2.436 3.151 1.00 3.35 C ATOM 928 C ASP A 509 -4.232 -2.857 2.534 1.00 61.00 C ATOM 929 O ASP A 509 -3.163 -2.310 2.877 1.00 30.13 O ATOM 930 CB ASP A 509 -6.296 -1.521 2.160 1.00 15.43 C ATOM 931 CG ASP A 509 -7.666 -1.079 2.634 1.00 2.33 C ATOM 932 OD1 ASP A 509 -8.391 -1.887 3.278 1.00 62.30 O ATOM 933 OD2 ASP A 509 -8.035 0.091 2.398 1.00 51.11 O ATOM 0 H ASP A 509 -5.283 -0.776 4.417 1.00 72.43 H new ATOM 0 HA ASP A 509 -6.180 -3.297 3.345 1.00 3.35 H new ATOM 0 HB2 ASP A 509 -5.689 -0.636 1.967 1.00 15.43 H new ATOM 0 HB3 ASP A 509 -6.405 -2.046 1.211 1.00 15.43 H new ATOM 938 N ARG A 510 -4.289 -3.822 1.658 1.00 12.42 N ATOM 939 CA ARG A 510 -3.109 -4.281 0.978 1.00 3.22 C ATOM 940 C ARG A 510 -2.990 -3.595 -0.352 1.00 14.13 C ATOM 941 O ARG A 510 -3.974 -3.467 -1.068 1.00 45.45 O ATOM 942 CB ARG A 510 -3.139 -5.805 0.780 1.00 45.54 C ATOM 943 CG ARG A 510 -1.928 -6.339 0.018 1.00 54.43 C ATOM 944 CD ARG A 510 -1.921 -7.849 -0.114 1.00 24.22 C ATOM 945 NE ARG A 510 -3.119 -8.377 -0.782 1.00 64.44 N ATOM 946 CZ ARG A 510 -3.098 -9.310 -1.757 1.00 13.55 C ATOM 947 NH1 ARG A 510 -1.956 -9.642 -2.341 1.00 10.53 N ATOM 948 NH2 ARG A 510 -4.222 -9.851 -2.184 1.00 14.24 N ATOM 0 H ARG A 510 -5.146 -4.309 1.397 1.00 12.42 H new ATOM 0 HA ARG A 510 -2.243 -4.036 1.594 1.00 3.22 H new ATOM 0 HB2 ARG A 510 -3.189 -6.290 1.755 1.00 45.54 H new ATOM 0 HB3 ARG A 510 -4.047 -6.077 0.242 1.00 45.54 H new ATOM 0 HG2 ARG A 510 -1.908 -5.894 -0.977 1.00 54.43 H new ATOM 0 HG3 ARG A 510 -1.018 -6.021 0.527 1.00 54.43 H new ATOM 0 HD2 ARG A 510 -1.037 -8.154 -0.673 1.00 24.22 H new ATOM 0 HD3 ARG A 510 -1.840 -8.294 0.878 1.00 24.22 H new ATOM 0 HE ARG A 510 -4.026 -8.014 -0.489 1.00 64.44 H new ATOM 0 HH11 ARG A 510 -1.087 -9.192 -2.054 1.00 10.53 H new ATOM 0 HH12 ARG A 510 -1.946 -10.348 -3.077 1.00 10.53 H new ATOM 0 HH21 ARG A 510 -5.113 -9.565 -1.777 1.00 14.24 H new ATOM 0 HH22 ARG A 510 -4.201 -10.556 -2.921 1.00 14.24 H new ATOM 962 N LEU A 511 -1.807 -3.162 -0.692 1.00 1.33 N ATOM 963 CA LEU A 511 -1.618 -2.551 -1.964 1.00 60.52 C ATOM 964 C LEU A 511 -1.350 -3.595 -3.024 1.00 31.01 C ATOM 965 O LEU A 511 -0.595 -4.559 -2.796 1.00 53.45 O ATOM 966 CB LEU A 511 -0.504 -1.515 -1.988 1.00 65.01 C ATOM 967 CG LEU A 511 -0.696 -0.233 -1.205 1.00 73.53 C ATOM 968 CD1 LEU A 511 0.397 0.730 -1.595 1.00 22.45 C ATOM 969 CD2 LEU A 511 -2.056 0.374 -1.483 1.00 35.31 C ATOM 0 H LEU A 511 -0.973 -3.223 -0.109 1.00 1.33 H new ATOM 0 HA LEU A 511 -2.549 -2.025 -2.176 1.00 60.52 H new ATOM 0 HB2 LEU A 511 0.404 -1.995 -1.622 1.00 65.01 H new ATOM 0 HB3 LEU A 511 -0.324 -1.245 -3.029 1.00 65.01 H new ATOM 0 HG LEU A 511 -0.645 -0.447 -0.138 1.00 73.53 H new ATOM 0 HD11 LEU A 511 0.276 1.661 -1.041 1.00 22.45 H new ATOM 0 HD12 LEU A 511 1.368 0.292 -1.362 1.00 22.45 H new ATOM 0 HD13 LEU A 511 0.338 0.934 -2.664 1.00 22.45 H new ATOM 0 HD21 LEU A 511 -2.168 1.293 -0.908 1.00 35.31 H new ATOM 0 HD22 LEU A 511 -2.144 0.597 -2.546 1.00 35.31 H new ATOM 0 HD23 LEU A 511 -2.835 -0.332 -1.195 1.00 35.31 H new ATOM 981 N ILE A 512 -1.980 -3.443 -4.149 1.00 72.31 N ATOM 982 CA ILE A 512 -1.750 -4.323 -5.270 1.00 3.25 C ATOM 983 C ILE A 512 -0.883 -3.621 -6.286 1.00 34.40 C ATOM 984 O ILE A 512 0.087 -4.195 -6.799 1.00 50.21 O ATOM 985 CB ILE A 512 -3.065 -4.796 -5.923 1.00 32.14 C ATOM 986 CG1 ILE A 512 -3.957 -5.528 -4.901 1.00 33.15 C ATOM 987 CG2 ILE A 512 -2.760 -5.704 -7.104 1.00 60.54 C ATOM 988 CD1 ILE A 512 -3.316 -6.760 -4.285 1.00 44.34 C ATOM 0 H ILE A 512 -2.667 -2.710 -4.323 1.00 72.31 H new ATOM 0 HA ILE A 512 -1.243 -5.214 -4.899 1.00 3.25 H new ATOM 0 HB ILE A 512 -3.608 -3.920 -6.278 1.00 32.14 H new ATOM 0 HG12 ILE A 512 -4.223 -4.833 -4.104 1.00 33.15 H new ATOM 0 HG13 ILE A 512 -4.886 -5.822 -5.391 1.00 33.15 H new ATOM 0 HG21 ILE A 512 -3.693 -6.034 -7.560 1.00 60.54 H new ATOM 0 HG22 ILE A 512 -2.170 -5.158 -7.840 1.00 60.54 H new ATOM 0 HG23 ILE A 512 -2.198 -6.572 -6.760 1.00 60.54 H new ATOM 0 HD11 ILE A 512 -4.009 -7.216 -3.578 1.00 44.34 H new ATOM 0 HD12 ILE A 512 -3.076 -7.476 -5.071 1.00 44.34 H new ATOM 0 HD13 ILE A 512 -2.403 -6.473 -3.764 1.00 44.34 H new ATOM 1000 N GLU A 513 -1.217 -2.386 -6.566 1.00 64.01 N ATOM 1001 CA GLU A 513 -0.441 -1.574 -7.446 1.00 53.43 C ATOM 1002 C GLU A 513 -0.679 -0.131 -7.118 1.00 33.22 C ATOM 1003 O GLU A 513 -1.683 0.207 -6.472 1.00 72.33 O ATOM 1004 CB GLU A 513 -0.703 -1.920 -8.943 1.00 13.04 C ATOM 1005 CG GLU A 513 -2.096 -1.616 -9.520 1.00 4.40 C ATOM 1006 CD GLU A 513 -2.366 -0.144 -9.810 1.00 24.55 C ATOM 1007 OE1 GLU A 513 -1.830 0.368 -10.824 1.00 32.10 O ATOM 1008 OE2 GLU A 513 -3.117 0.495 -9.071 