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 466 LYS NZ :NH3+ 135:sc= 0.72 (180deg=-0.464) USER MOD Set 1.2: A 534 THR OG1 : rot -13:sc= 1.29 USER MOD Set 2.1: A 468 THR OG1 : rot 180:sc= 0.564 USER MOD Set 2.2: A 501 GLN : amide:sc= -0.935! C(o=-0.37!,f=-6!) USER MOD Set 3.1: A 465 LYS NZ :NH3+ -158:sc= 1.22 (180deg=0) USER MOD Set 3.2: A 539 THR OG1 : rot 180:sc= 1.09 USER MOD Single : A 450 SER OG : rot -81:sc= 0.213 USER MOD Single : A 451 TYR OH : rot 180:sc= 0 USER MOD Single : A 452 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 453 THR OG1 : rot 180:sc= 0 USER MOD Single : A 454 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 455 LYS NZ :NH3+ -168:sc= -0.0153 (180deg=-0.226) USER MOD Single : A 458 LYS NZ :NH3+ 158:sc= 1.09 (180deg=0.492) USER MOD Single : A 461 ASN : amide:sc=-0.00996 X(o=-0.01,f=-0.019) USER MOD Single : A 463 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 474 SER OG : rot 180:sc= -0.0457 USER MOD Single : A 476 THR OG1 : rot 180:sc= 0 USER MOD Single : A 477 SER OG : rot 28:sc= -0.277 USER MOD Single : A 481 THR OG1 : rot -36:sc= 0.383 USER MOD Single : A 485 SER OG : rot 54:sc= 0.0534 USER MOD Single : A 489 TYR OH : 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= -0.701 K(o=-0.7,f=-0.074) USER MOD Single : A 506 LYS NZ :NH3+ 144:sc= 1.57 (180deg=1.17) USER MOD Single : A 515 ASN : amide:sc= -1.17 K(o=-1.2,f=-3.9!) USER MOD Single : A 522 LYS NZ :NH3+ -143:sc= -1.69! (180deg=-4.15!) USER MOD Single : A 523 SER OG : rot -74:sc= 0.794 USER MOD Single : A 524 GLN : amide:sc= -4.16 K(o=-4.2,f=-6.9!) USER MOD Single : A 529 SER OG : rot 180:sc= 0 USER MOD Single : A 533 SER OG : rot 79:sc= 0.29 USER MOD Single : A 535 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 536 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 541 SER OG : rot 180:sc= 0 USER MOD Single : A 547 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 449 -29.445 -16.211 -9.290 1.00 11.11 N ATOM 2 CA GLY A 449 -28.057 -16.653 -9.248 1.00 44.14 C ATOM 3 C GLY A 449 -27.619 -17.222 -10.571 1.00 13.42 C ATOM 4 O GLY A 449 -27.761 -18.419 -10.816 1.00 15.42 O ATOM 0 HA2 GLY A 449 -27.415 -15.814 -8.981 1.00 44.14 H new ATOM 0 HA3 GLY A 449 -27.937 -17.406 -8.469 1.00 44.14 H new ATOM 8 N SER A 450 -27.111 -16.371 -11.434 1.00 74.13 N ATOM 9 CA SER A 450 -26.631 -16.782 -12.730 1.00 32.12 C ATOM 10 C SER A 450 -25.309 -17.534 -12.550 1.00 23.22 C ATOM 11 O SER A 450 -25.073 -18.575 -13.173 1.00 35.13 O ATOM 12 CB SER A 450 -26.458 -15.541 -13.627 1.00 12.12 C ATOM 13 OG SER A 450 -26.014 -15.872 -14.940 1.00 72.11 O ATOM 0 H SER A 450 -27.020 -15.371 -11.254 1.00 74.13 H new ATOM 0 HA SER A 450 -27.346 -17.449 -13.213 1.00 32.12 H new ATOM 0 HB2 SER A 450 -27.407 -15.009 -13.692 1.00 12.12 H new ATOM 0 HB3 SER A 450 -25.742 -14.861 -13.166 1.00 12.12 H new ATOM 0 HG SER A 450 -25.044 -16.012 -14.932 1.00 72.11 H new ATOM 19 N TYR A 451 -24.472 -17.003 -11.680 1.00 0.22 N ATOM 20 CA TYR A 451 -23.203 -17.595 -11.306 1.00 22.44 C ATOM 21 C TYR A 451 -22.983 -17.301 -9.854 1.00 61.25 C ATOM 22 O TYR A 451 -23.525 -16.322 -9.335 1.00 42.35 O ATOM 23 CB TYR A 451 -22.023 -17.001 -12.100 1.00 62.41 C ATOM 24 CG TYR A 451 -22.057 -17.235 -13.587 1.00 61.42 C ATOM 25 CD1 TYR A 451 -21.567 -18.411 -14.135 1.00 51.42 C ATOM 26 CD2 TYR A 451 -22.572 -16.278 -14.441 1.00 12.31 C ATOM 27 CE1 TYR A 451 -21.591 -18.623 -15.494 1.00 63.01 C ATOM 28 CE2 TYR A 451 -22.599 -16.480 -15.798 1.00 61.11 C ATOM 29 CZ TYR A 451 -22.109 -17.653 -16.322 1.00 71.13 C ATOM 30 OH TYR A 451 -22.135 -17.854 -17.688 1.00 24.44 O ATOM 0 H TYR A 451 -24.662 -16.123 -11.201 1.00 0.22 H new ATOM 0 HA TYR A 451 -23.243 -18.663 -11.518 1.00 22.44 H new ATOM 0 HB2 TYR A 451 -21.991 -15.926 -11.920 1.00 62.41 H new ATOM 0 HB3 TYR A 451 -21.096 -17.418 -11.706 1.00 62.41 H new ATOM 0 HD1 TYR A 451 -21.160 -19.172 -13.485 1.00 51.42 H new ATOM 0 HD2 TYR A 451 -22.960 -15.356 -14.034 1.00 12.31 H new ATOM 0 HE1 TYR A 451 -21.206 -19.543 -15.908 1.00 63.01 H new ATOM 0 HE2 TYR A 451 -23.003 -15.721 -16.451 1.00 61.11 H new ATOM 0 HH TYR A 451 -22.533 -17.073 -18.126 1.00 24.44 H new ATOM 40 N ASN A 452 -22.225 -18.118 -9.191 1.00 43.12 N ATOM 41 CA ASN A 452 -21.924 -17.871 -7.796 1.00 64.34 C ATOM 42 C ASN A 452 -20.852 -16.826 -7.681 1.00 21.43 C ATOM 43 O ASN A 452 -19.711 -17.043 -8.107 1.00 65.13 O ATOM 44 CB ASN A 452 -21.516 -19.151 -7.055 1.00 15.43 C ATOM 45 CG ASN A 452 -22.652 -20.142 -6.925 1.00 35.52 C ATOM 46 OD1 ASN A 452 -22.848 -21.002 -7.782 1.00 44.00 O ATOM 47 ND2 ASN A 452 -23.409 -20.033 -5.864 1.00 65.05 N ATOM 0 H ASN A 452 -21.801 -18.960 -9.581 1.00 43.12 H new ATOM 0 HA ASN A 452 -22.834 -17.507 -7.320 1.00 64.34 H new ATOM 0 HB2 ASN A 452 -20.687 -19.623 -7.583 1.00 15.43 H new ATOM 0 HB3 ASN A 452 -21.153 -18.890 -6.061 1.00 15.43 H new ATOM 0 HD21 ASN A 452 -24.191 -20.673 -5.727 1.00 65.05 H new ATOM 0 HD22 ASN A 452 -23.217 -19.308 -5.173 1.00 65.05 H new ATOM 54 N THR A 453 -21.218 -15.687 -7.148 1.00 41.54 N ATOM 55 CA THR A 453 -20.297 -14.608 -6.967 1.00 21.14 C ATOM 56 C THR A 453 -19.401 -14.923 -5.779 1.00 61.45 C ATOM 57 O THR A 453 -19.805 -14.779 -4.628 1.00 34.33 O ATOM 58 CB THR A 453 -21.050 -13.287 -6.715 1.00 14.11 C ATOM 59 OG1 THR A 453 -22.033 -13.091 -7.756 1.00 14.43 O ATOM 60 CG2 THR A 453 -20.083 -12.103 -6.715 1.00 15.43 C ATOM 0 H THR A 453 -22.166 -15.488 -6.829 1.00 41.54 H new ATOM 0 HA THR A 453 -19.697 -14.493 -7.870 1.00 21.14 H new ATOM 0 HB THR A 453 -21.536 -13.345 -5.741 1.00 14.11 H new ATOM 0 HG1 THR A 453 -22.515 -12.252 -7.597 1.00 14.43 H new ATOM 0 HG21 THR A 453 -20.636 -11.181 -6.535 1.00 15.43 H new ATOM 0 HG22 THR A 453 -19.341 -12.240 -5.929 1.00 15.43 H new ATOM 0 HG23 THR A 453 -19.582 -12.043 -7.681 1.00 15.43 H new ATOM 68 N LYS A 454 -18.219 -15.401 -6.060 1.00 74.44 N ATOM 69 CA LYS A 454 -17.305 -15.770 -5.028 1.00 73.12 C ATOM 70 C LYS A 454 -16.145 -14.832 -4.966 1.00 64.10 C ATOM 71 O LYS A 454 -15.212 -14.921 -5.775 1.00 72.15 O ATOM 72 CB LYS A 454 -16.806 -17.174 -5.231 1.00 50.13 C ATOM 73 CG LYS A 454 -17.883 -18.209 -5.182 1.00 72.34 C ATOM 74 CD LYS A 454 -17.307 -19.560 -5.417 1.00 45.01 C ATOM 75 CE LYS A 454 -18.362 -20.611 -5.364 1.00 11.01 C ATOM 76 NZ LYS A 454 -17.797 -21.945 -5.613 1.00 33.35 N ATOM 0 H LYS A 454 -17.869 -15.543 -7.008 1.00 74.44 H new ATOM 0 HA LYS A 454 -17.847 -15.716 -4.084 1.00 73.12 H new ATOM 0 HB2 LYS A 454 -16.300 -17.234 -6.195 1.00 50.13 H new ATOM 0 HB3 LYS A 454 -16.063 -17.400 -4.466 1.00 50.13 H new ATOM 0 HG2 LYS A 454 -18.381 -18.181 -4.213 1.00 72.34 H new ATOM 0 HG3 LYS A 454 -18.640 -17.992 -5.935 1.00 72.34 H new ATOM 0 HD2 LYS A 454 -16.814 -19.584 -6.389 1.00 45.01 H new ATOM 0 HD3 LYS A 454 -16.544 -19.769 -4.667 1.00 45.01 H new ATOM 0 HE2 LYS A 454 -18.846 -20.595 -4.388 1.00 11.01 H new ATOM 0 HE3 LYS A 454 -19.132 -20.395 -6.105 1.00 11.01 H new ATOM 0 HZ1 LYS A 454 -18.554 -22.656 -5.570 1.00 33.35 H new ATOM 0 HZ2 LYS A 454 -17.356 -21.965 -6.555 1.00 33.35 H new ATOM 0 HZ3 LYS A 454 -17.080 -22.159 -4.891 1.00 33.35 H new ATOM 90 N LYS A 455 -16.205 -13.908 -4.061 1.00 60.43 N ATOM 91 CA LYS A 455 -15.118 -13.006 -3.852 1.00 52.32 C ATOM 92 C LYS A 455 -14.906 -12.842 -2.376 1.00 35.32 C ATOM 93 O LYS A 455 -15.757 -12.310 -1.674 1.00 24.25 O ATOM 94 CB LYS A 455 -15.374 -11.629 -4.506 1.00 31.20 C ATOM 95 CG LYS A 455 -15.568 -11.673 -6.017 1.00 21.13 C ATOM 96 CD LYS A 455 -15.749 -10.283 -6.604 1.00 72.23 C ATOM 97 CE LYS A 455 -16.002 -10.344 -8.102 1.00 62.02 C ATOM 98 NZ LYS A 455 -14.902 -11.019 -8.832 1.00 23.43 N ATOM 0 H LYS A 455 -17.006 -13.758 -3.448 1.00 60.43 H new ATOM 0 HA LYS A 455 -14.228 -13.424 -4.322 1.00 52.32 H new ATOM 0 HB2 LYS A 455 -16.259 -11.184 -4.052 1.00 31.20 H new ATOM 0 HB3 LYS A 455 -14.535 -10.972 -4.279 1.00 31.20 H new ATOM 0 HG2 LYS A 455 -14.706 -12.154 -6.480 1.00 21.13 H new ATOM 0 HG3 LYS A 455 -16.439 -12.284 -6.254 1.00 21.13 H new ATOM 0 HD2 LYS A 455 -16.584 -9.784 -6.112 1.00 72.23 H new ATOM 0 HD3 LYS A 455 -14.860 -9.684 -6.407 1.00 72.23 H new ATOM 0 HE2 LYS A 455 -16.937 -10.872 -8.289 1.00 62.02 H new ATOM 0 HE3 LYS A 455 -16.125 -9.332 -8.489 1.00 62.02 H new ATOM 0 HZ1 LYS A 455 -15.015 -10.860 -9.854 1.00 23.43 H new ATOM 0 HZ2 LYS A 455 -13.989 -10.631 -8.520 1.00 23.43 H new ATOM 0 HZ3 LYS A 455 -14.930 -12.040 -8.635 1.00 23.43 H new ATOM 112 N ILE A 456 -13.768 -13.284 -1.910 1.00 72.30 N ATOM 113 CA ILE A 456 -13.419 -13.167 -0.499 1.00 14.15 C ATOM 114 C ILE A 456 -12.687 -11.861 -0.289 1.00 13.43 C ATOM 115 O ILE A 456 -12.259 -11.517 0.802 1.00 64.21 O ATOM 116 CB ILE A 456 -12.523 -14.347 -0.035 1.00 70.55 C ATOM 117 CG1 ILE A 456 -11.196 -14.373 -0.821 1.00 41.52 C ATOM 118 CG2 ILE A 456 -13.275 -15.666 -0.202 1.00 63.31 C ATOM 119 CD1 ILE A 456 -10.230 -15.455 -0.374 1.00 12.03 C ATOM 0 H ILE A 456 -13.055 -13.734 -2.484 1.00 72.30 H new ATOM 0 HA ILE A 456 -14.335 -13.193 0.091 1.00 14.15 H new ATOM 0 HB ILE A 456 -12.283 -14.209 1.019 1.00 70.55 H new ATOM 0 HG12 ILE A 456 -11.416 -14.513 -1.879 1.00 41.52 H new ATOM 0 HG13 ILE A 456 -10.709 -13.403 -0.722 1.00 41.52 H new ATOM 0 HG21 ILE A 456 -12.641 -16.490 0.125 1.00 63.31 H new ATOM 0 HG22 ILE A 456 -14.183 -15.646 0.400 1.00 63.31 H new ATOM 0 HG23 ILE A 456 -13.538 -15.805 -1.251 1.00 63.31 H new ATOM 0 HD11 ILE A 456 -9.323 -15.405 -0.977 1.00 12.03 H new ATOM 0 HD12 ILE A 456 -9.977 -15.306 0.676 1.00 12.03 H new ATOM 0 HD13 ILE A 456 -10.695 -16.433 -0.500 1.00 12.03 H new ATOM 131 N GLY A 457 -12.571 -11.150 -1.353 1.00 63.22 N ATOM 132 CA GLY A 457 -11.900 -9.927 -1.388 1.00 13.33 C ATOM 133 C GLY A 457 -11.515 -9.647 -2.788 1.00 65.53 C ATOM 134 O GLY A 457 -11.224 -10.578 -3.546 1.00 5.42 O ATOM 0 H GLY A 457 -12.962 -11.427 -2.253 1.00 63.22 H new ATOM 0 HA2 GLY A 457 -12.540 -9.132 -1.004 1.00 13.33 H new ATOM 0 HA3 GLY A 457 -11.016 -9.961 -0.751 1.00 13.33 H new ATOM 138 N LYS A 458 -11.538 -8.423 -3.158 1.00 12.14 N ATOM 139 CA LYS A 458 -11.182 -8.047 -4.491 1.00 55.23 C ATOM 140 C LYS A 458 -10.339 -6.822 -4.454 1.00 23.34 C ATOM 141 O LYS A 458 -10.179 -6.202 -3.386 1.00 15.30 O ATOM 142 CB LYS A 458 -12.366 -7.934 -5.524 1.00 62.54 C ATOM 143 CG LYS A 458 -13.307 -6.686 -5.530 1.00 52.51 C ATOM 144 CD LYS A 458 -14.276 -6.549 -4.355 1.00 11.24 C ATOM 145 CE LYS A 458 -13.628 -6.078 -3.092 1.00 4.40 C ATOM 146 NZ LYS A 458 -14.606 -5.914 -2.022 1.00 31.22 N ATOM 0 H LYS A 458 -11.803 -7.646 -2.553 1.00 12.14 H new ATOM 0 HA LYS A 458 -10.608 -8.884 -4.890 1.00 55.23 H new ATOM 0 HB2 LYS A 458 -11.930 -8.011 -6.520 1.00 62.54 H new ATOM 0 HB3 LYS A 458 -12.998 -8.811 -5.384 1.00 62.54 H new ATOM 0 HG2 LYS A 458 -12.685 -5.791 -5.564 1.00 52.51 H new ATOM 0 HG3 LYS A 458 -13.890 -6.704 -6.451 1.00 52.51 H new ATOM 0 HD2 LYS A 458 -15.068 -5.852 -4.628 1.00 11.24 H new ATOM 0 HD3 LYS A 458 -14.750 -7.514 -4.172 1.00 11.24 H new ATOM 0 HE2 LYS A 458 -12.865 -6.793 -2.784 1.00 4.40 H new ATOM 0 HE3 LYS A 458 -13.121 -5.130 -3.273 1.00 4.40 H new ATOM 0 HZ1 LYS A 458 -14.124 -5.956 -1.101 1.00 31.22 H new ATOM 0 HZ2 LYS A 458 -15.080 -4.994 -2.123 1.00 31.22 H new ATOM 0 HZ3 LYS A 458 -15.313 -6.675 -2.078 1.00 31.22 H new ATOM 160 N ARG A 459 -9.794 -6.479 -5.563 1.00 72.11 N ATOM 161 CA ARG A 459 -8.928 -5.358 -5.648 1.00 11.14 C ATOM 162 C ARG A 459 -9.705 -4.180 -6.184 1.00 3.54 C ATOM 163 O ARG A 459 -10.573 -4.336 -7.046 1.00 14.51 O ATOM 164 CB ARG A 459 -7.774 -5.693 -6.564 1.00 74.21 C ATOM 165 CG ARG A 459 -7.046 -6.936 -6.132 1.00 65.22 C ATOM 166 CD ARG A 459 -5.947 -7.302 -7.082 1.00 63.42 C ATOM 167 NE ARG A 459 -5.293 -8.532 -6.650 1.00 51.31 N ATOM 168 CZ ARG A 459 -4.209 -9.089 -7.190 1.00 44.14 C ATOM 169 NH1 ARG A 459 -3.632 -8.558 -8.259 1.00 54.10 N ATOM 170 NH2 ARG A 459 -3.725 -10.208 -6.665 1.00 11.12 N ATOM 0 H ARG A 459 -9.936 -6.971 -6.445 1.00 72.11 H new ATOM 0 HA ARG A 459 -8.534 -5.105 -4.664 1.00 11.14 H new ATOM 0 HB2 ARG A 459 -8.146 -5.827 -7.580 1.00 74.21 H new ATOM 0 HB3 ARG A 459 -7.077 -4.856 -6.588 1.00 74.21 H new ATOM 0 HG2 ARG A 459 -6.629 -6.784 -5.136 1.00 65.22 H new ATOM 0 HG3 ARG A 459 -7.752 -7.763 -6.059 1.00 65.22 H new ATOM 0 HD2 ARG A 459 -6.352 -7.431 -8.086 1.00 63.42 H new ATOM 0 HD3 ARG A 459 -5.218 -6.493 -7.134 1.00 63.42 H new ATOM 0 HE ARG A 459 -5.707 -9.015 -5.853 1.00 51.31 H new ATOM 0 HH11 ARG A 459 -4.017 -7.712 -8.679 1.00 54.10 H new ATOM 0 HH12 ARG A 459 -2.803 -8.995 -8.661 1.00 54.10 H new ATOM 0 HH21 ARG A 459 -4.182 -10.632 -5.858 1.00 11.12 H new ATOM 0 HH22 ARG A 459 -2.896 -10.644 -7.069 1.00 11.12 H new ATOM 184 N LEU A 460 -9.418 -3.021 -5.667 1.00 70.43 N ATOM 185 CA LEU A 460 -10.145 -1.821 -6.034 1.00 53.51 C ATOM 186 C LEU A 460 -9.184 -0.801 -6.536 1.00 3.22 C ATOM 187 O LEU A 460 -8.144 -0.596 -5.929 1.00 73.11 O ATOM 188 CB LEU A 460 -10.918 -1.199 -4.836 1.00 10.00 C ATOM 189 CG LEU A 460 -11.983 -2.046 -4.113 1.00 60.01 C ATOM 190 CD1 LEU A 460 -12.991 -2.639 -5.088 1.00 45.53 C ATOM 191 CD2 LEU A 460 -11.357 -3.103 -3.209 1.00 3.34 C ATOM 0 H LEU A 460 -8.678 -2.872 -4.981 1.00 70.43 H new ATOM 0 HA LEU A 460 -10.868 -2.108 -6.797 1.00 53.51 H new ATOM 0 HB2 LEU A 460 -10.182 -0.892 -4.093 1.00 10.00 H new ATOM 0 HB3 LEU A 460 -11.406 -0.293 -5.194 1.00 10.00 H new ATOM 0 HG LEU A 460 -12.538 -1.373 -3.460 1.00 60.01 H new ATOM 0 HD11 LEU A 460 -13.725 -3.229 -4.539 1.00 45.53 H new ATOM 0 HD12 LEU A 460 -13.498 -1.835 -5.621 1.00 45.53 H new ATOM 0 HD13 LEU A 460 -12.473 -3.278 -5.803 1.00 45.53 H new ATOM 0 HD21 LEU A 460 -12.145 -3.676 -2.720 1.00 3.34 H new ATOM 0 HD22 LEU A 460 -10.739 -3.773 -3.807 1.00 3.34 H new ATOM 0 HD23 LEU A 460 -10.740 -2.617 -2.454 1.00 3.34 H new ATOM 203 N ASN A 461 -9.511 -0.184 -7.638 1.00 21.12 N ATOM 204 CA ASN A 461 -8.694 0.872 -8.194 1.00 45.34 C ATOM 205 C ASN A 461 -9.312 2.207 -7.817 1.00 11.13 C ATOM 206 O ASN A 461 -10.457 2.507 -8.175 1.00 21.15 O ATOM 207 CB ASN A 461 -8.498 0.707 -9.726 1.00 64.35 C ATOM 208 CG ASN A 461 -9.792 0.675 -10.533 1.00 23.52 C ATOM 209 OD1 ASN A 461 -10.402 -0.384 -10.697 1.00 15.13 O ATOM 210 ND2 ASN A 461 -10.187 1.798 -11.080 1.00 63.42 N ATOM 0 H ASN A 461 -10.349 -0.395 -8.179 1.00 21.12 H new ATOM 0 HA ASN A 461 -7.689 0.821 -7.774 1.00 45.34 H new ATOM 0 HB2 ASN A 461 -7.879 1.527 -10.090 1.00 64.35 H new ATOM 0 HB3 ASN A 461 -7.947 -0.215 -9.911 1.00 64.35 H new ATOM 0 HD21 ASN A 461 -11.024 1.815 -11.663 1.00 63.42 H new ATOM 0 HD22 ASN A 461 -9.658 2.656 -10.923 1.00 63.42 H new ATOM 217 N ILE A 462 -8.583 2.969 -7.057 1.00 41.44 N ATOM 218 CA ILE A 462 -9.065 4.204 -6.487 1.00 71.43 C ATOM 219 C ILE A 462 -8.165 5.384 -6.890 1.00 73.54 C ATOM 220 O ILE A 462 -6.980 5.350 -6.654 1.00 13.30 O ATOM 221 CB ILE A 462 -9.018 4.084 -4.948 1.00 12.21 C ATOM 222 CG1 ILE A 462 -9.785 2.836 -4.467 1.00 23.15 C ATOM 223 CG2 ILE A 462 -9.611 5.325 -4.323 1.00 43.12 C ATOM 224 CD1 ILE A 462 -9.732 2.609 -2.964 1.00 13.11 C ATOM 0 H ILE A 462 -7.618 2.751 -6.808 1.00 41.44 H new ATOM 0 HA ILE A 462 -10.078 4.381 -6.849 1.00 71.43 H new ATOM 0 HB ILE A 462 -7.977 3.983 -4.642 1.00 12.21 H new ATOM 0 HG12 ILE A 462 -10.828 2.925 -4.773 1.00 23.15 H new ATOM 0 HG13 ILE A 462 -9.379 1.958 -4.970 1.00 23.15 H new ATOM 0 HG21 ILE A 462 -9.577 5.237 -3.237 1.00 43.12 H new ATOM 0 HG22 ILE A 462 -9.039 6.199 -4.635 1.00 43.12 H new ATOM 0 HG23 ILE A 462 -10.646 5.436 -4.645 1.00 43.12 H new ATOM 0 HD11 ILE A 462 -10.296 1.711 -2.711 1.00 13.11 H new ATOM 0 HD12 ILE A 462 -8.695 2.486 -2.651 1.00 13.11 H new ATOM 0 HD13 ILE A 462 -10.166 3.467 -2.451 1.00 13.11 H new ATOM 236 N GLN A 463 -8.730 6.418 -7.474 1.00 14.41 N ATOM 237 CA GLN A 463 -7.938 7.590 -7.850 1.00 52.20 C ATOM 238 C GLN A 463 -7.897 8.656 -6.760 1.00 15.21 C ATOM 239 O GLN A 463 -8.938 9.105 -6.255 1.00 61.42 O ATOM 240 CB GLN A 463 -8.394 8.174 -9.169 1.00 53.13 C ATOM 241 CG GLN A 463 -8.043 7.313 -10.360 1.00 54.31 C ATOM 242 CD GLN A 463 -8.600 7.859 -11.656 1.00 54.04 C ATOM 243 OE1 GLN A 463 -9.648 8.507 -11.677 1.00 51.34 O ATOM 244 NE2 GLN A 463 -7.915 7.609 -12.731 1.00 34.53 N ATOM 0 H GLN A 463 -9.722 6.481 -7.701 1.00 14.41 H new ATOM 0 HA GLN A 463 -6.915 7.234 -7.975 1.00 52.20 H new ATOM 0 HB2 GLN A 463 -9.474 8.318 -9.140 1.00 53.13 H new ATOM 0 HB3 GLN A 463 -7.944 9.159 -9.297 1.00 53.13 H new ATOM 0 HG2 GLN A 463 -6.959 7.234 -10.440 1.00 54.31 H new ATOM 0 HG3 GLN A 463 -8.426 6.305 -10.200 1.00 54.31 H new ATOM 0 HE21 GLN A 463 -7.052 7.069 -12.672 1.00 34.53 H new ATOM 0 HE22 GLN A 463 -8.240 7.953 -13.634 1.00 34.53 H new ATOM 253 N LEU A 464 -6.690 9.044 -6.410 1.00 4.32 N ATOM 254 CA LEU A 464 -6.413 10.044 -5.401 1.00 12.13 C ATOM 255 C LEU A 464 -5.742 11.245 -6.023 1.00 31.11 C ATOM 256 O LEU A 464 -4.928 11.102 -6.937 1.00 11.14 O ATOM 257 CB LEU A 464 -5.500 9.458 -4.314 1.00 64.31 C ATOM 258 CG LEU A 464 -6.144 8.620 -3.182 1.00 42.05 C ATOM 259 CD1 LEU A 464 -6.966 9.498 -2.249 1.00 63.32 C ATOM 260 CD2 LEU A 464 -7.007 7.503 -3.708 1.00 71.33 C ATOM 0 H LEU A 464 -5.846 8.659 -6.834 1.00 4.32 H new ATOM 0 HA LEU A 464 -7.358 10.353 -4.954 1.00 12.13 H new ATOM 0 HB2 LEU A 464 -4.756 8.833 -4.807 1.00 64.31 H new ATOM 0 HB3 LEU A 464 -4.963 10.286 -3.850 1.00 64.31 H new ATOM 0 HG LEU A 464 -5.318 8.174 -2.628 1.00 42.05 H new ATOM 0 HD11 LEU A 464 -7.406 8.883 -1.464 1.00 63.32 H new ATOM 0 HD12 LEU A 464 -6.322 10.254 -1.799 1.00 63.32 H new ATOM 0 HD13 LEU A 464 -7.759 9.987 -2.814 1.00 63.32 H new ATOM 0 HD21 LEU A 464 -7.433 6.948 -2.872 1.00 71.33 H new ATOM 0 HD22 LEU A 464 -7.811 7.919 -4.315 1.00 71.33 H new ATOM 0 HD23 LEU A 464 -6.402 6.832 -4.318 1.00 71.33 H new ATOM 272 N LYS A 465 -6.062 12.402 -5.518 1.00 43.30 N ATOM 273 CA LYS A 465 -5.551 13.625 -5.981 1.00 42.23 C ATOM 274 C LYS A 465 -4.501 14.081 -5.011 1.00 40.25 C ATOM 275 O LYS A 465 -4.665 13.946 -3.797 1.00 41.13 O ATOM 276 CB LYS A 465 -6.687 14.656 -6.034 1.00 63.40 C ATOM 277 CG LYS A 465 -6.279 16.047 -6.512 1.00 30.24 C ATOM 278 CD LYS A 465 -5.808 16.046 -7.958 1.00 73.51 C ATOM 279 CE LYS A 465 -6.917 15.605 -8.900 1.00 11.23 C ATOM 280 NZ LYS A 465 -6.501 15.638 -10.316 1.00 55.12 N ATOM 0 H LYS A 465 -6.714 12.504 -4.741 1.00 43.30 H new ATOM 0 HA LYS A 465 -5.123 13.514 -6.977 1.00 42.23 H new ATOM 0 HB2 LYS A 465 -7.469 14.278 -6.692 1.00 63.40 H new ATOM 0 HB3 LYS A 465 -7.123 14.744 -5.039 1.00 63.40 H new ATOM 0 HG2 LYS A 465 -7.125 16.727 -6.408 1.00 30.24 H new ATOM 0 HG3 LYS A 465 -5.483 16.429 -5.873 1.00 30.24 H new ATOM 0 HD2 LYS A 465 -5.470 17.045 -8.233 1.00 73.51 H new ATOM 0 HD3 LYS A 465 -4.952 15.380 -8.063 1.00 73.51 H new ATOM 0 HE2 LYS A 465 -7.230 14.594 -8.640 1.00 11.23 H new ATOM 0 HE3 LYS A 465 -7.784 16.252 -8.764 1.00 11.23 H new ATOM 0 HZ1 LYS A 465 -7.343 15.700 -10.924 1.00 55.12 H new ATOM 0 HZ2 LYS A 465 -5.894 16.466 -10.480 1.00 55.12 H new ATOM 0 HZ3 LYS A 465 -5.973 14.771 -10.543 1.00 55.12 H new ATOM 294 N LYS A 466 -3.422 14.551 -5.534 1.00 1.41 N ATOM 295 CA LYS A 466 -2.357 15.127 -4.742 1.00 62.40 C ATOM 296 C LYS A 466 -2.883 16.253 -3.829 1.00 62.54 C ATOM 297 O LYS A 466 -3.148 17.377 -4.269 1.00 21.53 O ATOM 298 CB LYS A 466 -1.201 15.606 -5.632 1.00 25.15 C ATOM 299 CG LYS A 466 -0.083 16.322 -4.877 1.00 4.22 C ATOM 300 CD LYS A 466 1.080 16.665 -5.790 1.00 72.14 C ATOM 301 CE LYS A 466 1.928 15.466 -6.114 1.00 55.20 C ATOM 302 NZ LYS A 466 2.594 14.912 -4.908 1.00 3.22 N ATOM 0 H LYS A 466 -3.239 14.553 -6.537 1.00 1.41 H new ATOM 0 HA LYS A 466 -1.963 14.345 -4.093 1.00 62.40 H new ATOM 0 HB2 LYS A 466 -0.779 14.747 -6.154 1.00 25.15 H new ATOM 0 HB3 LYS A 466 -1.598 16.278 -6.393 1.00 25.15 H new ATOM 0 HG2 LYS A 466 -0.474 17.235 -4.427 1.00 4.22 H new ATOM 0 HG3 LYS A 466 0.268 15.690 -4.062 1.00 4.22 H new ATOM 0 HD2 LYS A 466 0.697 17.096 -6.715 1.00 72.14 H new ATOM 0 HD3 LYS A 466 1.699 17.427 -5.315 1.00 72.14 H new ATOM 0 HE2 LYS A 466 1.307 14.696 -6.571 1.00 55.20 H new ATOM 0 HE3 LYS A 466 2.683 15.744 -6.849 1.00 55.20 H new ATOM 0 HZ1 LYS A 466 2.501 13.876 -4.905 1.00 3.22 H new ATOM 0 HZ2 LYS A 466 3.602 15.169 -4.919 1.00 3.22 H new ATOM 0 HZ3 LYS A 466 2.146 15.302 -4.054 1.00 3.22 H new ATOM 316 N GLY A 467 -3.098 15.897 -2.568 1.00 1.14 N ATOM 317 CA GLY A 467 -3.557 16.837 -1.583 1.00 32.32 C ATOM 318 C GLY A 467 -2.414 17.594 -0.972 1.00 52.33 C ATOM 319 O GLY A 467 -1.394 17.804 -1.629 1.00 73.32 O ATOM 0 H GLY A 467 -2.957 14.951 -2.213 1.00 1.14 H new ATOM 0 HA2 GLY A 467 -4.254 17.537 -2.043 1.00 32.32 H new ATOM 0 HA3 GLY A 467 -4.104 16.309 -0.802 1.00 32.32 H new ATOM 323 N THR A 468 -2.549 17.951 0.289 1.00 34.01 N ATOM 324 CA THR A 468 -1.552 18.736 1.001 1.00 20.12 C ATOM 325 C THR A 468 -0.165 18.056 0.938 1.00 31.32 C ATOM 326 O THR A 468 0.843 18.704 0.659 1.00 3.11 O ATOM 327 CB THR A 468 -1.987 18.905 2.459 1.00 61.21 C ATOM 328 OG1 THR A 468 -3.367 19.333 2.482 1.00 45.11 O ATOM 329 CG2 THR A 468 -1.128 19.941 3.168 1.00 33.11 C ATOM 0 H THR A 468 -3.360 17.704 0.857 1.00 34.01 H new ATOM 0 HA THR A 468 -1.471 19.714 0.526 1.00 20.12 H new ATOM 0 HB THR A 468 -1.870 17.952 2.976 1.00 61.21 H new ATOM 0 HG1 THR A 468 -3.660 19.444 3.411 1.00 45.11 H new ATOM 0 HG21 THR A 468 -1.458 20.041 4.202 1.00 33.11 H new ATOM 0 HG22 THR A 468 -0.085 19.624 3.149 1.00 33.11 H new ATOM 0 HG23 THR A 468 -1.224 20.901 2.662 1.00 33.11 H new ATOM 337 N GLU A 469 -0.131 16.755 1.174 1.00 1.42 N ATOM 338 CA GLU A 469 1.118 16.006 1.085 1.00 33.12 C ATOM 339 C GLU A 469 1.082 15.022 -0.058 1.00 62.04 C ATOM 340 O GLU A 469 1.990 14.199 -0.210 1.00 22.11 O ATOM 341 CB GLU A 469 1.396 15.247 2.369 1.00 11.32 C ATOM 342 CG GLU A 469 1.583 16.114 3.583 1.00 33.30 C ATOM 343 CD