1.00 14.52 O ATOM 0 H GLU A 513 -2.040 -1.921 -6.184 1.00 64.01 H new ATOM 0 HA GLU A 513 0.618 -1.783 -7.294 1.00 53.43 H new ATOM 0 HB2 GLU A 513 0.032 -1.384 -9.543 1.00 13.04 H new ATOM 0 HB3 GLU A 513 -0.510 -2.984 -9.079 1.00 13.04 H new ATOM 0 HG2 GLU A 513 -2.222 -2.182 -10.443 1.00 4.40 H new ATOM 0 HG3 GLU A 513 -2.849 -1.977 -8.820 1.00 4.40 H new ATOM 1015 N VAL A 514 0.246 0.691 -7.479 1.00 43.12 N ATOM 1016 CA VAL A 514 0.148 2.095 -7.257 1.00 31.21 C ATOM 1017 C VAL A 514 0.785 2.852 -8.421 1.00 43.12 C ATOM 1018 O VAL A 514 1.835 2.450 -8.935 1.00 63.55 O ATOM 1019 CB VAL A 514 0.763 2.532 -5.878 1.00 21.24 C ATOM 1020 CG1 VAL A 514 2.209 2.160 -5.782 1.00 41.33 C ATOM 1021 CG2 VAL A 514 0.608 4.016 -5.644 1.00 33.42 C ATOM 0 H VAL A 514 1.107 0.403 -7.945 1.00 43.12 H new ATOM 0 HA VAL A 514 -0.910 2.351 -7.208 1.00 31.21 H new ATOM 0 HB VAL A 514 0.209 1.997 -5.106 1.00 21.24 H new ATOM 0 HG11 VAL A 514 2.603 2.477 -4.816 1.00 41.33 H new ATOM 0 HG12 VAL A 514 2.314 1.080 -5.880 1.00 41.33 H new ATOM 0 HG13 VAL A 514 2.765 2.652 -6.580 1.00 41.33 H new ATOM 0 HG21 VAL A 514 1.045 4.280 -4.681 1.00 33.42 H new ATOM 0 HG22 VAL A 514 1.117 4.564 -6.436 1.00 33.42 H new ATOM 0 HG23 VAL A 514 -0.451 4.276 -5.646 1.00 33.42 H new ATOM 1031 N ASN A 515 0.102 3.897 -8.868 1.00 34.41 N ATOM 1032 CA ASN A 515 0.541 4.808 -9.907 1.00 50.13 C ATOM 1033 C ASN A 515 0.642 4.106 -11.277 1.00 24.02 C ATOM 1034 O ASN A 515 1.160 4.672 -12.255 1.00 32.33 O ATOM 1035 CB ASN A 515 1.862 5.467 -9.488 1.00 1.33 C ATOM 1036 CG ASN A 515 2.111 6.749 -10.206 1.00 24.55 C ATOM 1037 OD1 ASN A 515 1.553 7.792 -9.672 1.00 15.42 O flip ATOM 1038 ND2 ASN A 515 2.776 6.811 -11.231 1.00 71.52 N flip ATOM 0 H ASN A 515 -0.816 4.141 -8.496 1.00 34.41 H new ATOM 0 HA ASN A 515 -0.206 5.592 -10.029 1.00 50.13 H new ATOM 0 HB2 ASN A 515 1.848 5.652 -8.414 1.00 1.33 H new ATOM 0 HB3 ASN A 515 2.685 4.779 -9.682 1.00 1.33 H new ATOM 0 HD21 ASN A 515 3.197 5.966 -11.617 1.00 71.52 H new ATOM 0 HD22 ASN A 515 2.909 7.707 -11.699 1.00 71.52 H new ATOM 1045 N GLY A 516 0.088 2.903 -11.354 1.00 35.42 N ATOM 1046 CA GLY A 516 0.140 2.148 -12.567 1.00 2.54 C ATOM 1047 C GLY A 516 1.331 1.220 -12.604 1.00 24.43 C ATOM 1048 O GLY A 516 1.677 0.693 -13.662 1.00 10.02 O ATOM 0 H GLY A 516 -0.398 2.443 -10.584 1.00 35.42 H new ATOM 0 HA2 GLY A 516 -0.776 1.567 -12.672 1.00 2.54 H new ATOM 0 HA3 GLY A 516 0.184 2.829 -13.417 1.00 2.54 H new ATOM 1052 N VAL A 517 1.962 1.017 -11.459 1.00 60.15 N ATOM 1053 CA VAL A 517 3.125 0.152 -11.365 1.00 33.21 C ATOM 1054 C VAL A 517 2.831 -0.967 -10.366 1.00 51.52 C ATOM 1055 O VAL A 517 2.122 -0.747 -9.386 1.00 62.23 O ATOM 1056 CB VAL A 517 4.403 0.944 -10.925 1.00 50.32 C ATOM 1057 CG1 VAL A 517 5.632 0.053 -10.965 1.00 41.43 C ATOM 1058 CG2 VAL A 517 4.616 2.151 -11.815 1.00 43.15 C ATOM 0 H VAL A 517 1.685 1.444 -10.575 1.00 60.15 H new ATOM 0 HA VAL A 517 3.326 -0.266 -12.351 1.00 33.21 H new ATOM 0 HB VAL A 517 4.249 1.282 -9.900 1.00 50.32 H new ATOM 0 HG11 VAL A 517 6.507 0.625 -10.655 1.00 41.43 H new ATOM 0 HG12 VAL A 517 5.492 -0.790 -10.289 1.00 41.43 H new ATOM 0 HG13 VAL A 517 5.781 -0.316 -11.980 1.00 41.43 H new ATOM 0 HG21 VAL A 517 5.508 2.688 -11.493 1.00 43.15 H new ATOM 0 HG22 VAL A 517 4.742 1.824 -12.847 1.00 43.15 H new ATOM 0 HG23 VAL A 517 3.751 2.811 -11.746 1.00 43.15 H new ATOM 1068 N ASP A 518 3.378 -2.142 -10.614 1.00 34.44 N ATOM 1069 CA ASP A 518 3.123 -3.312 -9.790 1.00 63.15 C ATOM 1070 C ASP A 518 4.103 -3.350 -8.680 1.00 11.05 C ATOM 1071 O ASP A 518 5.203 -2.829 -8.797 1.00 40.15 O ATOM 1072 CB ASP A 518 3.163 -4.608 -10.607 1.00 42.14 C ATOM 1073 CG ASP A 518 4.448 -4.799 -11.362 1.00 25.13 C ATOM 1074 OD1 ASP A 518 4.576 -4.238 -12.476 1.00 63.44 O ATOM 1075 OD2 ASP A 518 5.342 -5.499 -10.871 1.00 3.33 O ATOM 0 H ASP A 518 4.013 -2.314 -11.393 1.00 34.44 H new ATOM 0 HA ASP A 518 2.116 -3.235 -9.381 1.00 63.15 H new ATOM 0 HB2 ASP A 518 3.014 -5.455 -9.938 1.00 42.14 H new ATOM 0 HB3 ASP A 518 2.332 -4.610 -11.313 1.00 42.14 H new ATOM 1080 N LEU A 519 3.720 -3.944 -7.609 1.00 23.34 N ATOM 1081 CA LEU A 519 4.524 -3.890 -6.423 1.00 41.45 C ATOM 1082 C LEU A 519 5.313 -5.133 -6.237 1.00 75.31 C ATOM 1083 O LEU A 519 6.523 -5.084 -6.086 1.00 2.25 O ATOM 1084 CB LEU A 519 3.639 -3.703 -5.226 1.00 34.43 C ATOM 1085 CG LEU A 519 2.573 -2.650 -5.366 1.00 34.55 C ATOM 1086 CD1 LEU A 519 1.846 -2.483 -4.083 1.00 52.40 C ATOM 1087 CD2 LEU A 519 3.131 -1.342 -5.843 1.00 42.53 C ATOM 0 H LEU A 519 2.855 -4.477 -7.520 1.00 23.34 H new ATOM 0 HA LEU A 519 5.214 -3.053 -6.530 1.00 41.45 H new ATOM 0 HB2 LEU A 519 3.158 -4.654 -5.000 1.00 34.43 H new ATOM 0 HB3 LEU A 519 4.264 -3.450 -4.370 1.00 34.43 H new ATOM 0 HG LEU A 519 1.870 -2.989 -6.127 1.00 34.55 H new ATOM 0 HD11 LEU A 519 1.077 -1.719 -4.197 1.00 52.40 H new ATOM 0 HD12 LEU A 519 1.380 -3.428 -3.804 1.00 52.40 H new ATOM 0 HD13 LEU A 519 2.546 -2.180 -3.305 1.00 52.40 H new ATOM 0 HD21 LEU A 519 2.326 -0.613 -5.929 1.00 42.53 H new ATOM 0 HD22 LEU A 519 3.873 -0.981 -5.130 1.00 42.53 H new ATOM 0 HD23 LEU A 519 3.601 -1.480 -6.817 1.00 42.53 H new ATOM 1099 N VAL A 520 4.634 -6.246 -6.275 1.00 34.33 N ATOM 1100 CA VAL A 520 5.244 -7.512 -5.972 1.00 61.01 C ATOM 1101 C VAL A 520 6.300 -7.854 -7.006 1.00 1.20 C ATOM 1102 O VAL A 520 6.005 -8.124 -8.182 1.00 61.40 O ATOM 1103 CB VAL A 520 4.193 -8.619 -5.831 1.00 70.24 C ATOM 1104 CG1 VAL A 520 4.841 -9.928 -5.392 1.00 41.24 C ATOM 1105 CG2 VAL A 520 3.142 -8.183 -4.822 1.00 10.34 C ATOM 0 H VAL A 520 3.645 -6.302 -6.516 1.00 34.33 H new ATOM 0 HA VAL A 520 5.743 -7.431 -5.006 1.00 61.01 H new ATOM 0 HB VAL A 520 3.721 -8.789 -6.799 1.00 70.24 H new ATOM 0 HG11 VAL A 520 4.076 -10.699 -5.298 1.00 41.24 H new ATOM 0 HG12 VAL A 520 5.578 -10.236 -6.134 1.00 41.24 H new ATOM 0 HG13 VAL A 520 5.333 -9.786 -4.430 1.00 41.24 H new ATOM 0 HG21 VAL A 520 2.391 -8.966 -4.717 1.00 10.34 H new ATOM 0 HG22 VAL A 520 3.616 -8.003 -3.857 1.00 10.34 H new ATOM 0 HG23 VAL A 520 2.664 -7.266 -5.168 1.00 10.34 H new ATOM 1115 N GLY A 521 7.516 -7.802 -6.557 1.00 61.41 N ATOM 1116 CA GLY A 521 8.651 -7.971 -7.390 1.00 2.13 C ATOM 1117 C GLY A 521 9.674 -6.924 -7.053 1.00 70.50 C ATOM 1118 O GLY A 521 10.881 -7.173 -7.090 1.00 21.22 O ATOM 0 H GLY A 521 7.745 -7.637 -5.577 1.00 61.41 H new ATOM 0 HA2 GLY A 521 9.073 -8.966 -7.251 1.00 2.13 H new ATOM 0 HA3 GLY A 521 8.363 -7.890 -8.438 1.00 2.13 H new ATOM 1122 N LYS A 522 9.193 -5.753 -6.683 1.00 43.52 N ATOM 1123 CA LYS A 522 10.060 -4.670 -6.312 1.00 62.32 C ATOM 1124 C LYS A 522 9.991 -4.446 -4.802 1.00 33.20 C ATOM 1125 O LYS A 522 9.059 -4.911 -4.134 1.00 31.31 O ATOM 1126 CB LYS A 522 9.757 -3.374 -7.114 1.00 1.51 C ATOM 1127 CG LYS A 522 8.366 -2.754 -6.922 1.00 61.14 C ATOM 1128 CD LYS A 522 8.213 -1.456 -7.706 1.00 23.32 C ATOM 1129 CE LYS A 522 7.962 -1.674 -9.212 1.00 54.10 C ATOM 1130 NZ LYS A 522 9.010 -2.447 -9.926 1.00 40.15 N ATOM 0 H LYS A 522 8.198 -5.534 -6.634 1.00 43.52 H new ATOM 0 HA LYS A 522 11.083 -4.944 -6.571 1.00 62.32 H new ATOM 0 HB2 LYS A 522 10.503 -2.626 -6.846 1.00 1.51 H new ATOM 0 HB3 LYS A 522 9.890 -3.591 -8.174 1.00 1.51 H new ATOM 0 HG2 LYS A 522 7.604 -3.464 -7.242 1.00 61.14 H new ATOM 0 HG3 LYS A 522 8.197 -2.561 -5.863 1.00 61.14 H new ATOM 0 HD2 LYS A 522 7.386 -0.883 -7.287 1.00 23.32 H new ATOM 0 HD3 LYS A 522 9.114 -0.855 -7.579 1.00 23.32 H new ATOM 0 HE2 LYS A 522 7.009 -2.188 -9.334 1.00 54.10 H new ATOM 0 HE3 LYS A 522 7.862 -0.700 -9.691 1.00 54.10 H new ATOM 0 HZ1 LYS A 522 8.989 -2.208 -10.938 1.00 40.15 H new ATOM 0 HZ2 LYS A 522 9.944 -2.210 -9.534 1.00 40.15 H new ATOM 0 HZ3 LYS A 522 8.833 -3.465 -9.807 1.00 40.15 H new ATOM 1144 N SER A 523 10.968 -3.772 -4.266 1.00 72.32 N ATOM 1145 CA SER A 523 11.059 -3.561 -2.841 1.00 4.12 C ATOM 1146 C SER A 523 10.276 -2.310 -2.405 1.00 44.24 C ATOM 1147 O SER A 523 9.960 -1.444 -3.237 1.00 42.52 O ATOM 1148 CB SER A 523 12.530 -3.476 -2.458 1.00 44.21 C ATOM 1149 OG SER A 523 13.207 -4.649 -2.897 1.00 15.13 O ATOM 0 H SER A 523 11.727 -3.351 -4.801 1.00 72.32 H new ATOM 0 HA SER A 523 10.601 -4.400 -2.316 1.00 4.12 H new ATOM 0 HB2 SER A 523 12.983 -2.593 -2.908 1.00 44.21 H new ATOM 0 HB3 SER A 523 12.629 -3.370 -1.378 1.00 44.21 H new ATOM 0 HG SER A 523 14.154 -4.592 -2.651 1.00 15.13 H new ATOM 1155 N GLN A 524 9.984 -2.219 -1.096 1.00 65.02 N ATOM 1156 CA GLN A 524 9.189 -1.121 -0.517 1.00 73.30 C ATOM 1157 C GLN A 524 9.714 0.235 -0.911 1.00 63.21 C ATOM 1158 O GLN A 524 8.954 1.099 -1.319 1.00 72.04 O ATOM 1159 CB GLN A 524 9.168 -1.192 1.000 1.00 44.52 C ATOM 1160 CG GLN A 524 8.518 -2.420 1.579 1.00 74.33 C ATOM 1161 CD GLN A 524 8.531 -2.367 3.087 1.00 15.31 C ATOM 1162 OE1 GLN A 524 9.467 -2.834 3.740 1.00 63.31 O ATOM 1163 NE2 GLN A 524 7.510 -1.800 3.656 1.00 24.31 N ATOM 0 H GLN A 524 10.293 -2.906 -0.408 1.00 65.02 H new ATOM 0 HA GLN A 524 8.182 -1.246 -0.914 1.00 73.30 H new ATOM 0 HB2 GLN A 524 10.194 -1.139 1.364 1.00 44.52 H new ATOM 0 HB3 GLN A 524 8.649 -0.313 1.381 1.00 44.52 H new ATOM 0 HG2 GLN A 524 7.491 -2.498 1.221 1.00 74.33 H new ATOM 0 HG3 GLN A 524 9.043 -3.312 1.237 1.00 74.33 H new ATOM 0 HE21 GLN A 524 6.752 -1.424 3.086 1.00 24.31 H new ATOM 0 HE22 GLN A 524 7.466 -1.731 