GLU A 469 2.017 15.307 4.770 1.00 4.50 C ATOM 344 OE1 GLU A 469 3.247 15.110 4.933 1.00 12.22 O ATOM 345 OE2 GLU A 469 1.170 14.856 5.536 1.00 62.32 O ATOM 0 H GLU A 469 -0.946 16.196 1.427 1.00 1.42 H new ATOM 0 HA GLU A 469 1.911 16.734 0.915 1.00 33.12 H new ATOM 0 HB2 GLU A 469 0.571 14.559 2.554 1.00 11.32 H new ATOM 0 HB3 GLU A 469 2.291 14.641 2.230 1.00 11.32 H new ATOM 0 HG2 GLU A 469 2.327 16.883 3.372 1.00 33.30 H new ATOM 0 HG3 GLU A 469 0.650 16.628 3.812 1.00 33.30 H new ATOM 352 N GLY A 470 0.058 15.134 -0.888 1.00 63.23 N ATOM 353 CA GLY A 470 -0.191 14.130 -1.907 1.00 52.31 C ATOM 354 C GLY A 470 -0.367 12.799 -1.270 1.00 32.04 C ATOM 355 O GLY A 470 -0.897 12.772 -0.211 1.00 23.35 O ATOM 0 H GLY A 470 -0.610 15.905 -0.876 1.00 63.23 H new ATOM 0 HA2 GLY A 470 -1.082 14.391 -2.478 1.00 52.31 H new ATOM 0 HA3 GLY A 470 0.640 14.099 -2.611 1.00 52.31 H new ATOM 359 N LEU A 471 0.136 11.702 -1.872 1.00 12.42 N ATOM 360 CA LEU A 471 -0.150 10.331 -1.347 1.00 64.53 C ATOM 361 C LEU A 471 -0.025 10.251 0.157 1.00 2.52 C ATOM 362 O LEU A 471 1.066 10.314 0.722 1.00 70.51 O ATOM 363 CB LEU A 471 0.671 9.217 -1.996 1.00 64.21 C ATOM 364 CG LEU A 471 0.500 8.978 -3.502 1.00 23.22 C ATOM 365 CD1 LEU A 471 -0.962 8.972 -3.918 1.00 31.44 C ATOM 366 CD2 LEU A 471 1.315 9.939 -4.317 1.00 30.11 C ATOM 0 H LEU A 471 0.729 11.724 -2.702 1.00 12.42 H new ATOM 0 HA LEU A 471 -1.189 10.158 -1.628 1.00 64.53 H new ATOM 0 HB2 LEU A 471 1.724 9.426 -1.809 1.00 64.21 H new ATOM 0 HB3 LEU A 471 0.435 8.286 -1.481 1.00 64.21 H new ATOM 0 HG LEU A 471 0.887 7.980 -3.709 1.00 23.22 H new ATOM 0 HD11 LEU A 471 -1.034 8.799 -4.992 1.00 31.44 H new ATOM 0 HD12 LEU A 471 -1.488 8.179 -3.387 1.00 31.44 H new ATOM 0 HD13 LEU A 471 -1.414 9.934 -3.674 1.00 31.44 H new ATOM 0 HD21 LEU A 471 1.165 9.735 -5.377 1.00 30.11 H new ATOM 0 HD22 LEU A 471 1.003 10.960 -4.096 1.00 30.11 H new ATOM 0 HD23 LEU A 471 2.370 9.821 -4.071 1.00 30.11 H new ATOM 378 N GLY A 472 -1.166 10.121 0.793 1.00 53.42 N ATOM 379 CA GLY A 472 -1.228 10.174 2.212 1.00 41.04 C ATOM 380 C GLY A 472 -1.308 8.830 2.824 1.00 4.34 C ATOM 381 O GLY A 472 -2.137 8.590 3.683 1.00 53.10 O ATOM 0 H GLY A 472 -2.065 9.977 0.333 1.00 53.42 H new ATOM 0 HA2 GLY A 472 -0.347 10.691 2.592 1.00 41.04 H new ATOM 0 HA3 GLY A 472 -2.097 10.760 2.513 1.00 41.04 H new ATOM 385 N PHE A 473 -0.463 7.957 2.390 1.00 53.33 N ATOM 386 CA PHE A 473 -0.402 6.652 2.937 1.00 44.14 C ATOM 387 C PHE A 473 1.019 6.225 3.036 1.00 30.41 C ATOM 388 O PHE A 473 1.847 6.597 2.214 1.00 21.10 O ATOM 389 CB PHE A 473 -1.264 5.626 2.160 1.00 23.23 C ATOM 390 CG PHE A 473 -0.892 5.397 0.717 1.00 34.34 C ATOM 391 CD1 PHE A 473 -1.393 6.211 -0.276 1.00 22.21 C ATOM 392 CD2 PHE A 473 -0.058 4.346 0.359 1.00 4.15 C ATOM 393 CE1 PHE A 473 -1.070 5.989 -1.592 1.00 50.25 C ATOM 394 CE2 PHE A 473 0.266 4.124 -0.965 1.00 71.32 C ATOM 395 CZ PHE A 473 -0.245 4.949 -1.940 1.00 21.51 C ATOM 0 H PHE A 473 0.207 8.134 1.641 1.00 53.33 H new ATOM 0 HA PHE A 473 -0.835 6.686 3.937 1.00 44.14 H new ATOM 0 HB2 PHE A 473 -1.212 4.671 2.682 1.00 23.23 H new ATOM 0 HB3 PHE A 473 -2.303 5.954 2.198 1.00 23.23 H new ATOM 0 HD1 PHE A 473 -2.046 7.031 -0.017 1.00 22.21 H new ATOM 0 HD2 PHE A 473 0.341 3.696 1.123 1.00 4.15 H new ATOM 0 HE1 PHE A 473 -1.468 6.637 -2.359 1.00 50.25 H new ATOM 0 HE2 PHE A 473 0.918 3.306 -1.234 1.00 71.32 H new ATOM 0 HZ PHE A 473 0.003 4.779 -2.977 1.00 21.51 H new ATOM 405 N SER A 474 1.305 5.502 4.045 1.00 22.43 N ATOM 406 CA SER A 474 2.608 5.003 4.270 1.00 13.01 C ATOM 407 C SER A 474 2.529 3.513 4.154 1.00 2.30 C ATOM 408 O SER A 474 1.570 2.923 4.610 1.00 32.33 O ATOM 409 CB SER A 474 3.037 5.393 5.667 1.00 52.32 C ATOM 410 OG SER A 474 2.892 6.777 5.843 1.00 22.05 O ATOM 0 H SER A 474 0.626 5.232 4.757 1.00 22.43 H new ATOM 0 HA SER A 474 3.327 5.403 3.555 1.00 13.01 H new ATOM 0 HB2 SER A 474 2.436 4.859 6.403 1.00 52.32 H new ATOM 0 HB3 SER A 474 4.075 5.104 5.832 1.00 52.32 H new ATOM 0 HG SER A 474 3.170 7.022 6.750 1.00 22.05 H new ATOM 416 N ILE A 475 3.492 2.919 3.545 1.00 33.45 N ATOM 417 CA ILE A 475 3.476 1.495 3.323 1.00 33.23 C ATOM 418 C ILE A 475 4.536 0.777 4.143 1.00 62.51 C ATOM 419 O ILE A 475 5.569 1.351 4.484 1.00 5.12 O ATOM 420 CB ILE A 475 3.628 1.161 1.833 1.00 3.02 C ATOM 421 CG1 ILE A 475 4.796 1.945 1.225 1.00 11.44 C ATOM 422 CG2 ILE A 475 2.325 1.410 1.071 1.00 20.44 C ATOM 423 CD1 ILE A 475 5.064 1.611 -0.210 1.00 50.34 C ATOM 0 H ILE A 475 4.318 3.395 3.182 1.00 33.45 H new ATOM 0 HA ILE A 475 2.503 1.136 3.658 1.00 33.23 H new ATOM 0 HB ILE A 475 3.853 0.098 1.742 1.00 3.02 H new ATOM 0 HG12 ILE A 475 4.588 3.012 1.308 1.00 11.44 H new ATOM 0 HG13 ILE A 475 5.696 1.750 1.808 1.00 11.44 H new ATOM 0 HG21 ILE A 475 2.466 1.164 0.019 1.00 20.44 H new ATOM 0 HG22 ILE A 475 1.535 0.785 1.487 1.00 20.44 H new ATOM 0 HG23 ILE A 475 2.044 2.459 1.164 1.00 20.44 H new ATOM 0 HD11 ILE A 475 5.904 2.205 -0.571 1.00 50.34 H new ATOM 0 HD12 ILE A 475 5.304 0.551 -0.298 1.00 50.34 H new ATOM 0 HD13 ILE A 475 4.179 1.833 -0.807 1.00 50.34 H new ATOM 435 N THR A 476 4.261 -0.453 4.477 1.00 3.31 N ATOM 436 CA THR A 476 5.167 -1.265 5.251 1.00 33.13 C ATOM 437 C THR A 476 5.083 -2.722 4.780 1.00 73.23 C ATOM 438 O THR A 476 4.049 -3.147 4.228 1.00 2.13 O ATOM 439 CB THR A 476 4.830 -1.165 6.781 1.00 13.13 C ATOM 440 OG1 THR A 476 5.762 -1.929 7.564 1.00 1.33 O ATOM 441 CG2 THR A 476 3.407 -1.647 7.066 1.00 35.21 C ATOM 0 H THR A 476 3.395 -0.927 4.219 1.00 3.31 H new ATOM 0 HA THR A 476 6.183 -0.899 5.103 1.00 33.13 H new ATOM 0 HB THR A 476 4.908 -0.115 7.062 1.00 13.13 H new ATOM 0 HG1 THR A 476 5.533 -1.850 8.514 1.00 1.33 H new ATOM 0 HG21 THR A 476 3.202 -1.566 8.134 1.00 35.21 H new ATOM 0 HG22 THR A 476 2.697 -1.032 6.513 1.00 35.21 H new ATOM 0 HG23 THR A 476 3.306 -2.687 6.755 1.00 35.21 H new ATOM 449 N SER A 477 6.172 -3.447 4.923 1.00 54.41 N ATOM 450 CA SER A 477 6.216 -4.848 4.606 1.00 43.44 C ATOM 451 C SER A 477 7.100 -5.565 5.626 1.00 35.30 C ATOM 452 O SER A 477 8.228 -5.140 5.871 1.00 1.21 O ATOM 453 CB SER A 477 6.776 -5.043 3.197 1.00 13.22 C ATOM 454 OG SER A 477 8.076 -4.499 3.094 1.00 22.05 O ATOM 0 H SER A 477 7.056 -3.072 5.266 1.00 54.41 H new ATOM 0 HA SER A 477 5.209 -5.264 4.643 1.00 43.44 H new ATOM 0 HB2 SER A 477 6.801 -6.105 2.955 1.00 13.22 H new ATOM 0 HB3 SER A 477 6.119 -4.566 2.470 1.00 13.22 H new ATOM 0 HG SER A 477 8.513 -4.527 3.971 1.00 22.05 H new ATOM 460 N ARG A 478 6.604 -6.633 6.195 1.00 32.15 N ATOM 461 CA ARG A 478 7.360 -7.449 7.170 1.00 21.43 C ATOM 462 C ARG A 478 6.845 -8.860 7.133 1.00 1.15 C ATOM 463 O ARG A 478 7.121 -9.673 8.002 1.00 11.42 O ATOM 464 CB ARG A 478 7.250 -6.897 8.606 1.00 61.12 C ATOM 465 CG ARG A 478 7.891 -5.538 8.805 1.00 14.41 C ATOM 466 CD ARG A 478 7.866 -5.128 10.240 1.00 0.13 C ATOM 467 NE ARG A 478 8.404 -3.786 10.430 1.00 44.30 N ATOM 468 CZ ARG A 478 8.714 -3.238 11.604 1.00 13.23 C ATOM 469 NH1 ARG A 478 8.596 -3.945 12.731 1.00 20.21 N ATOM 470 NH2 ARG A 478 9.148 -1.986 11.642 1.00 30.45 N ATOM 0 H ARG A 478 5.663 -6.981 6.009 1.00 32.15 H new ATOM 0 HA ARG A 478 8.413 -7.415 6.889 1.00 21.43 H new ATOM 0 HB2 ARG A 478 6.196 -6.831 8.877 1.00 61.12 H new ATOM 0 HB3 ARG A 478 7.712 -7.607 9.292 1.00 61.12 H new ATOM 0 HG2 ARG A 478 8.921 -5.565 8.451 1.00 14.41 H new ATOM 0 HG3 ARG A 478 7.367 -4.795 8.204 1.00 14.41 H new ATOM 0 HD2 ARG A 478 6.842 -5.165 10.611 1.00 0.13 H new ATOM 0 HD3 ARG A 478 8.444 -5.838 10.831 1.00 0.13 H new ATOM 0 HE ARG A 478 8.555 -3.220 9.595 1.00 44.30 H new ATOM 0 HH11 ARG A 478 8.267 -4.910 12.696 1.00 20.21 H new ATOM 0 HH12 ARG A 478 8.835 -3.520 13.627 1.00 20.21 H new ATOM 0 HH21 ARG A 478 9.242 -1.452 10.778 1.00 30.45 H new ATOM 0 HH22 ARG A 478 9.388 -1.556 12.535 1.00 30.45 H new ATOM 484 N ASP A 479 6.107 -9.145 6.093 1.00 41.20 N ATOM 485 CA ASP A 479 5.478 -10.437 5.907 1.00 32.23 C ATOM 486 C ASP A 479 6.221 -11.189 4.826 1.00 22.13 C ATOM 487 O ASP A 479 5.774 -12.221 4.337 1.00 11.53 O ATOM 488 CB ASP A 479 4.008 -10.250 5.490 1.00 72.34 C ATOM 489 CG ASP A 479 3.189 -9.462 6.493 1.00 62.40 C ATOM 490 OD1 ASP A 479 3.358 -8.225 6.581 1.00 53.42 O ATOM 491 OD2 ASP A 479 2.347 -10.049 7.188 1.00 12.43 O ATOM 0 H ASP A 479 5.920 -8.483 5.340 1.00 41.20 H new ATOM 0 HA ASP A 479 5.510 -10.999 6.841 1.00 32.23 H new ATOM 0 HB2 ASP A 479 3.974 -9.742 4.526 1.00 72.34 H new ATOM 0 HB3 ASP A 479 3.551 -11.230 5.350 1.00 72.34 H new ATOM 496 N VAL A 480 7.369 -10.663 4.456 1.00 52.03 N ATOM 497 CA VAL A 480 8.174 -11.254 3.427 1.00 14.42 C ATOM 498 C VAL A 480 8.976 -12.446 3.959 1.00 65.42 C ATOM 499 O VAL A 480 10.112 -12.320 4.400 1.00 32.42 O ATOM 500 CB VAL A 480 9.075 -10.203 2.689 1.00 43.14 C ATOM 501 CG1 VAL A 480 9.994 -9.437 3.642 1.00 70.41 C ATOM 502 CG2 VAL A 480 9.865 -10.840 1.550 1.00 3.13 C ATOM 0 H VAL A 480 7.764 -9.815 4.864 1.00 52.03 H new ATOM 0 HA VAL A 480 7.491 -11.641 2.670 1.00 14.42 H new ATOM 0 HB VAL A 480 8.395 -9.470 2.256 1.00 43.14 H new ATOM 0 HG11 VAL A 480 10.593 -8.724 3.075 1.00 70.41 H new ATOM 0 HG12 VAL A 480 9.392 -8.902 4.376 1.00 70.41 H new ATOM 0 HG13 VAL A 480 10.653 -10.138 4.154 1.00 70.41 H new ATOM 0 HG21 VAL A 480 10.477 -10.081 1.063 1.00 3.13 H new ATOM 0 HG22 VAL A 480 10.508 -11.625 1.948 1.00 3.13 H new ATOM 0 HG23 VAL A 480 9.175 -11.270 0.824 1.00 3.13 H new ATOM 512 N THR A 481 8.346 -13.581 3.974 1.00 2.52 N ATOM 513 CA THR A 481 8.983 -14.770 4.461 1.00 33.14 C ATOM 514 C THR A 481 8.502 -15.999 3.671 1.00 62.20 C ATOM 515 O THR A 481 8.875 -17.130 3.955 1.00 32.02 O ATOM 516 CB THR A 481 8.757 -14.924 6.008 1.00 65.40 C ATOM 517 OG1 THR A 481 9.457 -16.060 6.530 1.00 10.13 O ATOM 518 CG2 THR A 481 7.276 -15.033 6.348 1.00 53.50 C ATOM 0 H THR A 481 7.386 -13.711 3.653 1.00 2.52 H new ATOM 0 HA THR A 481 10.059 -14.689 4.304 1.00 33.14 H new ATOM 0 HB THR A 481 9.156 -14.024 6.475 1.00 65.40 H new ATOM 0 HG1 THR A 481 9.443 -16.784 5.870 1.00 10.13 H new ATOM 0 HG21 THR A 481 7.157 -15.138 7.426 1.00 53.50 H new ATOM 0 HG22 THR A 481 6.758 -14.135 6.012 1.00 53.50 H new ATOM 0 HG23 THR A 481 6.851 -15.904 5.849 1.00 53.50 H new ATOM 526 N ILE A 482 7.697 -15.745 2.652 1.00 4.24 N ATOM 527 CA ILE A 482 7.187 -16.800 1.773 1.00 61.04 C ATOM 528 C ILE A 482 7.995 -16.713 0.453 1.00 21.34 C ATOM 529 O ILE A 482 7.703 -17.359 -0.553 1.00 1.41 O ATOM 530 CB ILE A 482 5.609 -16.655 1.476 1.00 52.32 C ATOM 531 CG1 ILE A 482 4.748 -16.589 2.768 1.00 72.54 C ATOM 532 CG2 ILE A 482 5.088 -17.812 0.625 1.00 51.42 C ATOM 533 CD1 ILE A 482 4.848 -15.304 3.566 1.00 74.23 C ATOM 0 H ILE A 482 7.376 -14.808 2.407 1.00 4.24 H new ATOM 0 HA ILE A 482 7.309 -17.768 2.260 1.00 61.04 H new ATOM 0 HB ILE A 482 5.511 -15.712 0.938 1.00 52.32 H new ATOM 0 HG12 ILE A 482 3.704 -16.743 2.494 1.00 72.54 H new ATOM 0 HG13 ILE A 482 