4.673 1.00 24.31 H new ATOM 1172 N GLU A 525 11.015 0.413 -0.798 1.00 11.22 N ATOM 1173 CA GLU A 525 11.651 1.687 -1.113 1.00 15.40 C ATOM 1174 C GLU A 525 11.425 2.099 -2.552 1.00 21.14 C ATOM 1175 O GLU A 525 11.299 3.280 -2.852 1.00 0.12 O ATOM 1176 CB GLU A 525 13.117 1.640 -0.784 1.00 11.12 C ATOM 1177 CG GLU A 525 13.377 1.504 0.693 1.00 12.34 C ATOM 1178 CD GLU A 525 14.823 1.271 0.999 1.00 45.32 C ATOM 1179 OE1 GLU A 525 15.579 2.243 1.150 1.00 64.12 O ATOM 1180 OE2 GLU A 525 15.225 0.090 1.101 1.00 34.04 O ATOM 0 H GLU A 525 11.662 -0.312 -0.488 1.00 11.22 H new ATOM 0 HA GLU A 525 11.181 2.449 -0.492 1.00 15.40 H new ATOM 0 HB2 GLU A 525 13.576 0.802 -1.308 1.00 11.12 H new ATOM 0 HB3 GLU A 525 13.597 2.547 -1.151 1.00 11.12 H new ATOM 0 HG2 GLU A 525 13.042 2.407 1.203 1.00 12.34 H new ATOM 0 HG3 GLU A 525 12.787 0.677 1.088 1.00 12.34 H new ATOM 1187 N GLU A 526 11.335 1.130 -3.427 1.00 53.13 N ATOM 1188 CA GLU A 526 11.102 1.395 -4.829 1.00 25.43 C ATOM 1189 C GLU A 526 9.672 1.852 -5.024 1.00 40.12 C ATOM 1190 O GLU A 526 9.398 2.775 -5.796 1.00 14.03 O ATOM 1191 CB GLU A 526 11.364 0.151 -5.638 1.00 21.45 C ATOM 1192 CG GLU A 526 12.769 -0.398 -5.477 1.00 20.22 C ATOM 1193 CD GLU A 526 13.012 -1.606 -6.333 1.00 50.50 C ATOM 1194 OE1 GLU A 526 13.341 -1.440 -7.527 1.00 44.54 O ATOM 1195 OE2 GLU A 526 12.875 -2.731 -5.843 1.00 1.33 O ATOM 0 H GLU A 526 11.420 0.141 -3.193 1.00 53.13 H new ATOM 0 HA GLU A 526 11.779 2.180 -5.167 1.00 25.43 H new ATOM 0 HB2 GLU A 526 10.648 -0.618 -5.348 1.00 21.45 H new ATOM 0 HB3 GLU A 526 11.188 0.370 -6.691 1.00 21.45 H new ATOM 0 HG2 GLU A 526 13.491 0.377 -5.734 1.00 20.22 H new ATOM 0 HG3 GLU A 526 12.938 -0.657 -4.432 1.00 20.22 H new ATOM 1202 N VAL A 527 8.767 1.217 -4.298 1.00 74.43 N ATOM 1203 CA VAL A 527 7.360 1.565 -4.348 1.00 21.14 C ATOM 1204 C VAL A 527 7.156 2.958 -3.757 1.00 14.41 C ATOM 1205 O VAL A 527 6.411 3.772 -4.303 1.00 35.14 O ATOM 1206 CB VAL A 527 6.484 0.553 -3.556 1.00 40.32 C ATOM 1207 CG1 VAL A 527 5.008 0.897 -3.671 1.00 24.42 C ATOM 1208 CG2 VAL A 527 6.745 -0.881 -3.995 1.00 60.31 C ATOM 0 H VAL A 527 8.987 0.451 -3.662 1.00 74.43 H new ATOM 0 HA VAL A 527 7.053 1.541 -5.394 1.00 21.14 H new ATOM 0 HB VAL A 527 6.768 0.631 -2.507 1.00 40.32 H new ATOM 0 HG11 VAL A 527 4.421 0.172 -3.107 1.00 24.42 H new ATOM 0 HG12 VAL A 527 4.835 1.895 -3.270 1.00 24.42 H new ATOM 0 HG13 VAL A 527 4.709 0.870 -4.719 1.00 24.42 H new ATOM 0 HG21 VAL A 527 6.115 -1.558 -3.419 1.00 60.31 H new ATOM 0 HG22 VAL A 527 6.515 -0.985 -5.055 1.00 60.31 H new ATOM 0 HG23 VAL A 527 7.793 -1.128 -3.825 1.00 60.31 H new ATOM 1218 N VAL A 528 7.841 3.247 -2.656 1.00 74.31 N ATOM 1219 CA VAL A 528 7.666 4.548 -2.033 1.00 11.11 C ATOM 1220 C VAL A 528 8.207 5.639 -2.945 1.00 0.24 C ATOM 1221 O VAL A 528 7.587 6.661 -3.113 1.00 51.14 O ATOM 1222 CB VAL A 528 8.269 4.679 -0.589 1.00 35.31 C ATOM 1223 CG1 VAL A 528 7.821 3.562 0.335 1.00 32.12 C ATOM 1224 CG2 VAL A 528 9.777 4.871 -0.562 1.00 71.12 C ATOM 0 H VAL A 528 8.499 2.621 -2.192 1.00 74.31 H new ATOM 0 HA VAL A 528 6.591 4.667 -1.897 1.00 11.11 H new ATOM 0 HB VAL A 528 7.851 5.606 -0.197 1.00 35.31 H new ATOM 0 HG11 VAL A 528 8.268 3.703 1.319 1.00 32.12 H new ATOM 0 HG12 VAL A 528 6.735 3.577 0.424 1.00 32.12 H new ATOM 0 HG13 VAL A 528 8.138 2.603 -0.074 1.00 32.12 H new ATOM 0 HG21 VAL A 528 10.115 4.953 0.471 1.00 71.12 H new ATOM 0 HG22 VAL A 528 10.261 4.017 -1.036 1.00 71.12 H new ATOM 0 HG23 VAL A 528 10.038 5.781 -1.102 1.00 71.12 H new ATOM 1234 N SER A 529 9.341 5.374 -3.564 1.00 61.25 N ATOM 1235 CA SER A 529 9.967 6.310 -4.494 1.00 23.22 C ATOM 1236 C SER A 529 9.048 6.615 -5.684 1.00 51.33 C ATOM 1237 O SER A 529 8.875 7.781 -6.065 1.00 53.33 O ATOM 1238 CB SER A 529 11.307 5.762 -4.979 1.00 40.31 C ATOM 1239 OG SER A 529 12.187 5.526 -3.883 1.00 44.41 O ATOM 0 H SER A 529 9.859 4.504 -3.440 1.00 61.25 H new ATOM 0 HA SER A 529 10.142 7.245 -3.961 1.00 23.22 H new ATOM 0 HB2 SER A 529 11.148 4.834 -5.529 1.00 40.31 H new ATOM 0 HB3 SER A 529 11.764 6.469 -5.672 1.00 40.31 H new ATOM 0 HG SER A 529 11.929 4.697 -3.429 1.00 44.41 H new ATOM 1245 N LEU A 530 8.423 5.576 -6.243 1.00 31.44 N ATOM 1246 CA LEU A 530 7.530 5.759 -7.373 1.00 21.32 C ATOM 1247 C LEU A 530 6.272 6.539 -6.938 1.00 61.21 C ATOM 1248 O LEU A 530 5.678 7.296 -7.724 1.00 15.22 O ATOM 1249 CB LEU A 530 7.234 4.394 -8.097 1.00 32.35 C ATOM 1250 CG LEU A 530 6.446 3.305 -7.361 1.00 62.23 C ATOM 1251 CD1 LEU A 530 4.980 3.639 -7.257 1.00 43.14 C ATOM 1252 CD2 LEU A 530 6.636 1.959 -8.019 1.00 41.32 C ATOM 0 H LEU A 530 8.522 4.610 -5.930 1.00 31.44 H new ATOM 0 HA LEU A 530 8.019 6.374 -8.129 1.00 21.32 H new ATOM 0 HB2 LEU A 530 6.695 4.622 -9.017 1.00 32.35 H new ATOM 0 HB3 LEU A 530 8.192 3.964 -8.388 1.00 32.35 H new ATOM 0 HG LEU A 530 6.844 3.256 -6.347 1.00 62.23 H new ATOM 0 HD11 LEU A 530 4.461 2.839 -6.728 1.00 43.14 H new ATOM 0 HD12 LEU A 530 4.858 4.574 -6.711 1.00 43.14 H new ATOM 0 HD13 LEU A 530 4.559 3.745 -8.257 1.00 43.14 H new ATOM 0 HD21 LEU A 530 6.066 1.205 -7.476 1.00 41.32 H new ATOM 0 HD22 LEU A 530 6.286 2.006 -9.050 1.00 41.32 H new ATOM 0 HD23 LEU A 530 7.693 1.694 -8.006 1.00 41.32 H new ATOM 1264 N LEU A 531 5.892 6.363 -5.672 1.00 73.23 N ATOM 1265 CA LEU A 531 4.794 7.099 -5.083 1.00 43.23 C ATOM 1266 C LEU A 531 5.193 8.564 -4.912 1.00 1.24 C ATOM 1267 O LEU A 531 4.467 9.468 -5.322 1.00 62.54 O ATOM 1268 CB LEU A 531 4.422 6.500 -3.707 1.00 23.14 C ATOM 1269 CG LEU A 531 3.305 7.212 -2.938 1.00 70.52 C ATOM 1270 CD1 LEU A 531 2.000 7.116 -3.692 1.00 53.02 C ATOM 1271 CD2 LEU A 531 3.162 6.660 -1.516 1.00 35.34 C ATOM 0 H LEU A 531 6.341 5.706 -5.035 1.00 73.23 H new ATOM 0 HA LEU A 531 3.929 7.029 -5.743 1.00 43.23 H new ATOM 0 HB2 LEU A 531 4.128 5.461 -3.854 1.00 23.14 H new ATOM 0 HB3 LEU A 531 5.316 6.493 -3.084 1.00 23.14 H new ATOM 0 HG LEU A 531 3.575 8.264 -2.851 1.00 70.52 H new ATOM 0 HD11 LEU A 531 1.217 7.627 -3.131 1.00 53.02 H new ATOM 0 HD12 LEU A 531 2.110 7.584 -4.670 1.00 53.02 H new ATOM 0 HD13 LEU A 531 1.730 6.068 -3.819 1.00 53.02 H new ATOM 0 HD21 LEU A 531 2.360 7.188 -1.000 1.00 35.34 H new ATOM 0 HD22 LEU A 531 2.926 5.597 -1.560 1.00 35.34 H new ATOM 0 HD23 LEU A 531 4.097 6.802 -0.975 1.00 35.34 H new ATOM 1283 N ARG A 532 6.374 8.775 -4.346 1.00 43.53 N ATOM 1284 CA ARG A 532 6.891 10.110 -4.057 1.00 13.42 C ATOM 1285 C ARG A 532 7.052 10.937 -5.316 1.00 42.41 C ATOM 1286 O ARG A 532 6.778 12.140 -5.312 1.00 64.20 O ATOM 1287 CB ARG A 532 8.225 10.042 -3.309 1.00 40.54 C ATOM 1288 CG ARG A 532 8.176 9.299 -1.980 1.00 72.43 C ATOM 1289 CD ARG A 532 7.117 9.854 -1.053 1.00 5.22 C ATOM 1290 NE ARG A 532 7.307 11.282 -0.811 1.00 72.54 N ATOM 1291 CZ ARG A 532 6.500 12.068 -0.102 1.00 42.10 C ATOM 1292 NH1 ARG A 532 5.392 11.582 0.460 1.00 42.20 N ATOM 1293 NH2 ARG A 532 6.805 13.342 0.035 1.00 25.42 N ATOM 0 H ARG A 532 7.005 8.022 -4.072 1.00 43.53 H new ATOM 0 HA ARG A 532 6.154 10.597 -3.419 1.00 13.42 H new ATOM 0 HB2 ARG A 532 8.961 9.560 -3.952 1.00 40.54 H new ATOM 0 HB3 ARG A 532 8.576 11.058 -3.128 1.00 40.54 H new ATOM 0 HG2 ARG A 532 7.978 8.243 -2.163 1.00 72.43 H new ATOM 0 HG3 ARG A 532 9.150 9.362 -1.495 1.00 72.43 H new ATOM 0 HD2 ARG A 532 6.131 9.686 -1.485 1.00 5.22 H new ATOM 0 HD3 ARG A 532 7.145 9.317 -0.105 1.00 5.22 H new ATOM 0 HE ARG A 532 8.133 11.716 -1.223 1.00 72.54 H new ATOM 0 HH11 ARG A 532 5.154 10.596 0.349 1.00 42.20 H new ATOM 0 HH12 ARG A 532 4.783 12.196 1.001 1.00 42.20 H new ATOM 0 HH21 ARG A 532 7.650 13.714 -0.399 1.00 25.42 H new ATOM 0 HH22 ARG A 532 6.196 13.957 0.575 1.00 25.42 H new ATOM 1307 N SER A 533 7.503 10.297 -6.386 1.00 31.22 N ATOM 1308 CA SER A 533 7.658 10.956 -7.665 1.00 25.33 C ATOM 1309 C SER A 533 6.280 11.373 -8.193 1.00 24.22 C ATOM 1310 O SER A 533 6.126 12.460 -8.762 1.00 25.12 O ATOM 1311 CB SER A 533 8.370 10.027 -8.650 1.00 42.32 C ATOM 1312 OG SER A 533 8.640 10.678 -9.889 1.00 13.30 O ATOM 0 H SER A 533 7.769 9.312 -6.387 1.00 31.22 H new ATOM 0 HA SER A 533 8.269 11.851 -7.547 1.00 25.33 H new ATOM 0 HB2 SER A 533 9.305 9.679 -8.211 1.00 42.32 H new ATOM 0 HB3 SER A 533 7.754 9.146 -8.829 1.00 42.32 H new ATOM 0 HG SER A 533 9.096 10.056 -10.493 1.00 13.30 H new ATOM 1318 N THR A 534 5.280 10.498 -7.975 1.00 2.34 N ATOM 1319 CA THR A 534 3.882 10.773 -8.303 1.00 54.13 C ATOM 1320 C THR A 534 3.654 10.805 -9.847 1.00 20.43 C ATOM 1321 O THR A 534 4.595 10.825 -10.634 1.00 60.52 O ATOM 1322 CB THR A 534 3.453 12.130 -7.636 1.00 41.24 C ATOM 1323 OG1 THR A 534 3.849 12.122 -6.254 1.00 3.01 O ATOM 1324 CG2 THR A 534 1.946 12.371 -7.695 1.00 11.21 C ATOM 0 H THR A 534 5.428 9.577 -7.563 1.00 2.34 H new ATOM 0 HA THR A 534 3.261 9.968 -7.909 1.00 54.13 H new ATOM 0 HB THR A 534 3.944 12.927 -8.194 1.00 41.24 H new ATOM 0 HG1 THR A 534 3.971 11.197 -5.954 1.00 3.01 H new ATOM 0 HG21 THR A 534 1.711 13.323 -7.219 1.00 11.21 H new ATOM 0 HG22 THR A 534 1.622 12.396 -8.735 1.00 11.21 H new ATOM 0 HG23 THR A 534 1.428 11.566 -7.173 1.00 11.21 H new ATOM 1332 N LYS A 535 2.404 10.771 -10.253 1.00 72.40 N ATOM 1333 CA LYS A 535 2.046 10.869 -11.646 1.00 42.21 C ATOM 1334 C LYS A 535 2.070 12.356 -12.001 1.00 42.23 C ATOM 1335 O LYS A 535 1.830 13.190 -11.124 1.00 14.45 O