5.034 -17.419 3.415 1.00 72.54 H new ATOM 0 HG21 ILE A 482 4.021 -17.680 0.445 1.00 51.42 H new ATOM 0 HG22 ILE A 482 5.617 -17.830 -0.328 1.00 51.42 H new ATOM 0 HG23 ILE A 482 5.254 -18.753 1.150 1.00 51.42 H new ATOM 0 HD11 ILE A 482 4.206 -15.370 4.444 1.00 74.23 H new ATOM 0 HD12 ILE A 482 5.880 -15.151 3.881 1.00 74.23 H new ATOM 0 HD13 ILE A 482 4.530 -14.465 2.947 1.00 74.23 H new ATOM 545 N GLY A 483 9.035 -15.916 0.501 1.00 40.21 N ATOM 546 CA GLY A 483 9.874 -15.697 -0.632 1.00 21.20 C ATOM 547 C GLY A 483 10.284 -14.258 -0.703 1.00 63.05 C ATOM 548 O GLY A 483 10.852 -13.726 0.250 1.00 22.41 O ATOM 0 H GLY A 483 9.317 -15.402 1.336 1.00 40.21 H new ATOM 0 HA2 GLY A 483 10.758 -16.332 -0.567 1.00 21.20 H new ATOM 0 HA3 GLY A 483 9.347 -15.978 -1.544 1.00 21.20 H new ATOM 552 N GLY A 484 9.942 -13.610 -1.793 1.00 53.22 N ATOM 553 CA GLY A 484 10.266 -12.240 -1.985 1.00 74.05 C ATOM 554 C GLY A 484 9.003 -11.492 -2.196 1.00 13.22 C ATOM 555 O GLY A 484 9.001 -10.314 -2.552 1.00 1.11 O ATOM 0 H GLY A 484 9.429 -14.032 -2.567 1.00 53.22 H new ATOM 0 HA2 GLY A 484 10.799 -11.850 -1.118 1.00 74.05 H new ATOM 0 HA3 GLY A 484 10.926 -12.122 -2.844 1.00 74.05 H new ATOM 559 N SER A 485 7.911 -12.191 -1.971 1.00 10.01 N ATOM 560 CA SER A 485 6.609 -11.654 -2.087 1.00 73.33 C ATOM 561 C SER A 485 6.249 -10.851 -0.855 1.00 14.11 C ATOM 562 O SER A 485 5.428 -11.261 -0.032 1.00 75.30 O ATOM 563 CB SER A 485 5.608 -12.772 -2.365 1.00 62.00 C ATOM 564 OG SER A 485 5.802 -13.862 -1.449 1.00 41.41 O ATOM 0 H SER A 485 7.925 -13.173 -1.696 1.00 10.01 H new ATOM 0 HA SER A 485 6.576 -10.965 -2.931 1.00 73.33 H new ATOM 0 HB2 SER A 485 4.592 -12.389 -2.273 1.00 62.00 H new ATOM 0 HB3 SER A 485 5.724 -13.125 -3.390 1.00 62.00 H new ATOM 0 HG SER A 485 5.773 -13.525 -0.529 1.00 41.41 H new ATOM 570 N ALA A 486 6.973 -9.782 -0.672 1.00 35.51 N ATOM 571 CA ALA A 486 6.685 -8.836 0.384 1.00 74.41 C ATOM 572 C ALA A 486 5.403 -8.102 0.059 1.00 70.11 C ATOM 573 O ALA A 486 5.352 -7.348 -0.912 1.00 35.44 O ATOM 574 CB ALA A 486 7.821 -7.828 0.554 1.00 73.41 C ATOM 0 H ALA A 486 7.779 -9.537 -1.247 1.00 35.51 H new ATOM 0 HA ALA A 486 6.579 -9.387 1.319 1.00 74.41 H new ATOM 0 HB1 ALA A 486 7.573 -7.132 1.355 1.00 73.41 H new ATOM 0 HB2 ALA A 486 8.741 -8.356 0.804 1.00 73.41 H new ATOM 0 HB3 ALA A 486 7.960 -7.276 -0.376 1.00 73.41 H new ATOM 580 N PRO A 487 4.338 -8.323 0.820 1.00 63.43 N ATOM 581 CA PRO A 487 3.105 -7.647 0.578 1.00 64.12 C ATOM 582 C PRO A 487 3.177 -6.226 1.100 1.00 0.10 C ATOM 583 O PRO A 487 3.671 -5.973 2.208 1.00 30.14 O ATOM 584 CB PRO A 487 2.056 -8.470 1.339 1.00 43.22 C ATOM 585 CG PRO A 487 2.799 -9.602 1.978 1.00 0.12 C ATOM 586 CD PRO A 487 4.250 -9.229 1.963 1.00 1.42 C ATOM 0 HA PRO A 487 2.865 -7.571 -0.483 1.00 64.12 H new ATOM 0 HB2 PRO A 487 1.553 -7.861 2.090 1.00 43.22 H new ATOM 0 HB3 PRO A 487 1.287 -8.842 0.662 1.00 43.22 H new ATOM 0 HG2 PRO A 487 2.452 -9.765 2.998 1.00 0.12 H new ATOM 0 HG3 PRO A 487 2.633 -10.531 1.432 1.00 0.12 H new ATOM 0 HD2 PRO A 487 4.552 -8.742 2.890 1.00 1.42 H new ATOM 0 HD3 PRO A 487 4.891 -10.102 1.838 1.00 1.42 H new ATOM 594 N ILE A 488 2.709 -5.315 0.311 1.00 31.12 N ATOM 595 CA ILE A 488 2.765 -3.927 0.648 1.00 12.12 C ATOM 596 C ILE A 488 1.479 -3.562 1.399 1.00 50.30 C ATOM 597 O ILE A 488 0.391 -3.733 0.870 1.00 4.14 O ATOM 598 CB ILE A 488 2.865 -3.079 -0.649 1.00 54.10 C ATOM 599 CG1 ILE A 488 3.985 -3.588 -1.591 1.00 54.41 C ATOM 600 CG2 ILE A 488 3.080 -1.622 -0.328 1.00 64.42 C ATOM 601 CD1 ILE A 488 5.387 -3.609 -1.010 1.00 3.03 C ATOM 0 H ILE A 488 2.274 -5.512 -0.591 1.00 31.12 H new ATOM 0 HA ILE A 488 3.637 -3.727 1.271 1.00 12.12 H new ATOM 0 HB ILE A 488 1.915 -3.188 -1.171 1.00 54.10 H new ATOM 0 HG12 ILE A 488 3.731 -4.598 -1.911 1.00 54.41 H new ATOM 0 HG13 ILE A 488 3.993 -2.963 -2.484 1.00 54.41 H new ATOM 0 HG21 ILE A 488 3.146 -1.051 -1.254 1.00 64.42 H new ATOM 0 HG22 ILE A 488 2.244 -1.253 0.266 1.00 64.42 H new ATOM 0 HG23 ILE A 488 4.005 -1.506 0.236 1.00 64.42 H new ATOM 0 HD11 ILE A 488 6.086 -3.983 -1.759 1.00 3.03 H new ATOM 0 HD12 ILE A 488 5.675 -2.599 -0.717 1.00 3.03 H new ATOM 0 HD13 ILE A 488 5.409 -4.260 -0.136 1.00 3.03 H new ATOM 613 N TYR A 489 1.599 -3.100 2.620 1.00 12.01 N ATOM 614 CA TYR A 489 0.426 -2.740 3.412 1.00 54.12 C ATOM 615 C TYR A 489 0.473 -1.300 3.843 1.00 74.52 C ATOM 616 O TYR A 489 1.552 -0.728 3.976 1.00 40.23 O ATOM 617 CB TYR A 489 0.287 -3.632 4.649 1.00 53.02 C ATOM 618 CG TYR A 489 0.019 -5.081 4.346 1.00 42.51 C ATOM 619 CD1 TYR A 489 -1.212 -5.476 3.867 1.00 33.51 C ATOM 620 CD2 TYR A 489 0.995 -6.048 4.523 1.00 72.12 C ATOM 621 CE1 TYR A 489 -1.476 -6.792 3.570 1.00 61.25 C ATOM 622 CE2 TYR A 489 0.742 -7.370 4.227 1.00 15.34 C ATOM 623 CZ TYR A 489 -0.498 -7.736 3.746 1.00 2.52 C ATOM 624 OH TYR A 489 -0.759 -9.056 3.436 1.00 0.23 O ATOM 0 H TYR A 489 2.491 -2.961 3.095 1.00 12.01 H new ATOM 0 HA TYR A 489 -0.441 -2.890 2.768 1.00 54.12 H new ATOM 0 HB2 TYR A 489 1.201 -3.560 5.238 1.00 53.02 H new ATOM 0 HB3 TYR A 489 -0.523 -3.248 5.269 1.00 53.02 H new ATOM 0 HD1 TYR A 489 -1.985 -4.736 3.722 1.00 33.51 H new ATOM 0 HD2 TYR A 489 1.967 -5.762 4.898 1.00 72.12 H new ATOM 0 HE1 TYR A 489 -2.449 -7.080 3.200 1.00 61.25 H new ATOM 0 HE2 TYR A 489 1.510 -8.115 4.371 1.00 15.34 H new ATOM 0 HH TYR A 489 0.037 -9.598 3.616 1.00 0.23 H new ATOM 634 N VAL A 490 -0.693 -0.714 4.057 1.00 74.11 N ATOM 635 CA VAL A 490 -0.781 0.652 4.533 1.00 2.51 C ATOM 636 C VAL A 490 -0.515 0.672 6.029 1.00 14.40 C ATOM 637 O VAL A 490 -1.252 0.068 6.804 1.00 12.23 O ATOM 638 CB VAL A 490 -2.185 1.280 4.290 1.00 60.31 C ATOM 639 CG1 VAL A 490 -2.206 2.731 4.733 1.00 23.44 C ATOM 640 CG2 VAL A 490 -2.602 1.166 2.847 1.00 71.00 C ATOM 0 H VAL A 490 -1.594 -1.167 3.907 1.00 74.11 H new ATOM 0 HA VAL A 490 -0.044 1.234 3.980 1.00 2.51 H new ATOM 0 HB VAL A 490 -2.903 0.719 4.889 1.00 60.31 H new ATOM 0 HG11 VAL A 490 -3.196 3.152 4.555 1.00 23.44 H new ATOM 0 HG12 VAL A 490 -1.973 2.790 5.796 1.00 23.44 H new ATOM 0 HG13 VAL A 490 -1.465 3.295 4.167 1.00 23.44 H new ATOM 0 HG21 VAL A 490 -3.587 1.615 2.716 1.00 71.00 H new ATOM 0 HG22 VAL A 490 -1.880 1.686 2.217 1.00 71.00 H new ATOM 0 HG23 VAL A 490 -2.642 0.115 2.562 1.00 71.00 H new ATOM 650 N LYS A 491 0.512 1.370 6.411 1.00 20.23 N ATOM 651 CA LYS A 491 0.908 1.495 7.785 1.00 33.04 C ATOM 652 C LYS A 491 0.111 2.609 8.441 1.00 52.14 C ATOM 653 O LYS A 491 -0.538 2.415 9.458 1.00 55.40 O ATOM 654 CB LYS A 491 2.393 1.862 7.847 1.00 72.14 C ATOM 655 CG LYS A 491 2.956 1.972 9.256 1.00 75.55 C ATOM 656 CD LYS A 491 4.377 2.509 9.252 1.00 41.03 C ATOM 657 CE LYS A 491 4.431 3.971 8.810 1.00 10.03 C ATOM 658 NZ LYS A 491 5.812 4.491 8.766 1.00 2.20 N ATOM 0 H LYS A 491 1.112 1.880 5.763 1.00 20.23 H new ATOM 0 HA LYS A 491 0.728 0.552 8.301 1.00 33.04 H new ATOM 0 HB2 LYS A 491 2.963 1.112 7.299 1.00 72.14 H new ATOM 0 HB3 LYS A 491 2.541 2.813 7.335 1.00 72.14 H new ATOM 0 HG2 LYS A 491 2.321 2.628 9.852 1.00 75.55 H new ATOM 0 HG3 LYS A 491 2.939 0.992 9.733 1.00 75.55 H new ATOM 0 HD2 LYS A 491 4.804 2.415 10.251 1.00 41.03 H new ATOM 0 HD3 LYS A 491 4.992 1.905 8.585 1.00 41.03 H new ATOM 0 HE2 LYS A 491 3.977 4.067 7.824 1.00 10.03 H new ATOM 0 HE3 LYS A 491 3.838 4.578 9.495 1.00 10.03 H new ATOM 0 HZ1 LYS A 491 5.799 5.485 8.461 1.00 2.20 H new ATOM 0 HZ2 LYS A 491 6.238 4.424 9.712 1.00 2.20 H new ATOM 0 HZ3 LYS A 491 6.373 3.930 8.093 1.00 2.20 H new ATOM 672 N ASN A 492 0.157 3.768 7.828 1.00 31.30 N ATOM 673 CA ASN A 492 -0.471 4.954 8.374 1.00 3.31 C ATOM 674 C ASN A 492 -1.050 5.770 7.243 1.00 63.13 C ATOM 675 O ASN A 492 -0.578 5.675 6.102 1.00 64.42 O ATOM 676 CB ASN A 492 0.592 5.810 9.071 1.00 24.53 C ATOM 677 CG ASN A 492 0.042 7.028 9.826 1.00 3.42 C ATOM 678 OD1 ASN A 492 0.693 8.072 9.895 1.00 64.01 O ATOM 679 ND2 ASN A 492 -1.105 6.893 10.441 1.00 44.43 N ATOM 0 H ASN A 492 0.630 3.918 6.937 1.00 31.30 H new ATOM 0 HA ASN A 492 -1.250 4.660 9.077 1.00 3.31 H new ATOM 0 HB2 ASN A 492 1.141 5.182 9.773 1.00 24.53 H new ATOM 0 HB3 ASN A 492 1.308 6.155 8.325 1.00 24.53 H new ATOM 0 HD21 ASN A 492 -1.481 7.663 10.994 1.00 44.43 H new ATOM 0 HD22 ASN A 492 -1.623 6.018 10.367 1.00 44.43 H new ATOM 686 N ILE A 493 -2.052 6.536 7.553 1.00 65.41 N ATOM 687 CA ILE A 493 -2.645 7.468 6.639 1.00 71.12 C ATOM 688 C ILE A 493 -2.305 8.867 7.116 1.00 45.20 C ATOM 689 O ILE A 493 -2.753 9.285 8.186 1.00 42.54 O ATOM 690 CB ILE A 493 -4.189 7.273 6.564 1.00 71.00 C ATOM 691 CG1 ILE A 493 -4.538 5.955 5.885 1.00 61.04 C ATOM 692 CG2 ILE A 493 -4.895 8.427 5.874 1.00 10.01 C ATOM 693 CD1 ILE A 493 -4.159 5.869 4.416 1.00 64.32 C ATOM 0 H ILE A 493 -2.492 6.531 8.473 1.00 65.41 H new ATOM 0 HA ILE A 493 -2.253 7.305 5.635 1.00 71.12 H new ATOM 0 HB ILE A 493 -4.548 7.249 7.593 1.00 71.00 H new ATOM 0 HG12 ILE A 493 -4.042 5.145 6.421 1.00 61.04 H new ATOM 0 HG13 ILE A 493 -5.611 5.789 5.978 1.00 61.04 H new ATOM 0 HG21 ILE A 493 -5.968 8.236 5.851 1.00 10.01 H new ATOM 0 HG22 ILE A 493 -4.702 9.350 6.420 1.00 10.01 H new ATOM 0 HG23 ILE A 493 -4.522 8.524 4.854 1.00 10.01 H new ATOM 0 HD11 ILE A 493 -4.448 4.894 4.022 1.00 64.32 H new ATOM 0 HD12 ILE A 493 -4.675 6.652 3.861 1.00 64.32 H new ATOM 0 HD13 ILE A 493 -3.082 5.999 4.310 1.00 64.32 H new ATOM 705 N LEU A 494 -1.455 9.538 6.360 1.00 0.10 N ATOM 706 CA LEU A 494 -1.046 10.918 6.647 1.00 41.22 C ATOM 707 C LEU A 494 -2.273 11.811 6.821 1.00 44.41 C ATOM 708 O LEU A 494 -3.138 11.867 5.935 1.00 11.11 O ATOM 709 CB LEU A 494 -0.115 11.494 5.543 1.00 12.52 C ATOM 710 CG LEU A 494 1.319 10.906 5.412 1.00 14.21 C ATOM 711 CD1 LEU A 494 1.313 9.429 5.089 1.00 73.51 C ATOM 712 CD2 LEU A 494 2.108 11.661 4.359 1.00 30.14 C ATOM 0 H LEU A 494 -1.022 9.147 5.523 1.00 0.10 H new ATOM 0 HA LEU A 494 -0.478 10.901 7.577 1.00 41.22 H new ATOM 0 HB2 LEU A 494 -0.617 11.366 4.584 1.00 12.52 H new ATOM 0 HB3 LEU A 494 -0.021 12.567 5.713 1.00 12.52 H new ATOM 0 HG LEU A 494 1.798 11.025 6.384 1.00 14.21 H new ATOM 0 HD11 LEU A 494 2.339 9.070 5.009 1.00 73.51 H new ATOM 0 HD12 LEU A 494 0.799 8.885 5.882 1.00 73.51 H new ATOM 0 HD13 LEU A 494 0.796 9.265 4.143 1.00 73.51 H new ATOM 0 HD21 LEU A 494 3.109 11.237 4.280 1.00 30.14 H new ATOM 0 HD22 LEU A 494 1.602 11.579 3.397 1.00 30.14 H new ATOM 0 HD23 LEU A 494 2.180 12.711 4.642 1.00 30.14 H new ATOM 724 N PRO A 495 -2.327 12.561 7.946 1.00 33.21 N ATOM 725 CA PRO A 495 -3.514 13.374 8.374 1.00 64.14 C ATOM 726 C PRO A 495 -3.819 14.587 7.488 1.00 44.52 C ATOM 727 O PRO A 495 -4.517 15.505 7.907 1.00 33.23 O ATOM 728 CB PRO A 495 -3.081 13.872 9.753 1.00 63.32 C ATOM 729 CG PRO A 495 -1.603 13.922 9.669 1.00 64.50 C ATOM 730 CD PRO A 495 -1.221 12.696 8.918 1.00 71.32 C ATOM 0 HA PRO A 495 -4.424 12.775 8.334 1.00 64.14 H new ATOM 0 HB2 PRO A 495 -3.502 14.853 9.973 1.00 63.32 