ATOM 1336 CB LYS A 535 0.628 10.307 -11.826 1.00 75.44 C ATOM 1337 CG LYS A 535 0.124 10.239 -13.260 1.00 23.12 C ATOM 1338 CD LYS A 535 0.914 9.234 -14.117 1.00 65.35 C ATOM 1339 CE LYS A 535 0.771 7.798 -13.599 1.00 4.12 C ATOM 1340 NZ LYS A 535 1.506 6.810 -14.428 1.00 43.30 N ATOM 0 H LYS A 535 1.607 10.674 -9.623 1.00 72.40 H new ATOM 0 HA LYS A 535 2.729 10.311 -12.286 1.00 42.21 H new ATOM 0 HB2 LYS A 535 0.598 9.304 -11.401 1.00 75.44 H new ATOM 0 HB3 LYS A 535 -0.062 10.919 -11.246 1.00 75.44 H new ATOM 0 HG2 LYS A 535 -0.930 9.960 -13.258 1.00 23.12 H new ATOM 0 HG3 LYS A 535 0.191 11.228 -13.712 1.00 23.12 H new ATOM 0 HD2 LYS A 535 0.564 9.284 -15.148 1.00 65.35 H new ATOM 0 HD3 LYS A 535 1.968 9.513 -14.124 1.00 65.35 H new ATOM 0 HE2 LYS A 535 1.137 7.749 -12.574 1.00 4.12 H new ATOM 0 HE3 LYS A 535 -0.285 7.530 -13.574 1.00 4.12 H new ATOM 0 HZ1 LYS A 535 1.561 5.904 -13.921 1.00 43.30 H new ATOM 0 HZ2 LYS A 535 1.006 6.673 -15.329 1.00 43.30 H new ATOM 0 HZ3 LYS A 535 2.467 7.161 -14.615 1.00 43.30 H new ATOM 1354 N MET A 536 2.355 12.697 -13.242 1.00 44.24 N ATOM 1355 CA MET A 536 2.396 14.109 -13.641 1.00 60.35 C ATOM 1356 C MET A 536 1.056 14.817 -13.527 1.00 14.24 C ATOM 1357 O MET A 536 1.020 16.013 -13.245 1.00 12.35 O ATOM 1358 CB MET A 536 3.031 14.329 -15.004 1.00 0.15 C ATOM 1359 CG MET A 536 4.530 14.076 -15.026 1.00 4.43 C ATOM 1360 SD MET A 536 5.423 15.113 -13.840 1.00 73.20 S ATOM 1361 CE MET A 536 4.997 16.764 -14.414 1.00 65.52 C ATOM 0 H MET A 536 2.560 12.034 -13.990 1.00 44.24 H new ATOM 0 HA MET A 536 3.052 14.578 -12.907 1.00 60.35 H new ATOM 0 HB2 MET A 536 2.550 13.673 -15.730 1.00 0.15 H new ATOM 0 HB3 MET A 536 2.839 15.353 -15.324 1.00 0.15 H new ATOM 0 HG2 MET A 536 4.722 13.026 -14.803 1.00 4.43 H new ATOM 0 HG3 MET A 536 4.913 14.264 -16.029 1.00 4.43 H new ATOM 0 HE1 MET A 536 5.682 17.490 -13.976 1.00 65.52 H new ATOM 0 HE2 MET A 536 5.074 16.803 -15.501 1.00 65.52 H new ATOM 0 HE3 MET A 536 3.976 17.001 -14.114 1.00 65.52 H new ATOM 1371 N GLU A 537 -0.047 14.087 -13.740 1.00 4.24 N ATOM 1372 CA GLU A 537 -1.391 14.652 -13.525 1.00 42.34 C ATOM 1373 C GLU A 537 -1.533 15.027 -12.056 1.00 72.04 C ATOM 1374 O GLU A 537 -2.205 15.991 -11.691 1.00 22.50 O ATOM 1375 CB GLU A 537 -2.485 13.633 -13.885 1.00 21.54 C ATOM 1376 CG GLU A 537 -3.908 14.174 -13.736 1.00 3.12 C ATOM 1377 CD GLU A 537 -4.969 13.137 -13.996 1.00 61.13 C ATOM 1378 OE1 GLU A 537 -5.168 12.760 -15.168 1.00 2.43 O ATOM 1379 OE2 GLU A 537 -5.631 12.688 -13.028 1.00 63.51 O ATOM 0 H GLU A 537 -0.040 13.117 -14.057 1.00 4.24 H new ATOM 0 HA GLU A 537 -1.508 15.527 -14.165 1.00 42.34 H new ATOM 0 HB2 GLU A 537 -2.337 13.304 -14.914 1.00 21.54 H new ATOM 0 HB3 GLU A 537 -2.372 12.754 -13.250 1.00 21.54 H new ATOM 0 HG2 GLU A 537 -4.035 14.570 -12.728 1.00 3.12 H new ATOM 0 HG3 GLU A 537 -4.047 15.007 -14.425 1.00 3.12 H new ATOM 1386 N GLY A 538 -0.872 14.257 -11.226 1.00 71.05 N ATOM 1387 CA GLY A 538 -0.901 14.473 -9.821 1.00 72.24 C ATOM 1388 C GLY A 538 -1.750 13.456 -9.129 1.00 23.24 C ATOM 1389 O GLY A 538 -1.688 13.317 -7.910 1.00 44.10 O ATOM 0 H GLY A 538 -0.301 13.464 -11.518 1.00 71.05 H new ATOM 0 HA2 GLY A 538 0.113 14.433 -9.424 1.00 72.24 H new ATOM 0 HA3 GLY A 538 -1.285 15.472 -9.613 1.00 72.24 H new ATOM 1393 N THR A 539 -2.536 12.739 -9.893 1.00 63.20 N ATOM 1394 CA THR A 539 -3.396 11.742 -9.333 1.00 53.43 C ATOM 1395 C THR A 539 -2.724 10.381 -9.437 1.00 63.32 C ATOM 1396 O THR A 539 -2.246 9.979 -10.505 1.00 63.34 O ATOM 1397 CB THR A 539 -4.716 11.678 -10.073 1.00 63.20 C ATOM 1398 OG1 THR A 539 -5.106 13.000 -10.459 1.00 55.11 O ATOM 1399 CG2 THR A 539 -5.777 11.139 -9.146 1.00 33.41 C ATOM 0 H THR A 539 -2.594 12.832 -10.907 1.00 63.20 H new ATOM 0 HA THR A 539 -3.584 12.005 -8.292 1.00 53.43 H new ATOM 0 HB THR A 539 -4.606 11.038 -10.949 1.00 63.20 H new ATOM 0 HG1 THR A 539 -5.522 12.972 -11.346 1.00 55.11 H new ATOM 0 HG21 THR A 539 -6.730 11.090 -9.673 1.00 33.41 H new ATOM 0 HG22 THR A 539 -5.495 10.140 -8.812 1.00 33.41 H new ATOM 0 HG23 THR A 539 -5.873 11.796 -8.282 1.00 33.41 H new ATOM 1407 N VAL A 540 -2.679 9.703 -8.351 1.00 34.45 N ATOM 1408 CA VAL A 540 -2.080 8.420 -8.257 1.00 23.54 C ATOM 1409 C VAL A 540 -3.152 7.358 -8.137 1.00 31.54 C ATOM 1410 O VAL A 540 -4.097 7.506 -7.370 1.00 52.24 O ATOM 1411 CB VAL A 540 -1.111 8.369 -7.051 1.00 51.44 C ATOM 1412 CG1 VAL A 540 -0.497 7.006 -6.884 1.00 31.01 C ATOM 1413 CG2 VAL A 540 -0.026 9.425 -7.196 1.00 73.20 C ATOM 0 H VAL A 540 -3.072 10.036 -7.470 1.00 34.45 H new ATOM 0 HA VAL A 540 -1.504 8.226 -9.162 1.00 23.54 H new ATOM 0 HB VAL A 540 -1.693 