H new ATOM 0 HB3 PRO A 495 -3.413 13.198 10.543 1.00 63.32 H new ATOM 0 HG2 PRO A 495 -1.267 14.822 9.154 1.00 64.50 H new ATOM 0 HG3 PRO A 495 -1.151 13.935 10.661 1.00 64.50 H new ATOM 0 HD2 PRO A 495 -0.256 12.807 8.423 1.00 71.32 H new ATOM 0 HD3 PRO A 495 -1.146 11.827 9.571 1.00 71.32 H new ATOM 738 N ARG A 496 -3.329 14.571 6.283 1.00 55.32 N ATOM 739 CA ARG A 496 -3.497 15.690 5.370 1.00 25.01 C ATOM 740 C ARG A 496 -3.082 15.344 3.939 1.00 21.24 C ATOM 741 O ARG A 496 -3.069 16.199 3.051 1.00 45.43 O ATOM 742 CB ARG A 496 -2.726 16.885 5.852 1.00 61.11 C ATOM 743 CG ARG A 496 -1.270 16.582 6.154 1.00 23.40 C ATOM 744 CD ARG A 496 -0.488 17.832 6.497 1.00 1.21 C ATOM 745 NE ARG A 496 -1.022 18.528 7.663 1.00 62.22 N ATOM 746 CZ ARG A 496 -0.700 19.779 8.008 1.00 62.32 C ATOM 747 NH1 ARG A 496 0.148 20.492 7.256 1.00 65.23 N ATOM 748 NH2 ARG A 496 -1.232 20.317 9.094 1.00 34.31 N ATOM 0 H ARG A 496 -2.801 13.789 5.895 1.00 55.32 H new ATOM 0 HA ARG A 496 -4.561 15.926 5.354 1.00 25.01 H new ATOM 0 HB2 ARG A 496 -2.777 17.670 5.097 1.00 61.11 H new ATOM 0 HB3 ARG A 496 -3.202 17.276 6.751 1.00 61.11 H new ATOM 0 HG2 ARG A 496 -1.211 15.879 6.985 1.00 23.40 H new ATOM 0 HG3 ARG A 496 -0.815 16.095 5.291 1.00 23.40 H new ATOM 0 HD2 ARG A 496 0.552 17.565 6.683 1.00 1.21 H new ATOM 0 HD3 ARG A 496 -0.496 18.507 5.641 1.00 1.21 H new ATOM 0 HE ARG A 496 -1.685 18.027 8.254 1.00 62.22 H new ATOM 0 HH11 ARG A 496 0.552 20.081 6.414 1.00 65.23 H new ATOM 0 HH12 ARG A 496 0.390 21.446 7.525 1.00 65.23 H new ATOM 0 HH21 ARG A 496 -1.884 19.778 9.663 1.00 34.31 H new ATOM 0 HH22 ARG A 496 -0.990 21.271 9.362 1.00 34.31 H new ATOM 762 N GLY A 497 -2.762 14.107 3.711 1.00 65.43 N ATOM 763 CA GLY A 497 -2.383 13.695 2.379 1.00 65.20 C ATOM 764 C GLY A 497 -3.593 13.374 1.493 1.00 65.22 C ATOM 765 O GLY A 497 -4.719 13.656 1.852 1.00 53.11 O ATOM 0 H GLY A 497 -2.753 13.368 4.414 1.00 65.43 H new ATOM 0 HA2 GLY A 497 -1.795 14.485 1.912 1.00 65.20 H new ATOM 0 HA3 GLY A 497 -1.741 12.816 2.443 1.00 65.20 H new ATOM 769 N ALA A 498 -3.333 12.760 0.358 1.00 75.31 N ATOM 770 CA ALA A 498 -4.297 12.465 -0.650 1.00 22.53 C ATOM 771 C ALA A 498 -5.446 11.659 -0.087 1.00 22.01 C ATOM 772 O ALA A 498 -6.609 11.986 -0.273 1.00 72.04 O ATOM 773 CB ALA A 498 -3.629 11.656 -1.751 1.00 4.23 C ATOM 0 H ALA A 498 -2.395 12.443 0.113 1.00 75.31 H new ATOM 0 HA ALA A 498 -4.687 13.405 -1.040 1.00 22.53 H new ATOM 0 HB1 ALA A 498 -4.359 11.425 -2.527 1.00 4.23 H new ATOM 0 HB2 ALA A 498 -2.811 12.234 -2.182 1.00 4.23 H new ATOM 0 HB3 ALA A 498 -3.237 10.728 -1.334 1.00 4.23 H new ATOM 779 N ALA A 499 -5.081 10.615 0.670 1.00 21.22 N ATOM 780 CA ALA A 499 -6.021 9.658 1.209 1.00 51.23 C ATOM 781 C ALA A 499 -7.089 10.311 2.068 1.00 72.53 C ATOM 782 O ALA A 499 -8.242 9.924 1.998 1.00 52.11 O ATOM 783 CB ALA A 499 -5.285 8.588 1.989 1.00 3.04 C ATOM 0 H ALA A 499 -4.111 10.421 0.920 1.00 21.22 H new ATOM 0 HA ALA A 499 -6.536 9.198 0.366 1.00 51.23 H new ATOM 0 HB1 ALA A 499 -6.002 7.872 2.391 1.00 3.04 H new ATOM 0 HB2 ALA A 499 -4.588 8.072 1.329 1.00 3.04 H new ATOM 0 HB3 ALA A 499 -4.735 9.049 2.809 1.00 3.04 H new ATOM 789 N ILE A 500 -6.710 11.277 2.873 1.00 11.33 N ATOM 790 CA ILE A 500 -7.670 11.974 3.721 1.00 32.53 C ATOM 791 C ILE A 500 -8.455 13.040 2.963 1.00 63.14 C ATOM 792 O ILE A 500 -9.666 13.172 3.147 1.00 45.14 O ATOM 793 CB ILE A 500 -7.008 12.571 4.973 1.00 1.22 C ATOM 794 CG1 ILE A 500 -8.024 13.284 5.864 1.00 3.12 C ATOM 795 CG2 ILE A 500 -5.881 13.484 4.607 1.00 55.24 C ATOM 796 CD1 ILE A 500 -7.401 13.915 7.076 1.00 52.21 C ATOM 0 H ILE A 500 -5.748 11.603 2.964 1.00 11.33 H new ATOM 0 HA ILE A 500 -8.383 11.218 4.049 1.00 32.53 H new ATOM 0 HB ILE A 500 -6.595 11.741 5.547 1.00 1.22 H new ATOM 0 HG12 ILE A 500 -8.533 14.052 5.282 1.00 3.12 H new ATOM 0 HG13 ILE A 500 -8.784 12.570 6.183 1.00 3.12 H new ATOM 0 HG21 ILE A 500 -5.433 13.891 5.514 1.00 55.24 H new ATOM 0 HG22 ILE A 500 -5.128 12.927 4.048 1.00 55.24 H new ATOM 0 HG23 ILE A 500 -6.259 14.300 3.992 1.00 55.24 H new ATOM 0 HD11 ILE A 500 -8.173 14.405 7.668 1.00 52.21 H new ATOM 0 HD12 ILE A 500 -6.916 13.146 7.677 1.00 52.21 H new ATOM 0 HD13 ILE A 500 -6.661 14.652 6.763 1.00 52.21 H new ATOM 808 N GLN A 501 -7.771 13.772 2.090 1.00 33.32 N ATOM 809 CA GLN A 501 -8.391 14.871 1.366 1.00 50.24 C ATOM 810 C GLN A 501 -9.435 14.355 0.391 1.00 51.32 C ATOM 811 O GLN A 501 -10.497 14.957 0.221 1.00 34.24 O ATOM 812 CB GLN A 501 -7.341 15.729 0.644 1.00 55.01 C ATOM 813 CG GLN A 501 -6.232 16.305 1.549 1.00 34.55 C ATOM 814 CD GLN A 501 -6.730 17.196 2.684 1.00 72.34 C ATOM 815 OE1 GLN A 501 -7.834 17.024 3.199 1.00 33.24 O ATOM 816 NE2 GLN A 501 -5.917 18.135 3.094 1.00 14.20 N ATOM 0 H GLN A 501 -6.787 13.622 1.868 1.00 33.32 H new ATOM 0 HA GLN A 501 -8.892 15.508 2.095 1.00 50.24 H new ATOM 0 HB2 GLN A 501 -6.876 15.126 -0.136 1.00 55.01 H new ATOM 0 HB3 GLN A 501 -7.849 16.556 0.147 1.00 55.01 H new ATOM 0 HG2 GLN A 501 -5.666 15.478 1.977 1.00 34.55 H new ATOM 0 HG3 GLN A 501 -5.541 16.879 0.932 1.00 34.55 H new ATOM 0 HE21 GLN A 501 -5.008 18.253 2.647 1.00 14.20 H new ATOM 0 HE22 GLN A 501 -6.192 18.749 3.861 1.00 14.20 H new ATOM 825 N ASP A 502 -9.145 13.233 -0.226 1.00 63.55 N ATOM 826 CA ASP A 502 -10.094 12.604 -1.140 1.00 21.03 C ATOM 827 C ASP A 502 -10.947 11.626 -0.394 1.00 15.54 C ATOM 828 O ASP A 502 -12.044 11.282 -0.837 1.00 24.41 O ATOM 829 CB ASP A 502 -9.410 11.908 -2.312 1.00 54.22 C ATOM 830 CG ASP A 502 -8.776 12.855 -3.304 1.00 53.31 C ATOM 831 OD1 ASP A 502 -7.605 13.205 -3.137 1.00 15.32 O ATOM 832 OD2 ASP A 502 -9.463 13.259 -4.286 1.00 35.23 O ATOM 0 H ASP A 502 -8.264 12.731 -0.118 1.00 63.55 H new ATOM 0 HA ASP A 502 -10.713 13.399 -1.557 1.00 21.03 H new ATOM 0 HB2 ASP A 502 -8.643 11.237 -1.925 1.00 54.22 H new ATOM 0 HB3 ASP A 502 -10.142 11.290 -2.832 1.00 54.22 H new ATOM 837 N GLY A 503 -10.439 11.170 0.751 1.00 13.12 N ATOM 838 CA GLY A 503 -11.203 10.303 1.597 1.00 53.22 C ATOM 839 C GLY A 503 -11.541 8.975 0.994 1.00 43.34 C ATOM 840 O GLY A 503 -12.717 8.609 0.902 1.00 54.54 O ATOM 0 H GLY A 503 -9.506 11.394 1.098 1.00 13.12 H new ATOM 0 HA2 GLY A 503 -10.647 10.136 2.520 1.00 53.22 H new ATOM 0 HA3 GLY A 503 -12.129 10.809 1.870 1.00 53.22 H new ATOM 844 N ARG A 504 -10.549 8.251 0.566 1.00 73.54 N ATOM 845 CA ARG A 504 -10.801 6.959 -0.003 1.00 1.22 C ATOM 846 C ARG A 504 -10.017 5.884 0.731 1.00 25.23 C ATOM 847 O ARG A 504 -10.578 5.129 1.505 1.00 21.53 O ATOM 848 CB ARG A 504 -10.480 6.926 -1.496 1.00 13.01 C ATOM 849 CG ARG A 504 -11.251 7.928 -2.374 1.00 35.55 C ATOM 850 CD ARG A 504 -12.769 7.746 -2.299 1.00 33.52 C ATOM 851 NE ARG A 504 -13.218 6.389 -2.668 1.00 20.11 N ATOM 852 CZ ARG A 504 -14.448 6.089 -3.129 1.00 51.01 C ATOM 853 NH1 ARG A 504 -15.305 7.063 -3.424 1.00 14.23 N ATOM 854 NH2 ARG A 504 -14.797 4.814 -3.320 1.00 44.40 N ATOM 0 H ARG A 504 -9.568 8.528 0.599 1.00 73.54 H new ATOM 0 HA ARG A 504 -11.866 6.756 0.112 1.00 1.22 H new ATOM 0 HB2 ARG A 504 -9.413 7.109 -1.622 1.00 13.01 H new ATOM 0 HB3 ARG A 504 -10.677 5.921 -1.868 1.00 13.01 H new ATOM 0 HG2 ARG A 504 -10.997 8.942 -2.067 1.00 35.55 H new ATOM 0 HG3 ARG A 504 -10.928 7.818 -3.409 1.00 35.55 H new ATOM 0 HD2 ARG A 504 -13.104 7.968 -1.286 1.00 33.52 H new ATOM 0 HD3 ARG A 504 -13.247 8.470 -2.959 1.00 33.52 H new ATOM 0 HE ARG A 504 -12.550 5.625 -2.567 1.00 20.11 H new ATOM 0 HH11 ARG A 504 -15.031 8.038 -3.301 1.00 14.23 H new ATOM 0 HH12 ARG A 504 -16.236 6.835 -3.773 1.00 14.23 H new ATOM 0 HH21 ARG A 504 -14.132 4.067 -3.117 1.00 44.40 H new ATOM 0 HH22 ARG A 504 -15.728 4.587 -3.669 1.00 44.40 H new ATOM 868 N LEU A 505 -8.718 5.842 0.508 1.00 15.44 N ATOM 869 CA LEU A 505 -7.876 4.825 1.121 1.00 22.22 C ATOM 870 C LEU A 505 -7.658 5.090 2.604 1.00 64.13 C ATOM 871 O LEU A 505 -7.452 6.236 3.018 1.00 60.32 O ATOM 872 CB LEU A 505 -6.523 4.705 0.384 1.00 14.24 C ATOM 873 CG LEU A 505 -5.518 3.715 0.995 1.00 1.51 C ATOM 874 CD1 LEU A 505 -6.074 2.304 0.970 1.00 31.24 C ATOM 875 CD2 LEU A 505 -4.185 3.777 0.281 1.00 63.10 C ATOM 0 H LEU A 505 -8.220 6.499 -0.093 1.00 15.44 H new ATOM 0 HA LEU A 505 -8.402 3.875 1.030 1.00 22.22 H new ATOM 0 HB2 LEU A 505 -6.717 4.408 -0.647 1.00 14.24 H new ATOM 0 HB3 LEU A 505 -6.059 5.691 0.350 1.00 14.24 H new ATOM 0 HG LEU A 505 -5.354 4.003 2.034 1.00 1.51 H new ATOM 0 HD11 LEU A 505 -5.347 1.619 1.407 1.00 31.24 H new ATOM 0 HD12 LEU A 505 -6.999 2.267 1.545 1.00 31.24 H new ATOM 0 HD13 LEU A 505 -6.276 2.011 -0.060 1.00 31.24 H new ATOM 0 HD21 LEU A 505 -3.495 3.066 0.736 1.00 63.10 H new ATOM 0 HD22 LEU A 505 -4.324 3.526 -0.771 1.00 63.10 H new ATOM 0 HD23 LEU A 505 -3.775 4.783 0.363 1.00 63.10 H new ATOM 887 N LYS A 506 -7.728 4.037 3.388 1.00 61.33 N ATOM 888 CA LYS A 506 -7.486 4.105 4.800 1.00 11.21 C ATOM 889 C LYS A 506 -6.413 3.091 5.264 1.00 4.42 C ATOM 890 O LYS A 506 -5.931 2.295 4.466 1.00 74.13 O ATOM 891 CB LYS A 506 -8.797 4.129 5.638 1.00 35.42 C ATOM 892 CG LYS A 506 -9.918 3.161 5.214 1.00 44.43 C ATOM 893 CD LYS A 506 -9.533 1.700 5.310 1.00 23.12 C ATOM 894 CE LYS A 506 -9.215 1.275 6.725 1.00 53.00 C ATOM 895 NZ LYS A 506 -8.831 -0.143 6.785 1.00 44.41 N ATOM 0 H LYS A 506 -7.958 3.102 3.053 1.00 61.33 H new ATOM 0 HA LYS A 506 -7.037 5.076 5.007 1.00 11.21 H new ATOM 0 HB2 LYS A 506 -8.540 3.915 6.675 1.00 35.42 H new ATOM 0 HB3 LYS A 506 -9.197 5.143 5.611 1.00 35.42 H new ATOM 0 HG2 LYS A 506 -10.794 3.338 5.839 1.00 44.43 H new ATOM 0 HG3 LYS A 506 -10.209 3.384 4.187 1.00 44.43 H new ATOM 0 HD2 LYS A 506 -10.348 1.087 4.925 1.00 23.12 H new ATOM 0 HD3 LYS A 506 -8.667 1.514 4.675 1.00 23.12 H new ATOM 0 HE2 LYS A 506 -8.405 1.890 7.118 1.00 53.00 H new ATOM 0 HE3 LYS A 506 -10.083 1.446 7.362 1.00 53.00 H new ATOM 0 HZ1 LYS A 506 -8.091 -0.272 7.504 1.00 44.41 H new ATOM 0 HZ2 LYS A 506 -9.661 -0.717 7.036 1.00 44.41 H new ATOM 0 HZ3 LYS A 506 -8.469 -0.444 5.858 1.00 44.41 H new ATOM 909 N ALA A 507 -6.027 3.150 6.536 1.00 10.31 N ATOM 910 CA ALA A 507 -4.897 2.364 7.035 1.00 23.41 C ATOM 911 C ALA A 507 -5.270 0.928 7.401 1.00 21.13 C ATOM 912 O ALA A 507 -6.311 0.672 8.012 1.00 62.13 O ATOM 913 CB ALA A 507 -4.212 3.079 8.207 1.00 23.41 C ATOM 0 H ALA A 507 -6.478 3.733 7.241 1.00 10.31 H new ATOM 0 HA ALA A 507 -4.188 2.285 6.210 1.00 23.41 H new ATOM 0 HB1 ALA A 507 -3.375 2.477 8.562 1.00 23.41 H new ATOM 0 HB2 ALA A 507 -3.845 4.051 7.876 1.00 23.41 H new ATOM 0 HB3 ALA A 507 -4.928 3.218 9.017 1.00 23.41 H new ATOM 919 N GLY A 508 -4.396 0.003 7.045 1.00 51.22 N ATOM 920 CA GLY A 508 -4.616 -1.405 7.329 1.00 71.50 C ATOM 921 C GLY A 508 -5.012 -2.193 6.095 1.00 25.42 C ATOM 922 O GLY A 508 -5.475 -3.329 6.194 1.00 23.31 O ATOM 0 H GLY A 508 -3.523 0.203 6.556 1.00 51.22 H new ATOM 0 HA2 GLY A 508 -3.707 -1.833 7.753 1.00 71.50 H new ATOM 0 HA3 GLY A 508 -5.396 -1.502 8.084 1.00 71.50 H new ATOM 926 N ASP A 509 -4.829 -1.599 4.949 1.00 71.50 N ATOM 927 CA ASP A 509 -5.202 -2.209 3.677 1.00 53.35 C ATOM 928 C ASP A 509 -3.970 -2.638 2.918 1.00 54.43 C ATOM 929 O ASP A 509 -2.858 -2.187 3.224 1.00 74.30 O ATOM 930 CB ASP A 509 -6.027 -1.219 2.842 1.00 1.31 C ATOM 931 CG ASP A 509 -7.351 -0.870 3.498 1.00 64.23 C ATOM 932 OD1 ASP A 509 -7.354 -0.377 4.636 1.00 63.42 O ATOM 933 OD2 ASP A 509 -8.404 -1.073 2.878 1.00 15.34 O ATOM 0 H ASP A 509 -4.415 -0.671 4.857 1.00 71.50 H new ATOM 0 HA ASP A 509 -5.809 -3.092 3.876 1.00 53.35 H new ATOM 0 HB2 ASP A 509 -5.449 -0.307 2.689 1.00 1.31 H new ATOM 0 HB3 ASP A 509 -6.214 -1.647 1.857 1.00 1.31 H new ATOM 938 N ARG A 510 -4.144 -3.506 1.943 1.00 52.12 N ATOM 939 CA ARG A 510 -3.019 -3.993 1.175 1.00 52.14 C ATOM 940 C ARG A 510 -2.941 -3.294 -0.151 1.00 55.23 C ATOM 941 O ARG A 510 -3.939 -3.169 -0.848 1.00 3.14 O ATOM 942 CB ARG A 510 -3.127 -5.491 0.903 1.00 72.50 C ATOM 943 CG ARG A 510 -1.889 -6.071 0.210 1.00 32.00 C ATOM 944 CD ARG A 510 -2.143 -7.456 -0.309 1.00 34.43 C ATOM 945 NE ARG A 510 -0.921 -8.110 -0.791 1.00 44.22 N ATOM 946 CZ ARG A 510 -0.897 -9.173 -1.619 1.00 4.24 C ATOM 947 NH1 ARG A 510 -2.033 -9.665 -2.104 1.00 62.03 N ATOM 948 NH2 ARG A 510 0.260 -9.744 -1.950 1.00 74.04 N ATOM 0 H ARG A 510 -5.049 -3.887 1.665 1.00 52.12 H new ATOM 0 HA ARG A 510 -2.127 -3.793 1.769 1.00 52.14 H new ATOM 0 HB2 ARG A 510 -3.286 -6.014 1.846 1.00 72.50 H new ATOM 0 HB3 ARG A 510 -4.004 -5.679 0.283 1.00 72.50 H new ATOM 0 HG2 ARG A 510 -1.595 -5.421 -0.614 1.00 32.00 H new ATOM 0 HG3 ARG A 510 -1.055 -6.092 0.912 1.00 32.00 H new ATOM 0 HD2 ARG A 510 -2.587 -8.061 0.482 1.00 34.43 H new ATOM 0 HD3 ARG A 510 -2.870 -7.409 -1.120 1.00 34.43 H new ATOM 0 HE ARG A 510 -0.027 -7.733 -0.477 1.00 44.22 H new ATOM 0 HH11 ARG A 510 -2.924 -9.238 -1.849 1.00 62.03 H new ATOM 0 HH12 ARG A 510 -2.014 -10.470 -2.731 1.00 62.03 H new ATOM 0 HH21 ARG A 510 1.135 -9.377 -1.576 1.00 74.04 H new ATOM 0 HH22 ARG A 510 0.271 -10.548 -2.577 1.00 74.04 H new ATOM 962 N LEU A 511 -1.770 -2.885 -0.495 1.00 1.45 N ATOM 963 CA LEU A 511 -1.494 -2.294 -1.774 1.00 54.13 C ATOM 964 C LEU A 511 -1.171 -3.378 -2.795 1.00 23.02 C ATOM 965 O LEU A 511 -0.402 -4.305 -2.508 1.00 50.30 O ATOM 966 CB LEU A 511 -0.323 -1.308 -1.675 1.00 62.01 C ATOM 967 CG LEU A 511 -0.647 0.177 -1.501 1.00 44.40 C ATOM 968 CD1 LEU A 511 -1.364 0.707 -2.732 1.00 30.40 C ATOM 969 CD2 LEU A 511 -1.470 0.417 -0.260 1.00 3.20 C ATOM 0 H LEU A 511 -0.954 -2.950 0.113 1.00 1.45 H new ATOM 0 HA LEU A 511 -2.381 -1.750 -2.097 1.00 54.13 H new ATOM 0 HB2 LEU A 511 0.301 -1.614 -0.835 1.00 62.01 H new ATOM 0 HB3 LEU A 511 0.280 -1.415 -2.576 1.00 62.01 H new ATOM 0 HG LEU A 511 0.293 0.717 -1.383 1.00 44.40 H new ATOM 0 HD11 LEU A 511 -1.589 1.765 -2.595 1.00 30.40 H new ATOM 0 HD12 LEU A 511 -0.726 0.582 -3.607 1.00 30.40 H new ATOM 0 HD13 LEU A 511 -2.292 0.155 -2.878 1.00 30.40 H new ATOM 0 HD21 LEU A 511 -1.683 1.482 -0.165 1.00 3.20 H new ATOM 0 HD22 LEU A 511 -2.407 -0.136 -0.332 1.00 3.20 H new ATOM 0 HD23 LEU A 511 -0.916 0.079 0.615 1.00 3.20 H new ATOM 981 N ILE A 512 -1.779 -3.287 -3.955 1.00 25.02 N ATOM 982 CA ILE A 512 -1.493 -4.203 -5.053 1.00 41.14 C ATOM 983 C ILE A 512 -0.797 -3.442 -6.164 1.00 25.43 C ATOM 984 O ILE A 512 0.134 -3.945 -6.795 1.00 74.42 O ATOM 985 CB ILE A 512 -2.776 -4.864 -5.626 1.00 72.15 C ATOM 986 CG1 ILE A 512 -3.543 -5.636 -4.542 1.00 50.13 C ATOM 987 CG2 ILE A 512 -2.414 -5.797 -6.784 1.00 4.04 C ATOM 988 CD1 ILE A 512 -2.774 -6.795 -3.940 1.00 20.30 C ATOM 0 H ILE A 512 -2.484 -2.582 -4.171 1.00 25.02 H new ATOM 0 HA ILE A 512 -0.858 -4.997 -4.660 1.00 41.14 H new ATOM 0 HB ILE A 512 -3.427 -4.071 -5.994 1.00 72.15 H new ATOM 0 HG12 ILE A 512 -3.818 -4.944 -3.745 1.00 50.13 H new ATOM 0 HG13 ILE A 512 -4.471 -6.014 -4.970 1.00 50.13 H new ATOM 0 HG21 ILE A 512 -3.321 -6.256 -7.179 1.00 4.04 H new ATOM 0 HG22 ILE A 512 -1.924 -5.226 -7.572 1.00 4.04 H new ATOM 0 HG23 ILE A 512 -1.740 -6.575 -6.427 1.00 4.04 H new ATOM 0 HD11 ILE A 512 -3.388 -7.285 -3.184 1.00 20.30 H new ATOM 0 HD12 ILE A 512 -2.522 -7.510 -4.723 1.00 20.30 H new ATOM 0 HD13 ILE A 512 -1.858 -6.424 -3.479 1.00 20.30 H new ATOM 1000 N GLU A 513 -1.242 -2.235 -6.383 1.00 42.45 N ATOM 1001 CA GLU A 513 -0.676 -1.381 -7.383 1.00 13.22 C ATOM 1002 C GLU A 513 -0.927 0.047 -7.009 1.00 34.32 C ATOM 1003 O GLU A 513 -1.907 0.365 -6.364 1.00 20.13 O ATOM 1004 CB GLU A 513 -1.255 -1.701 -8.779 1.00 24.44 C ATOM 1005 CG GLU A 513 -0.807 -0.801 -9.904 1.00 13.51 C ATOM 1006 CD GLU A 513 -1.445 -1.164 -11.214 1.00 21.12 C ATOM 1007 OE1 GLU A 513 -1.101 -2.222 -11.784 1.00 61.12 O ATOM 1008 OE2 GLU A 513 -2.318 -0.403 -11.689 1.00 41.04 O ATOM 0 H GLU A 513 -2.015 -1.816 -5.866 1.00 42.45 H new ATOM 0 HA GLU A 513 0.399 -1.553 -7.434 1.00 13.22 H new ATOM 0 HB2 GLU A 513 -0.990 -2.727 -9.034 1.00 24.44 H new ATOM 0 HB3 GLU A 513 -2.342 -1.659 -8.718 1.00 24.44 H new ATOM 0 HG2 GLU A 513 -1.050 0.233 -9.658 1.00 13.51 H new ATOM 0 HG3 GLU A 513 0.277 -0.858 -10.002 1.00 13.51 H new ATOM 1015 N VAL A 514 -0.037 0.868 -7.376 1.00 24.41 N ATOM 1016 CA VAL A 514 -0.137 2.266 -7.166 1.00 33.14 C ATOM 1017 C VAL A 514 0.306 2.948 -8.442 1.00 12.35 C ATOM 1018 O VAL A 514 1.371 2.628 -8.993 1.00 22.14 O ATOM 1019 CB VAL A 514 0.702 2.732 -5.933 1.00 63.30 C ATOM 1020 CG1 VAL A 514 2.129 2.314 -6.083 1.00 41.30 C ATOM 1021 CG2 VAL A 514 0.616 4.232 -5.732 1.00 63.21 C ATOM 0 H VAL A 514 0.820 0.586 -7.851 1.00 24.41 H new ATOM 0 HA VAL A 514 -1.167 2.538 -6.935 1.00 33.14 H new ATOM 0 HB VAL A 514 0.281 2.252 -5.050 1.00 63.30 H new ATOM 0 HG11 VAL A 514 2.699 2.647 -5.215 1.00 41.30 H new ATOM 0 HG12 VAL A 514 2.184 1.228 -6.158 1.00 41.30 H new ATOM 0 HG13 VAL A 514 2.546 2.762 -6.985 1.00 41.30 H new ATOM 0 HG21 VAL A 514 1.212 4.518 -4.865 1.00 63.21 H new ATOM 0 HG22 VAL A 514 0.997 4.740 -6.618 1.00 63.21 H new ATOM 0 HG23 VAL A 514 -0.423 4.518 -5.568 1.00 63.21 H new ATOM 1031 N ASN A 515 -0.553 3.800 -8.953 1.00 73.22 N ATOM 1032 CA ASN A 515 -0.372 4.562 -10.162 1.00 70.43 C ATOM 1033 C ASN A 515 -0.479 3.681 -11.419 1.00 51.12 C ATOM 1034 O ASN A 515 -1.259 3.963 -12.342 1.00 3.21 O ATOM 1035 CB ASN A 515 0.909 5.389 -10.147 1.00 63.14 C ATOM 1036 CG ASN A 515 0.830 6.445 -11.186 1.00 60.12 C ATOM 1037 OD1 ASN A 515 1.255 6.270 -12.322 1.00 73.23 O ATOM 1038 ND2 ASN A 515 0.245 7.556 -10.798 1.00 14.14 N ATOM 0 H ASN A 515 -1.450 3.989 -8.507 1.00 73.22 H new ATOM 0 HA ASN A 515 -1.195 5.276 -10.203 1.00 70.43 H new ATOM 0 HB2 ASN A 515 1.051 5.840 -9.165 1.00 63.14 H new ATOM 0 HB3 ASN A 515 1.771 4.747 -10.331 1.00 63.14 H new ATOM 0 HD21 ASN A 515 0.126 8.326 -11.456 1.00 14.14 H new ATOM 0 HD22 ASN A 515 -0.090 7.648 -9.839 1.00 14.14 H new ATOM 1045 N GLY A 516 0.270 2.634 -11.429 1.00 40.11 N ATOM 1046 CA GLY A 516 0.265 1.686 -12.501 1.00 72.21 C ATOM 1047 C GLY A 516 1.491 0.837 -12.422 1.00 64.42 C ATOM 1048 O GLY A 516 2.019 0.387 -13.433 1.00 44.24 O ATOM 0 H GLY A 516 0.920 2.403 -10.678 1.00 40.11 H new ATOM 0 HA2 GLY A 516 -0.627 1.062 -12.444 1.00 72.21 H new ATOM 0 HA3 GLY A 516 0.230 2.205 -13.459 1.00 72.21 H new ATOM 1052 N VAL A 517 1.957 0.636 -11.212 1.00 64.20 N ATOM 1053 CA VAL A 517 3.179 -0.087 -10.976 1.00 42.43 C ATOM 1054 C VAL A 517 2.910 -1.275 -10.066 1.00 54.40 C ATOM 1055 O VAL A 517 2.215 -1.135 -9.052 1.00 40.40 O ATOM 1056 CB VAL A 517 4.280 0.841 -10.370 1.00 54.42 C ATOM 1057 CG1 VAL A 517 5.570 0.083 -10.168 1.00 51.33 C ATOM 1058 CG2 VAL A 517 4.523 2.028 -11.287 1.00 54.34 C ATOM 0 H VAL A 517 1.498 0.970 -10.365 1.00 64.20 H new ATOM 0 HA VAL A 517 3.552 -0.453 -11.932 1.00 42.43 H new ATOM 0 HB VAL A 517 3.930 1.197 -9.401 1.00 54.42 H new ATOM 0 HG11 VAL A 517 6.321 0.750 -9.745 1.00 51.33 H new ATOM 0 HG12 VAL A 517 5.399 -0.750 -9.486 1.00 51.33 H new ATOM 0 HG13 VAL A 517 5.922 -0.299 -11.127 1.00 51.33 H new ATOM 0 HG21 VAL A 517 5.292 2.669 -10.856 1.00 54.34 H new ATOM 0 HG22 VAL A 517 4.852 1.672 -12.263 1.00 54.34 H new ATOM 0 HG23 VAL A 517 3.599 2.595 -11.400 1.00 54.34 H new ATOM 1068 N ASP A 518 3.452 -2.428 -10.424 1.00 13.42 N ATOM 1069 CA ASP A 518 3.258 -3.651 -9.647 1.00 35.23 C ATOM 1070 C ASP A 518 4.126 -3.619 -8.433 1.00 34.41 C ATOM 1071 O ASP A 518 5.207 -3.049 -8.456 1.00 14.21 O ATOM 1072 CB ASP A 518 3.526 -4.911 -10.473 1.00 30.43 C ATOM 1073 CG ASP A 518 2.495 -5.140 -11.553 1.00 45.21 C ATOM 1074 OD1 ASP A 518 2.587 -4.516 -12.636 1.00 60.13 O ATOM 1075 OD2 ASP A 518 1.588 -5.979 -11.359 1.00 72.42 O ATOM 0 H ASP A 518 4.034 -2.547 -11.253 1.00 13.42 H new ATOM 0 HA ASP A 518 2.212 -3.692 -9.344 1.00 35.23 H new ATOM 0 HB2 ASP A 518 4.513 -4.836 -10.930 1.00 30.43 H new ATOM 0 HB3 ASP A 518 3.547 -5.776 -9.810 1.00 30.43 H new ATOM 1080 N LEU A 519 3.672 -4.229 -7.386 1.00 31.43 N ATOM 1081 CA LEU A 519 4.341 -4.109 -6.115 1.00 64.51 C ATOM 1082 C LEU A 519 4.989 -5.378 -5.665 1.00 24.32 C ATOM 1083 O LEU A 519 6.133 -5.371 -5.239 1.00 34.14 O ATOM 1084 CB LEU A 519 3.347 -3.706 -5.073 1.00 73.32 C ATOM 1085 CG LEU A 519 2.551 -2.467 -5.361 1.00 50.44 C ATOM 1086 CD1 LEU A 519 1.656 -2.164 -4.202 1.00 45.50 C ATOM 1087 CD2 LEU A 519 3.457 -1.310 -5.669 1.00 31.12 C ATOM 0 H LEU A 519 2.840 -4.818 -7.378 1.00 31.43 H new ATOM 0 HA LEU A 519 5.124 -3.362 -6.246 1.00 64.51 H new ATOM 0 HB2 LEU A 519 2.652 -4.533 -4.924 1.00 73.32 H new ATOM 0 HB3 LEU A 519 3.877 -3.562 -4.132 1.00 73.32 H new ATOM 0 HG LEU A 519 1.932 -2.638 -6.242 1.00 50.44 H new ATOM 0 HD11 LEU A 519 1.079 -1.264 -4.414 1.00 45.50 H new ATOM 0 HD12 LEU A 519 0.977 -3.001 -4.039 1.00 45.50 H new ATOM 0 HD13 LEU A 519 2.259 -2.007 -3.308 1.00 45.50 H new ATOM 0 HD21 LEU A 519 2.858 -0.423 -5.874 1.00 31.12 H new ATOM 0 HD22 LEU A 519 4.107 -1.119 -4.815 1.00 31.12 H new ATOM 0 HD23 LEU A 519 4.066 -1.547 -6.542 1.00 31.12 H new ATOM 1099 N VAL A 520 4.270 -6.477 -5.774 1.00 22.41 N ATOM 1100 CA VAL A 520 4.705 -7.743 -5.244 1.00 14.03 C ATOM 1101 C VAL A 520 5.931 -8.319 -5.980 1.00 62.43 C ATOM 1102 O VAL A 520 6.451 -9.378 -5.617 1.00 3.15 O ATOM 1103 CB VAL A 520 3.539 -8.741 -5.230 1.00 54.33 C ATOM 1104 CG1 VAL A 520 2.380 -8.190 -4.398 1.00 70.44 C ATOM 1105 CG2 VAL A 520 3.083 -9.091 -6.640 1.00 3.22 C ATOM 0 H VAL A 520 3.362 -6.512 -6.237 1.00 22.41 H new ATOM 0 HA VAL A 520 5.032 -7.566 -4.219 1.00 14.03 H new ATOM 0 HB VAL A 520 3.891 -9.663 -4.768 1.00 54.33 H new ATOM 0 HG11 VAL A 520 1.560 -8.908 -4.396 1.00 70.44 H new ATOM 0 HG12 VAL A 520 2.715 -8.020 -3.375 1.00 70.44 H new ATOM 0 HG13 VAL A 520 2.038 -7.249 -4.829 1.00 70.44 H new ATOM 0 HG21 VAL A 520 2.256 -9.800 -6.590 1.00 3.22 H new ATOM 0 HG22 VAL A 520 2.755 -8.186 -7.151 1.00 3.22 H new ATOM 0 HG23 VAL A 520 3.911 -9.538 -7.190 1.00 3.22 H new ATOM 1115 N GLY A 521 6.388 -7.611 -6.984 