8.579 -6.154 1.00 51.44 H new ATOM 0 HG11 VAL A 540 0.176 7.013 -6.027 1.00 31.01 H new ATOM 0 HG12 VAL A 540 -1.284 6.270 -6.721 1.00 31.01 H new ATOM 0 HG13 VAL A 540 0.062 6.746 -7.783 1.00 31.01 H new ATOM 0 HG21 VAL A 540 0.647 9.375 -6.340 1.00 73.20 H new ATOM 0 HG22 VAL A 540 0.538 9.244 -8.111 1.00 73.20 H new ATOM 0 HG23 VAL A 540 -0.484 10.413 -7.241 1.00 73.20 H new ATOM 1423 N SER A 541 -3.007 6.311 -8.909 1.00 52.14 N ATOM 1424 CA SER A 541 -3.934 5.224 -8.907 1.00 52.25 C ATOM 1425 C SER A 541 -3.470 4.176 -7.904 1.00 51.12 C ATOM 1426 O SER A 541 -2.320 3.802 -7.883 1.00 21.33 O ATOM 1427 CB SER A 541 -4.016 4.627 -10.323 1.00 20.45 C ATOM 1428 OG SER A 541 -5.056 3.659 -10.440 1.00 42.32 O ATOM 0 H SER A 541 -2.231 6.195 -9.561 1.00 52.14 H new ATOM 0 HA SER A 541 -4.926 5.571 -8.617 1.00 52.25 H new ATOM 0 HB2 SER A 541 -4.184 5.427 -11.044 1.00 20.45 H new ATOM 0 HB3 SER A 541 -3.062 4.165 -10.577 1.00 20.45 H new ATOM 0 HG SER A 541 -5.074 3.307 -11.354 1.00 42.32 H new ATOM 1434 N LEU A 542 -4.357 3.780 -7.066 1.00 3.14 N ATOM 1435 CA LEU A 542 -4.134 2.790 -6.048 1.00 74.52 C ATOM 1436 C LEU A 542 -5.028 1.627 -6.304 1.00 21.34 C ATOM 1437 O LEU A 542 -6.211 1.809 -6.558 1.00 33.31 O ATOM 1438 CB LEU A 542 -4.518 3.348 -4.652 1.00 2.21 C ATOM 1439 CG LEU A 542 -3.582 4.341 -3.967 1.00 71.33 C ATOM 1440 CD1 LEU A 542 -2.268 3.685 -3.687 1.00 54.01 C ATOM 1441 CD2 LEU A 542 -3.384 5.608 -4.780 1.00 74.00 C ATOM 0 H LEU A 542 -5.308 4.148 -7.062 1.00 3.14 H new ATOM 0 HA LEU A 542 -3.081 2.509 -6.069 1.00 74.52 H new ATOM 0 HB2 LEU A 542 -5.493 3.826 -4.746 1.00 2.21 H new ATOM 0 HB3 LEU A 542 -4.643 2.498 -3.981 1.00 2.21 H new ATOM 0 HG LEU A 542 -4.049 4.641 -3.029 1.00 71.33 H new ATOM 0 HD11 LEU A 542 -1.603 4.397 -3.198 1.00 54.01 H new ATOM 0 HD12 LEU A 542 -2.422 2.825 -3.035 1.00 54.01 H new ATOM 0 HD13 LEU A 542 -1.820 3.354 -4.624 1.00 54.01 H new ATOM 0 HD21 LEU A 542 -2.710 6.280 -4.248 1.00 74.00 H new ATOM 0 HD22 LEU A 542 -2.954 5.355 -5.749 1.00 74.00 H new ATOM 0 HD23 LEU A 542 -4.346 6.100 -4.927 1.00 74.00 H new ATOM 1453 N LEU A 543 -4.502 0.468 -6.302 1.00 24.40 N ATOM 1454 CA LEU A 543 -5.335 -0.689 -6.311 1.00 61.34 C ATOM 1455 C LEU A 543 -5.133 -1.337 -5.003 1.00 25.21 C ATOM 1456 O LEU A 543 -4.012 -1.736 -4.668 1.00 2.30 O ATOM 1457 CB LEU A 543 -4.974 -1.653 -7.421 1.00 63.12 C ATOM 1458 CG LEU A 543 -5.861 -2.893 -7.571 1.00 32.14 C ATOM 1459 CD1 LEU A 543 -7.287 -2.507 -7.919 1.00 24.45 C ATOM 1460 CD2 LEU A 543 -5.291 -3.816 -8.622 1.00 15.41 C ATOM 0 H LEU A 543 -3.499 0.283 -6.294 1.00 24.40 H new ATOM 0 HA LEU A 543 -6.372 -0.403 -6.485 1.00 61.34 H new ATOM 0 HB2 LEU A 543 -4.990 -1.107 -8.364 1.00 63.12 H new ATOM 0 HB3 LEU A 543 -3.948 -1.986 -7.263 1.00 63.12 H new ATOM 0 HG LEU A 543 -5.880 -3.416 -6.615 1.00 32.14 H new ATOM 0 HD11 LEU A 543 -7.893 -3.407 -8.019 1.00 24.45 H new ATOM 0 HD12 LEU A 543 -7.697 -1.879 -7.128 1.00 24.45 H new ATOM 0 HD13 LEU A 543 -7.296 -1.957 -8.860 1.00 24.45 H new ATOM 0 HD21 LEU A 543 -5.929 -4.694 -8.720 1.00 15.41 H new ATOM 0 HD22 LEU A 543 -5.243 -3.294 -9.577 1.00 15.41 H new ATOM 0 HD23 LEU A 543 -4.289 -4.127 -8.328 1.00 15.41 H new ATOM 1472 N VAL A 544 -6.157 -1.427 -4.254 1.00 44.41 N ATOM 1473 CA VAL A 544 -6.043 -1.986 -2.959 1.00 55.25 C ATOM 1474 C VAL A 544 -6.840 -3.241 -2.872 1.00 62.42 C ATOM 1475 O VAL A 544 -7.820 -3.415 -3.591 1.00 73.10 O ATOM 1476 CB VAL A 544 -6.499 -1.000 -1.841 1.00 74.12 C ATOM 1477 CG1 VAL A 544 -5.693 0.281 -1.888 1.00 24.44 C ATOM 1478 CG2 VAL A 544 -7.989 -0.694 -1.928 1.00 1.10 C ATOM 0 H VAL A 544 -7.095 -1.120 -4.512 1.00 44.41 H new ATOM 0 HA VAL A 544 -4.987 -2.201 -2.797 1.00 55.25 H new ATOM 0 HB VAL A 544 -6.317 -1.492 -0.885 1.00 74.12 H new ATOM 0 HG11 VAL A 544 -6.030 0.952 -1.098 1.00 24.44 H new ATOM 0 HG12 VAL A 544 -4.637 0.052 -1.743 1.00 24.44 H new ATOM 0 HG13 VAL A 544 -5.831 0.762 -2.856 1.00 24.44 H new ATOM 0 HG21 VAL A 544 -8.266 -0.003 -1.131 1.00 1.10 H new ATOM 0 HG22 VAL A 544 -8.212 -0.241 -2.894 1.00 1.10 H new ATOM 0 HG23 VAL A 544 -8.557 -1.618 -1.821 1.00 1.10 H new ATOM 1488 N PHE A 545 -6.403 -4.112 -2.044 1.00 31.51 N ATOM 1489 CA PHE A 545 -7.102 -5.305 -1.765 1.00 42.24 C ATOM 1490 C PHE A 545 -7.578 -5.197 -0.363 1.00 60.33 C ATOM 1491 O PHE A 545 -6.774 -5.105 0.577 1.00 34.15 O ATOM 1492 CB PHE A 545 -6.192 -6.529 -1.937 1.00 2.15 C ATOM 1493 CG PHE A 545 -6.854 -7.854 -1.620 1.00 62.00 C ATOM 1494 CD1 PHE A 545 -7.562 -8.544 -2.592 1.00 32.40 C ATOM 1495 CD2 PHE A 545 -6.753 -8.413 -0.350 1.00 63.22 C ATOM 1496 CE1 PHE A 545 -8.156 -9.758 -2.306 1.00 21.52 C