1.00 21.45 N ATOM 1116 CA GLY A 521 7.552 -8.003 -7.710 1.00 2.35 C ATOM 1117 C GLY A 521 8.702 -7.037 -7.487 1.00 63.13 C ATOM 1118 O GLY A 521 9.686 -7.082 -8.203 1.00 62.53 O ATOM 0 H GLY A 521 5.957 -6.748 -7.314 1.00 21.45 H new ATOM 0 HA2 GLY A 521 7.853 -9.005 -7.403 1.00 2.35 H new ATOM 0 HA3 GLY A 521 7.319 -8.052 -8.774 1.00 2.35 H new ATOM 1122 N LYS A 522 8.570 -6.151 -6.500 1.00 51.20 N ATOM 1123 CA LYS A 522 9.619 -5.176 -6.203 1.00 53.52 C ATOM 1124 C LYS A 522 9.691 -4.872 -4.721 1.00 43.30 C ATOM 1125 O LYS A 522 8.966 -5.471 -3.926 1.00 41.43 O ATOM 1126 CB LYS A 522 9.432 -3.892 -7.007 1.00 15.33 C ATOM 1127 CG LYS A 522 8.125 -3.150 -6.784 1.00 22.23 C ATOM 1128 CD LYS A 522 8.070 -1.821 -7.550 1.00 41.34 C ATOM 1129 CE LYS A 522 8.019 -1.981 -9.085 1.00 13.23 C ATOM 1130 NZ LYS A 522 9.250 -2.539 -9.704 1.00 34.50 N ATOM 0 H LYS A 522 7.751 -6.088 -5.895 1.00 51.20 H new ATOM 0 HA LYS A 522 10.567 -5.625 -6.501 1.00 53.52 H new ATOM 0 HB2 LYS A 522 10.255 -3.217 -6.772 1.00 15.33 H new ATOM 0 HB3 LYS A 522 9.512 -4.135 -8.066 1.00 15.33 H new ATOM 0 HG2 LYS A 522 7.294 -3.782 -7.097 1.00 22.23 H new ATOM 0 HG3 LYS A 522 7.996 -2.958 -5.719 1.00 22.23 H new ATOM 0 HD2 LYS A 522 7.193 -1.262 -7.224 1.00 41.34 H new ATOM 0 HD3 LYS A 522 8.944 -1.225 -7.286 1.00 41.34 H new ATOM 0 HE2 LYS A 522 7.179 -2.627 -9.339 1.00 13.23 H new ATOM 0 HE3 LYS A 522 7.818 -1.006 -9.529 1.00 13.23 H new ATOM 0 HZ1 LYS A 522 9.419 -2.075 -10.619 1.00 34.50 H new ATOM 0 HZ2 LYS A 522 10.061 -2.371 -9.075 1.00 34.50 H new ATOM 0 HZ3 LYS A 522 9.132 -3.562 -9.851 1.00 34.50 H new ATOM 1144 N SER A 523 10.576 -3.963 -4.351 1.00 21.35 N ATOM 1145 CA SER A 523 10.774 -3.605 -2.965 1.00 64.20 C ATOM 1146 C SER A 523 9.980 -2.362 -2.577 1.00 74.22 C ATOM 1147 O SER A 523 9.537 -1.583 -3.442 1.00 14.11 O ATOM 1148 CB SER A 523 12.263 -3.363 -2.685 1.00 14.32 C ATOM 1149 OG SER A 523 12.779 -2.339 -3.515 1.00 72.10 O ATOM 0 H SER A 523 11.174 -3.456 -5.004 1.00 21.35 H new ATOM 0 HA SER A 523 10.414 -4.440 -2.364 1.00 64.20 H new ATOM 0 HB2 SER A 523 12.400 -3.090 -1.639 1.00 14.32 H new ATOM 0 HB3 SER A 523 12.821 -4.285 -2.850 1.00 14.32 H new ATOM 0 HG SER A 523 12.883 -2.679 -4.428 1.00 72.10 H new ATOM 1155 N GLN A 524 9.833 -2.176 -1.273 1.00 5.21 N ATOM 1156 CA GLN A 524 9.187 -1.009 -0.680 1.00 13.44 C ATOM 1157 C GLN A 524 9.816 0.277 -1.141 1.00 0.24 C ATOM 1158 O GLN A 524 9.121 1.225 -1.468 1.00 72.35 O ATOM 1159 CB GLN A 524 9.298 -1.104 0.829 1.00 1.11 C ATOM 1160 CG GLN A 524 8.302 -2.011 1.459 1.00 44.45 C ATOM 1161 CD GLN A 524 6.982 -1.332 1.654 1.00 70.15 C ATOM 1162 OE1 GLN A 524 6.928 -0.132 1.836 1.00 75.25 O ATOM 1163 NE2 GLN A 524 5.927 -2.076 1.650 1.00 31.22 N ATOM 0 H GLN A 524 10.166 -2.846 -0.580 1.00 5.21 H new ATOM 0 HA GLN A 524 8.144 -1.001 -0.996 1.00 13.44 H new ATOM 0 HB2 GLN A 524 10.300 -1.448 1.087 1.00 1.11 H new ATOM 0 HB3 GLN A 524 9.184 -0.107 1.254 1.00 1.11 H new ATOM 0 HG2 GLN A 524 8.168 -2.895 0.835 1.00 44.45 H new ATOM 0 HG3 GLN A 524 8.680 -2.355 2.422 1.00 44.45 H new ATOM 0 HE21 GLN A 524 6.012 -3.080 1.494 1.00 31.22 H new ATOM 0 HE22 GLN A 524 5.009 -1.659 1.803 1.00 31.22 H new ATOM 1172 N GLU A 525 11.130 0.292 -1.207 1.00 44.35 N ATOM 1173 CA GLU A 525 11.870 1.496 -1.553 1.00 62.13 C ATOM 1174 C GLU A 525 11.555 1.980 -2.967 1.00 23.05 C ATOM 1175 O GLU A 525 11.542 3.188 -3.242 1.00 11.41 O ATOM 1176 CB GLU A 525 13.348 1.274 -1.345 1.00 54.41 C ATOM 1177 CG GLU A 525 13.711 1.060 0.114 1.00 73.34 C ATOM 1178 CD GLU A 525 15.166 0.715 0.320 1.00 24.52 C ATOM 1179 OE1 GLU A 525 16.043 1.605 0.167 1.00 12.34 O ATOM 1180 OE2 GLU A 525 15.461 -0.457 0.637 1.00 72.11 O ATOM 0 H GLU A 525 11.716 -0.522 -1.024 1.00 44.35 H new ATOM 0 HA GLU A 525 11.549 2.295 -0.885 1.00 62.13 H new ATOM 0 HB2 GLU A 525 13.666 0.407 -1.925 1.00 54.41 H new ATOM 0 HB3 GLU A 525 13.898 2.133 -1.729 1.00 54.41 H new ATOM 0 HG2 GLU A 525 13.475 1.963 0.677 1.00 73.34 H new ATOM 0 HG3 GLU A 525 13.093 0.260 0.522 1.00 73.34 H new ATOM 1187 N GLU A 526 11.267 1.046 -3.836 1.00 63.14 N ATOM 1188 CA GLU A 526 10.892 1.340 -5.202 1.00 65.42 C ATOM 1189 C GLU A 526 9.479 1.919 -5.257 1.00 21.23 C ATOM 1190 O GLU A 526 9.193 2.818 -6.055 1.00 74.45 O ATOM 1191 CB GLU A 526 10.978 0.064 -6.016 1.00 44.23 C ATOM 1192 CG GLU A 526 12.390 -0.501 -6.094 1.00 3.14 C ATOM 1193 CD GLU A 526 12.458 -1.836 -6.786 1.00 13.35 C ATOM 1194 OE1 GLU A 526 12.337 -2.865 -6.105 1.00 61.12 O ATOM 1195 OE2 GLU A 526 12.648 -1.877 -8.016 1.00 75.01 O ATOM 0 H GLU A 526 11.285 0.050 -3.617 1.00 63.14 H new ATOM 0 HA GLU A 526 11.572 2.084 -5.617 1.00 65.42 H new ATOM 0 HB2 GLU A 526 10.317 -0.684 -5.578 1.00 44.23 H new ATOM 0 HB3 GLU A 526 10.615 0.259 -7.025 1.00 44.23 H new ATOM 0 HG2 GLU A 526 13.029 0.207 -6.622 1.00 3.14 H new ATOM 0 HG3 GLU A 526 12.790 -0.601 -5.085 1.00 3.14 H new ATOM 1202 N VAL A 527 8.609 1.424 -4.389 1.00 60.24 N ATOM 1203 CA VAL A 527 7.226 1.884 -4.350 1.00 32.11 C ATOM 1204 C VAL A 527 7.168 3.258 -3.693 1.00 65.25 C ATOM 1205 O VAL A 527 6.461 4.154 -4.160 1.00 73.31 O ATOM 1206 CB VAL A 527 6.307 0.920 -3.536 1.00 71.30 C ATOM 1207 CG1 VAL A 527 4.842 1.288 -3.704 1.00 0.34 C ATOM 1208 CG2 VAL A 527 6.561 -0.545 -3.871 1.00 41.11 C ATOM 0 H VAL A 527 8.835 0.704 -3.702 1.00 60.24 H new ATOM 0 HA VAL A 527 6.868 1.919 -5.379 1.00 32.11 H new ATOM 0 HB VAL A 527 6.564 1.045 -2.484 1.00 71.30 H new ATOM 0 HG11 VAL A 527 4.225 0.600 -3.126 1.00 0.34 H new ATOM 0 HG12 VAL A 527 4.680 2.306 -3.350 1.00 0.34 H new ATOM 0 HG13 VAL A 527 4.569 1.223 -4.757 1.00 0.34 H new ATOM 0 HG21 VAL A 527 5.897 -1.174 -3.278 1.00 41.11 H new ATOM 0 HG22 VAL A 527 6.371 -0.714 -4.931 1.00 41.11 H new ATOM 0 HG23 VAL A 527 7.597 -0.796 -3.644 1.00 41.11 H new ATOM 1218 N VAL A 528 7.941 3.430 -2.620 1.00 10.14 N ATOM 1219 CA VAL A 528 7.902 4.686 -1.876 1.00 64.25 C ATOM 1220 C VAL A 528 8.343 5.848 -2.749 1.00 14.22 C ATOM 1221 O VAL A 528 7.704 6.880 -2.769 1.00 20.42 O ATOM 1222 CB VAL A 528 8.711 4.684 -0.523 1.00 1.14 C ATOM 1223 CG1 VAL A 528 8.299 3.559 0.395 1.00 23.51 C ATOM 1224 CG2 VAL A 528 10.213 4.709 -0.716 1.00 13.41 C ATOM 0 H VAL A 528 8.588 2.731 -2.254 1.00 10.14 H new ATOM 0 HA VAL A 528 6.857 4.807 -1.592 1.00 64.25 H new ATOM 0 HB VAL A 528 8.446 5.622 -0.036 1.00 1.14 H new ATOM 0 HG11 VAL A 528 8.887 3.604 1.312 1.00 23.51 H new ATOM 0 HG12 VAL A 528 7.241 3.656 0.637 1.00 23.51 H new ATOM 0 HG13 VAL A 528 8.472 2.603 -0.100 1.00 23.51 H new ATOM 0 HG21 VAL A 528 10.705 4.706 0.257 1.00 13.41 H new ATOM 0 HG22 VAL A 528 10.522 3.830 -1.281 1.00 13.41 H new ATOM 0 HG23 VAL A 528 10.495 5.609 -1.262 1.00 13.41 H new ATOM 1234 N SER A 529 9.401 5.644 -3.507 1.00 73.31 N ATOM 1235 CA SER A 529 9.944 6.683 -4.356 1.00 35.14 C ATOM 1236 C SER A 529 8.951 7.082 -5.453 1.00 24.33 C ATOM 1237 O SER A 529 8.821 8.270 -5.774 1.00 12.00 O ATOM 1238 CB SER A 529 11.295 6.258 -4.954 1.00 4.33 C ATOM 1239 OG SER A 529 11.870 7.295 -5.747 1.00 71.52 O ATOM 0 H SER A 529 9.906 4.759 -3.552 1.00 73.31 H new ATOM 0 HA SER A 529 10.117 7.562 -3.735 1.00 35.14 H new ATOM 0 HB2 SER A 529 11.981 5.992 -4.150 1.00 4.33 H new ATOM 0 HB3 SER A 529 11.158 5.366 -5.565 1.00 4.33 H new ATOM 0 HG SER A 529 12.728 6.991 -6.110 1.00 71.52 H new ATOM 1245 N LEU A 530 8.209 6.100 -5.991 1.00 13.42 N ATOM 1246 CA LEU A 530 7.256 6.395 -7.051 1.00 62.20 C ATOM 1247 C LEU A 530 6.122 7.238 -6.449 1.00 10.41 C ATOM 1248 O LEU A 530 5.628 8.184 -7.062 1.00 40.20 O ATOM 1249 CB LEU A 530 6.756 5.064 -7.757 1.00 73.53 C ATOM 1250 CG LEU A 530 5.636 4.208 -7.122 1.00 4.05 C ATOM 1251 CD1 LEU A 530 4.262 4.843 -7.322 1.00 22.02 C ATOM 1252 CD2 LEU A 530 5.663 2.805 -7.695 1.00 44.34 C ATOM 0 H LEU A 530 8.254 5.120 -5.712 1.00 13.42 H new ATOM 0 HA LEU A 530 7.725 6.974 -7.846 1.00 62.20 H new ATOM 0 HB2 LEU A 530 6.423 5.337 -8.758 1.00 73.53 H new ATOM 0 HB3 LEU A 530 7.626 4.418 -7.876 1.00 73.53 H new ATOM 0 HG LEU A 530 5.820 4.157 -6.049 1.00 4.05 H new ATOM 0 HD11 LEU A 530 3.500 4.213 -6.863 1.00 22.02 H new ATOM 0 HD12 LEU A 530 4.246 5.829 -6.858 1.00 22.02 H new ATOM 0 HD13 LEU A 530 4.058 4.940 -8.388 1.00 22.02 H new ATOM 0 HD21 LEU A 530 4.870 2.211 -7.241 1.00 44.34 H new ATOM 0 HD22 LEU A 530 5.511 2.849 -8.773 1.00 44.34 H new ATOM 0 HD23 LEU A 530 6.628 2.344 -7.484 1.00 44.34 H new ATOM 1264 N LEU A 531 5.766 6.897 -5.209 1.00 55.44 N ATOM 1265 CA LEU A 531 4.774 7.606 -4.438 1.00 25.03 C ATOM 1266 C LEU A 531 5.206 9.031 -4.170 1.00 50.30 C ATOM 1267 O LEU A 531 4.432 9.971 -4.366 1.00 54.44 O ATOM 1268 CB LEU A 531 4.485 6.827 -3.122 1.00 11.34 C ATOM 1269 CG LEU A 531 3.681 7.536 -2.020 1.00 1.24 C ATOM 1270 CD1 LEU A 531 2.985 6.511 -1.144 1.00 12.52 C ATOM 1271 CD2 LEU A 531 4.601 8.354 -1.113 1.00 11.53 C ATOM 0 H LEU A 531 6.174 6.104 -4.714 1.00 55.44 H new ATOM 0 HA LEU A 531 3.849 7.665 -5.012 1.00 25.03 H new ATOM 0 HB2 LEU A 531 3.953 5.913 -3.386 1.00 11.34 H new ATOM 0 HB3 LEU A 531 5.442 6.527 -2.695 1.00 11.34 H new ATOM 0 HG LEU A 531 2.959 8.188 -2.512 1.00 1.24 H new ATOM 0 HD11 LEU A 531 2.418 7.022 -0.366 1.00 12.52 H new ATOM 0 HD12 LEU A 531 2.308 5.912 -1.753 1.00 12.52 H new ATOM 0 HD13 LEU A 531 3.729 5.861 -0.683 1.00 12.52 H new ATOM 0 HD21 LEU A 531 4.008 8.846 -0.342 1.00 11.53 H new ATOM 0 HD22 LEU A 531 5.331 7.694 -0.644 1.00 11.53 H new ATOM 0 HD23 LEU A 531 5.121 9.106 -1.706 1.00 11.53 H new ATOM 1283 N ARG A 532 6.446 9.193 -3.753 1.00 61.00 N ATOM 1284 CA ARG A 532 6.959 10.499 -3.381 1.00 73.13 C ATOM 1285 C ARG A 532 6.919 11.458 -4.591 1.00 51.31 C ATOM 1286 O ARG A 532 6.691 12.656 -4.437 1.00 13.40 O ATOM 1287 CB ARG A 532 8.401 10.402 -2.842 1.00 22.21 C ATOM 1288 CG ARG A 532 8.610 9.446 -1.666 1.00 21.34 C ATOM 1289 CD ARG A 532 7.882 9.861 -0.403 1.00 60.05 C ATOM 1290 NE ARG A 532 8.390 11.122 0.149 1.00 45.21 N ATOM 1291 CZ ARG A 532 7.966 11.688 1.286 1.00 14.21 C ATOM 1292 NH1 ARG A 532 7.000 11.116 2.006 1.00 21.01 N ATOM 1293 NH2 ARG A 532 8.524 12.820 1.710 1.00 62.52 N ATOM 0 H ARG A 532 7.121 8.433 -3.663 1.00 61.00 H new ATOM 0 HA ARG A 532 6.321 10.891 -2.589 1.00 73.13 H new ATOM 0 HB2 ARG A 532 9.054 10.092 -3.658 1.00 22.21 H new ATOM 0 HB3 ARG A 532 8.723 11.398 -2.538 1.00 22.21 H new ATOM 0 HG2 ARG A 532 8.276 8.450 -1.956 1.00 21.34 H new ATOM 0 HG3 ARG A 532 9.677 9.375 -1.453 1.00 21.34 H new ATOM 0 HD2 ARG A 532 6.818 9.964 -0.618 1.00 60.05 H new ATOM 0 HD3 ARG A 532 7.981 9.074 0.345 1.00 60.05 H new ATOM 0 HE ARG A 532 9.122 11.604 -0.373 1.00 45.21 H new ATOM 0 HH11 ARG A 532 6.579 10.242 1.692 1.00 21.01 H new ATOM 0 HH12 ARG A 532 6.682 11.553 2.871 1.00 21.01 H new ATOM 0 HH21 ARG A 532 9.272 13.254 1.169 1.00 62.52 H new ATOM 0 HH22 ARG A 532 8.203 13.254 2.576 1.00 62.52 H new ATOM 1307 N SER A 533 7.128 10.912 -5.783 1.00 3.11 N ATOM 1308 CA SER