ATOM 1497 CE2 PHE A 545 -7.348 -9.624 -0.059 1.00 3.22 C ATOM 1498 CZ PHE A 545 -8.051 -10.297 -1.036 1.00 21.22 C ATOM 0 H PHE A 545 -5.528 -4.012 -1.529 1.00 31.51 H new ATOM 0 HA PHE A 545 -7.936 -5.437 -2.454 1.00 42.24 H new ATOM 0 HB2 PHE A 545 -5.830 -6.555 -2.965 1.00 2.15 H new ATOM 0 HB3 PHE A 545 -5.320 -6.410 -1.294 1.00 2.15 H new ATOM 0 HD1 PHE A 545 -7.650 -8.127 -3.585 1.00 32.40 H new ATOM 0 HD2 PHE A 545 -6.201 -7.892 0.419 1.00 63.22 H new ATOM 0 HE1 PHE A 545 -8.702 -10.286 -3.074 1.00 21.52 H new ATOM 0 HE2 PHE A 545 -7.263 -10.044 0.932 1.00 3.22 H new ATOM 0 HZ PHE A 545 -8.519 -11.244 -0.810 1.00 21.22 H new ATOM 1508 N ARG A 546 -8.843 -5.173 -0.220 1.00 13.42 N ATOM 1509 CA ARG A 546 -9.448 -5.051 1.035 1.00 52.51 C ATOM 1510 C ARG A 546 -10.086 -6.340 1.393 1.00 0.25 C ATOM 1511 O ARG A 546 -10.921 -6.872 0.646 1.00 52.13 O ATOM 1512 CB ARG A 546 -10.425 -3.906 1.014 1.00 74.22 C ATOM 1513 CG ARG A 546 -11.150 -3.647 2.310 1.00 44.03 C ATOM 1514 CD ARG A 546 -11.891 -2.344 2.213 1.00 63.45 C ATOM 1515 NE ARG A 546 -10.957 -1.220 2.009 1.00 35.21 N ATOM 1516 CZ ARG A 546 -11.231 -0.084 1.347 1.00 51.21 C ATOM 1517 NH1 ARG A 546 -12.437 0.121 0.824 1.00 62.24 N ATOM 1518 NH2 ARG A 546 -10.288 0.843 1.221 1.00 44.54 N ATOM 0 H ARG A 546 -9.501 -5.240 -0.996 1.00 13.42 H new ATOM 0 HA ARG A 546 -8.707 -4.826 1.802 1.00 52.51 H new ATOM 0 HB2 ARG A 546 -9.890 -3.000 0.730 1.00 74.22 H new ATOM 0 HB3 ARG A 546 -11.164 -4.096 0.236 1.00 74.22 H new ATOM 0 HG2 ARG A 546 -11.846 -4.459 2.519 1.00 44.03 H new ATOM 0 HG3 ARG A 546 -10.440 -3.614 3.137 1.00 44.03 H new ATOM 0 HD2 ARG A 546 -12.601 -2.386 1.387 1.00 63.45 H new ATOM 0 HD3 ARG A 546 -12.469 -2.181 3.123 1.00 63.45 H new ATOM 0 HE ARG A 546 -10.022 -1.314 2.405 1.00 35.21 H new ATOM 0 HH11 ARG A 546 -13.163 -0.588 0.924 1.00 62.24 H new ATOM 0 HH12 ARG A 546 -12.635 0.987 0.323 1.00 62.24 H new ATOM 0 HH21 ARG A 546 -9.364 0.689 1.625 1.00 44.54 H new ATOM 0 HH22 ARG A 546 -10.488 1.709 0.720 1.00 44.54 H new ATOM 1532 N GLN A 547 -9.688 -6.864 2.502 1.00 54.42 N ATOM 1533 CA GLN A 547 -10.178 -8.141 2.929 1.00 21.22 C ATOM 1534 C GLN A 547 -11.543 -7.991 3.536 1.00 43.02 C ATOM 1535 O GLN A 547 -11.815 -7.032 4.264 1.00 11.03 O ATOM 1536 CB GLN A 547 -9.214 -8.841 3.897 1.00 54.40 C ATOM 1537 CG GLN A 547 -8.954 -8.098 5.197 1.00 53.32 C ATOM 1538 CD GLN A 547 -8.081 -8.893 6.138 1.00 70.51 C ATOM 1539 OE1 GLN A 547 -7.233 -9.676 5.716 1.00 22.51 O ATOM 1540 NE2 GLN A 547 -8.288 -8.721 7.412 1.00 64.04 N ATOM 0 H GLN A 547 -9.020 -6.428 3.137 1.00 54.42 H new ATOM 0 HA GLN A 547 -10.251 -8.780 2.049 1.00 21.22 H new ATOM 0 HB2 GLN A 547 -9.614 -9.827 4.134 1.00 54.40 H new ATOM 0 HB3 GLN A 547 -8.262 -8.996 3.389 1.00 54.40 H new ATOM 0 HG2 GLN A 547 -8.476 -7.143 4.979 1.00 53.32 H new ATOM 0 HG3 GLN A 547 -9.904 -7.876 5.684 1.00 53.32 H new ATOM 0 HE21 GLN A 547 -9.000 -8.063 7.729 1.00 64.04 H new ATOM 0 HE22 GLN A 547 -7.738 -9.244 8.093 1.00 64.04 H new ATOM 1549 N GLU A 548 -12.402 -8.897 3.219 1.00 71.24 N ATOM 1550 CA GLU A 548 -13.742 -8.852 3.688 1.00 35.13 C ATOM 1551 C GLU A 548 -13.959 -9.990 4.649 1.00 24.13 C ATOM 1552 O GLU A 548 -14.010 -11.146 4.243 1.00 63.24 O ATOM 1553 CB GLU A 548 -14.697 -8.953 2.503 1.00 13.22 C ATOM 1554 CG GLU A 548 -14.440 -7.899 1.443 1.00 23.01 C ATOM 1555 CD GLU A 548 -15.359 -8.020 0.270 1.00 35.42 C ATOM 1556 OE1 GLU A 548 -15.126 -8.896 -0.585 1.00 44.32 O ATOM 1557 OE2 GLU A 548 -16.311 -7.226 0.168 1.00 44.31 O ATOM 0 H GLU A 548 -12.192 -9.697 2.622 1.00 71.24 H new ATOM 0 HA GLU A 548 -13.933 -7.911 4.204 1.00 35.13 H new ATOM 0 HB2 GLU A 548 -14.606 -9.942 2.054 1.00 13.22 H new ATOM 0 HB3 GLU A 548 -15.722 -8.858 2.861 1.00 13.22 H new ATOM 0 HG2 GLU A 548 -14.553 -6.910 1.886 1.00 23.01 H new ATOM 0 HG3 GLU A 548 -13.408 -7.979 1.100 1.00 23.01 H new ATOM 1564 N ASP A 549 -14.021 -9.671 5.917 1.00 20.51 N ATOM 1565 CA ASP A 549 -14.242 -10.670 6.943 1.00 64.23 C ATOM 1566 C ASP A 549 -15.668 -11.110 6.879 1.00 75.13 C ATOM 1567 O ASP A 549 -16.540 -10.384 7.404 1.00 37.80 O ATOM 1568 CB ASP A 549 -13.932 -10.144 8.359 1.00 43.21 C ATOM 1569 CG ASP A 549 -12.512 -9.675 8.551 1.00 70.33 C ATOM 1570 OD1 ASP A 549 -11.606 -10.520 8.691 1.00 40.44 O ATOM 1571 OD2 ASP A 549 -12.283 -8.445 8.580 1.00 21.25 O ATOM 1572 OXT ASP A 549 -15.950 -12.159 6.300 1.00 37.80 O ATOM 0 H ASP A 549 -13.921 -8.719 6.270 1.00 20.51 H new ATOM 0 HA ASP A 549 -13.563 -11.501 6.754 1.00 64.23 H new ATOM 0 HB2 ASP A 549 -14.608 -9.319 8.583 1.00 43.21 H new ATOM 0 HB3 ASP A 549 -14.142 -10.933 9.081 1.00 43.21 H new TER 1577 ASP A 549