A 533 7.115 11.704 -7.006 1.00 43.25 C ATOM 1309 C SER A 533 5.673 11.909 -7.506 1.00 74.12 C ATOM 1310 O SER A 533 5.348 12.938 -8.122 1.00 15.54 O ATOM 1311 CB SER A 533 7.959 11.003 -8.057 1.00 32.53 C ATOM 1312 OG SER A 533 9.262 10.747 -7.539 1.00 21.03 O ATOM 0 H SER A 533 7.309 9.919 -5.928 1.00 3.11 H new ATOM 0 HA SER A 533 7.535 12.690 -6.806 1.00 43.25 H new ATOM 0 HB2 SER A 533 7.485 10.067 -8.352 1.00 32.53 H new ATOM 0 HB3 SER A 533 8.029 11.621 -8.952 1.00 32.53 H new ATOM 0 HG SER A 533 9.232 9.963 -6.951 1.00 21.03 H new ATOM 1318 N THR A 534 4.828 10.926 -7.225 1.00 14.42 N ATOM 1319 CA THR A 534 3.415 10.926 -7.573 1.00 31.52 C ATOM 1320 C THR A 534 3.190 10.733 -9.085 1.00 13.23 C ATOM 1321 O THR A 534 2.991 9.599 -9.541 1.00 4.30 O ATOM 1322 CB THR A 534 2.672 12.198 -7.036 1.00 64.15 C ATOM 1323 OG1 THR A 534 2.927 12.325 -5.629 1.00 41.02 O ATOM 1324 CG2 THR A 534 1.158 12.097 -7.255 1.00 14.25 C ATOM 0 H THR A 534 5.117 10.081 -6.733 1.00 14.42 H new ATOM 0 HA THR A 534 2.974 10.065 -7.071 1.00 31.52 H new ATOM 0 HB THR A 534 3.042 13.067 -7.581 1.00 64.15 H new ATOM 0 HG1 THR A 534 3.321 11.494 -5.292 1.00 41.02 H new ATOM 0 HG21 THR A 534 0.674 12.995 -6.871 1.00 14.25 H new ATOM 0 HG22 THR A 534 0.950 12.000 -8.321 1.00 14.25 H new ATOM 0 HG23 THR A 534 0.772 11.224 -6.729 1.00 14.25 H new ATOM 1332 N LYS A 535 3.276 11.830 -9.843 1.00 55.21 N ATOM 1333 CA LYS A 535 3.020 11.869 -11.284 1.00 75.53 C ATOM 1334 C LYS A 535 2.918 13.344 -11.664 1.00 43.03 C ATOM 1335 O LYS A 535 2.626 14.164 -10.804 1.00 14.11 O ATOM 1336 CB LYS A 535 1.661 11.153 -11.603 1.00 45.34 C ATOM 1337 CG LYS A 535 1.268 11.061 -13.083 1.00 11.24 C ATOM 1338 CD LYS A 535 2.275 10.281 -13.932 1.00 34.45 C ATOM 1339 CE LYS A 535 2.410 8.837 -13.489 1.00 41.00 C ATOM 1340 NZ LYS A 535 3.360 8.088 -14.330 1.00 73.53 N ATOM 0 H LYS A 535 3.533 12.740 -9.460 1.00 55.21 H new ATOM 0 HA LYS A 535 3.811 11.365 -11.839 1.00 75.53 H new ATOM 0 HB2 LYS A 535 1.704 10.142 -11.198 1.00 45.34 H new ATOM 0 HB3 LYS A 535 0.866 11.676 -11.071 1.00 45.34 H new ATOM 0 HG2 LYS A 535 0.291 10.585 -13.163 1.00 11.24 H new ATOM 0 HG3 LYS A 535 1.166 12.068 -13.487 1.00 11.24 H new ATOM 0 HD2 LYS A 535 1.965 10.310 -14.977 1.00 34.45 H new ATOM 0 HD3 LYS A 535 3.248 10.768 -13.875 1.00 34.45 H new ATOM 0 HE2 LYS A 535 2.742 8.806 -12.451 1.00 41.00 H new ATOM 0 HE3 LYS A 535 1.434 8.354 -13.526 1.00 41.00 H new ATOM 0 HZ1 LYS A 535 3.422 7.106 -13.993 1.00 73.53 H new ATOM 0 HZ2 LYS A 535 3.031 8.095 -15.317 1.00 73.53 H new ATOM 0 HZ3 LYS A 535 4.298 8.533 -14.275 1.00 73.53 H new ATOM 1354 N MET A 536 3.139 13.680 -12.930 1.00 3.21 N ATOM 1355 CA MET A 536 3.015 15.078 -13.400 1.00 72.03 C ATOM 1356 C MET A 536 1.546 15.407 -13.705 1.00 42.23 C ATOM 1357 O MET A 536 1.214 16.476 -14.221 1.00 61.42 O ATOM 1358 CB MET A 536 3.896 15.353 -14.650 1.00 52.52 C ATOM 1359 CG MET A 536 3.524 14.564 -15.912 1.00 42.24 C ATOM 1360 SD MET A 536 3.716 12.778 -15.726 1.00 32.41 S ATOM 1361 CE MET A 536 3.200 12.216 -17.350 1.00 23.45 C ATOM 0 H MET A 536 3.405 13.015 -13.656 1.00 3.21 H new ATOM 0 HA MET A 536 3.372 15.725 -12.599 1.00 72.03 H new ATOM 0 HB2 MET A 536 3.845 16.417 -14.881 1.00 52.52 H new ATOM 0 HB3 MET A 536 4.933 15.131 -14.397 1.00 52.52 H new ATOM 0 HG2 MET A 536 2.490 14.785 -16.178 1.00 42.24 H new ATOM 0 HG3 MET A 536 4.146 14.904 -16.740 1.00 42.24 H new ATOM 0 HE1 MET A 536 3.262 11.129 -17.396 1.00 23.45 H new ATOM 0 HE2 MET A 536 2.172 12.528 -17.533 1.00 23.45 H new ATOM 0 HE3 MET A 536 3.852 12.649 -18.109 1.00 23.45 H new ATOM 1371 N GLU A 537 0.694 14.473 -13.376 1.00 72.22 N ATOM 1372 CA GLU A 537 -0.729 14.602 -13.547 1.00 14.11 C ATOM 1373 C GLU A 537 -1.324 15.047 -12.221 1.00 75.20 C ATOM 1374 O GLU A 537 -2.022 16.046 -12.140 1.00 23.44 O ATOM 1375 CB GLU A 537 -1.314 13.244 -13.960 1.00 43.22 C ATOM 1376 CG GLU A 537 -2.809 13.236 -14.223 1.00 13.20 C ATOM 1377 CD GLU A 537 -3.201 14.180 -15.324 1.00 42.33 C ATOM 1378 OE1 GLU A 537 -2.938 13.863 -16.505 1.00 15.34 O ATOM 1379 OE2 GLU A 537 -3.790 15.249 -15.026 1.00 10.42 O ATOM 0 H GLU A 537 0.977 13.580 -12.972 1.00 72.22 H new ATOM 0 HA GLU A 537 -0.961 15.333 -14.322 1.00 14.11 H new ATOM 0 HB2 GLU A 537 -0.801 12.904 -14.860 1.00 43.22 H new ATOM 0 HB3 GLU A 537 -1.096 12.519 -13.176 1.00 43.22 H new ATOM 0 HG2 GLU A 537 -3.124 12.226 -14.485 1.00 13.20 H new ATOM 0 HG3 GLU A 537 -3.338 13.508 -13.309 1.00 13.20 H new ATOM 1386 N GLY A 538 -1.030 14.293 -11.181 1.00 14.42 N ATOM 1387 CA GLY A 538 -1.502 14.647 -9.873 1.00 72.51 C ATOM 1388 C GLY A 538 -2.446 13.624 -9.303 1.00 1.22 C ATOM 1389 O GLY A 538 -2.655 13.573 -8.091 1.00 43.51 O ATOM 0 H GLY A 538 -0.471 13.441 -11.222 1.00 14.42 H new ATOM 0 HA2 GLY A 538 -0.650 14.764 -9.203 1.00 72.51 H new ATOM 0 HA3 GLY A 538 -2.005 15.613 -9.921 1.00 72.51 H new ATOM 1393 N THR A 539 -3.020 12.819 -10.158 1.00 14.01 N ATOM 1394 CA THR A 539 -3.931 11.800 -9.720 1.00 41.14 C ATOM 1395 C THR A 539 -3.226 10.437 -9.787 1.00 13.22 C ATOM 1396 O THR A 539 -2.506 10.140 -10.762 1.00 53.15 O ATOM 1397 CB THR A 539 -5.161 11.756 -10.623 1.00 44.41 C ATOM 1398 OG1 THR A 539 -5.568 13.099 -10.945 1.00 30.43 O ATOM 1399 CG2 THR A 539 -6.317 11.071 -9.908 1.00 72.30 C ATOM 0 H THR A 539 -2.870 12.852 -11.166 1.00 14.01 H new ATOM 0 HA THR A 539 -4.243 12.024 -8.700 1.00 41.14 H new ATOM 0 HB THR A 539 -4.906 11.204 -11.527 1.00 44.41 H new ATOM 0 HG1 THR A 539 -6.357 13.071 -11.526 1.00 30.43 H new ATOM 0 HG21 THR A 539 -7.187 11.047 -10.564 1.00 72.30 H new ATOM 0 HG22 THR A 539 -6.031 10.052 -9.647 1.00 72.30 H new ATOM 0 HG23 THR A 539 -6.562 11.623 -9.000 1.00 72.30 H new ATOM 1407 N VAL A 540 -3.404 9.646 -8.766 1.00 41.23 N ATOM 1408 CA VAL A 540 -2.819 8.325 -8.677 1.00 33.32 C ATOM 1409 C VAL A 540 -3.895 7.273 -8.467 1.00 73.33 C ATOM 1410 O VAL A 540 -4.815 7.471 -7.687 1.00 22.44 O ATOM 1411 CB VAL A 540 -1.796 8.245 -7.511 1.00 41.42 C ATOM 1412 CG1 VAL A 540 -1.216 6.862 -7.366 1.00 44.52 C ATOM 1413 CG2 VAL A 540 -0.690 9.255 -7.677 1.00 21.40 C ATOM 0 H VAL A 540 -3.968 9.900 -7.955 1.00 41.23 H new ATOM 0 HA VAL A 540 -2.303 8.133 -9.618 1.00 33.32 H new ATOM 0 HB VAL A 540 -2.345 8.479 -6.599 1.00 41.42 H new ATOM 0 HG11 VAL A 540 -0.506 6.850 -6.539 1.00 44.52 H new ATOM 0 HG12 VAL A 540 -2.017 6.151 -7.166 1.00 44.52 H new ATOM 0 HG13 VAL A 540 -0.705 6.583 -8.288 1.00 44.52 H new ATOM 0 HG21 VAL A 540 0.008 9.171 -6.844 1.00 21.40 H new ATOM 0 HG22 VAL A 540 -0.163 9.067 -8.612 1.00 21.40 H new ATOM 0 HG23 VAL A 540 -1.114 10.259 -7.696 1.00 21.40 H new ATOM 1423 N SER A 541 -3.773 6.179 -9.176 1.00 23.23 N ATOM 1424 CA SER A 541 -4.671 5.069 -9.045 1.00 23.33 C ATOM 1425 C SER A 541 -4.114 4.086 -8.020 1.00 52.14 C ATOM 1426 O SER A 541 -3.058 3.504 -8.218 1.00 60.24 O ATOM 1427 CB SER A 541 -4.831 4.393 -10.407 1.00 10.42 C ATOM 1428 OG SER A 541 -5.764 3.316 -10.379 1.00 22.53 O ATOM 0 H SER A 541 -3.037 6.037 -9.868 1.00 23.23 H new ATOM 0 HA SER A 541 -5.647 5.413 -8.703 1.00 23.33 H new ATOM 0 HB2 SER A 541 -5.157 5.132 -11.139 1.00 10.42 H new ATOM 0 HB3 SER A 541 -3.862 4.021 -10.740 1.00 10.42 H new ATOM 0 HG SER A 541 -5.832 2.919 -11.272 1.00 22.53 H new ATOM 1434 N LEU A 542 -4.801 3.936 -6.935 1.00 2.42 N ATOM 1435 CA LEU A 542 -4.404 3.032 -5.896 1.00 33.21 C ATOM 1436 C LEU A 542 -5.200 1.768 -6.035 1.00 33.13 C ATOM 1437 O LEU A 542 -6.414 1.799 -5.986 1.00 61.44 O ATOM 1438 CB LEU A 542 -4.690 3.638 -4.509 1.00 20.20 C ATOM 1439 CG LEU A 542 -4.107 5.025 -4.229 1.00 3.11 C ATOM 1440 CD1 LEU A 542 -4.352 5.431 -2.798 1.00 44.23 C ATOM 1441 CD2 LEU A 542 -2.640 5.076 -4.559 1.00 34.22 C ATOM 0 H LEU A 542 -5.665 4.442 -6.739 1.00 2.42 H new ATOM 0 HA LEU A 542 -3.335 2.837 -5.985 1.00 33.21 H new ATOM 0 HB2 LEU A 542 -5.771 3.691 -4.378 1.00 20.20 H new ATOM 0 HB3 LEU A 542 -4.310 2.951 -3.753 1.00 20.20 H new ATOM 0 HG LEU A 542 -4.618 5.738 -4.876 1.00 3.11 H new ATOM 0 HD11 LEU A 542 -3.929 6.420 -2.623 1.00 44.23 H new ATOM 0 HD12 LEU A 542 -5.425 5.456 -2.605 1.00 44.23 H new ATOM 0 HD13 LEU A 542 -3.880 4.711 -2.130 1.00 44.23 H new ATOM 0 HD21 LEU A 542 -2.254 6.074 -4.350 1.00 34.22 H new ATOM 0 HD22 LEU A 542 -2.105 4.346 -3.952 1.00 34.22 H new ATOM 0 HD23 LEU A 542 -2.496 4.846 -5.615 1.00 34.22 H new ATOM 1453 N LEU A 543 -4.536 0.679 -6.234 1.00 60.14 N ATOM 1454 CA LEU A 543 -5.198 -0.585 -6.314 1.00 72.44 C ATOM 1455 C LEU A 543 -4.936 -1.290 -5.025 1.00 71.33 C ATOM 1456 O LEU A 543 -3.782 -1.591 -4.692 1.00 13.53 O ATOM 1457 CB LEU A 543 -4.642 -1.414 -7.469 1.00 73.14 C ATOM 1458 CG LEU A 543 -5.307 -2.772 -7.740 1.00 62.34 C ATOM 1459 CD1 LEU A 543 -6.729 -2.599 -8.232 1.00 72.40 C ATOM 1460 CD2 LEU A 543 -4.490 -3.585 -8.725 1.00 2.32 C ATOM 0 H LEU A 543 -3.523 0.637 -6.346 1.00 60.14 H new ATOM 0 HA LEU A 543 -6.265 -0.446 -6.488 1.00 72.44 H new ATOM 0 HB2 LEU A 543 -4.711 -0.816 -8.378 1.00 73.14 H new ATOM 0 HB3 LEU A 543 -3.582 -1.588 -7.281 1.00 73.14 H new ATOM 0 HG LEU A 543 -5.346 -3.318 -6.797 1.00 62.34 H new ATOM 0 HD11 LEU A 543 -7.172 -3.578 -8.415 1.00 72.40 H new ATOM 0 HD12 LEU A 543 -7.313 -2.071 -7.478 1.00 72.40 H new ATOM 0 HD13 LEU A 543 -6.726 -2.023 -9.158 1.00 72.40 H new ATOM 0 HD21 LEU A 543 -4.980 -4.542 -8.901 1.00 2.32 H new ATOM 0 HD22 LEU A 543 -4.407 -3.041 -9.666 1.00 2.32 H new ATOM 0 HD23 LEU A 543 -3.494 -3.757 -8.317 1.00 2.32 H new ATOM 1472 N VAL A 544 -5.967 -1.544 -4.305 1.00 63.14 N ATOM 1473 CA VAL A 544 -5.844 -2.162 -3.013 1.00 64.33 C ATOM 1474 C VAL A 544 -6.629 -3.436 -2.926 1.00 25.31 C ATOM 1475 O VAL A 544 -7.559 -3.644 -3.687 1.00 42.31 O ATOM 1476 CB VAL A 544 -6.258 -1.208 -1.867 1.00 35.31 C ATOM 1477 CG1 VAL A 544 -5.297 -0.032 -1.787 1.00 61.04 C ATOM 1478 CG2 VAL A 544 -7.692 -0.712 -2.056 1.00 5.03 C ATOM 0 H VAL A 544 -6.925 -1.334 -4.584 1.00 63.14 H new ATOM 0 HA VAL A 544 -4.787 -2.399 -2.892 1.00 64.33 H new ATOM 0 HB VAL A 544 -6.214 -1.763 -0.930 1.00 35.31 H new ATOM 0 HG11 VAL A 544 -5.600 0.631 -0.977 1.00 61.04 H new ATOM 0 HG12 VAL A 544 -4.288 -0.399 -1.598 1.00 61.04 H new ATOM 0 HG13 VAL A 544 -5.313 0.516 -2.729 1.00 61.04 H new ATOM 0 HG21 VAL A 544 -7.957 -0.044 -1.237 1.00 5.03 H new ATOM 0 HG22 VAL A 544 -7.770 -0.175 -3.002 1.00 5.03 H new ATOM 0 HG23 VAL A 544 -8.373 -1.563 -2.065 1.00 5.03 H new ATOM 1488 N PHE A 545 -6.247 -4.278 -2.006 1.00 3.35 N ATOM 1489 CA PHE A 545 -6.916 -5.529 -1.782 1.00 34.01 C ATOM 1490 C PHE A 545 -7.561 -5.523 -0.423 1.00 73.41 C ATOM 1491 O PHE A 545 -6.875 -5.420 0.609 1.00 33.04 O ATOM 1492 CB PHE A 545 -5.946 -6.714 -1.921 1.00 63.43 C ATOM 1493 CG PHE A 545 -6.554 -8.050 -1.570 1.00 51.30 C ATOM 1494 CD1 PHE A 545 -7.508 -8.632 -2.384 1.00 11.24 C ATOM 1495 CD2 PHE A 545 -6.176 -8.713 -0.409 1.00 21.32 C ATOM 1496 CE1 PHE A 545 -8.074 -9.848 -2.049 1.00 20.04 C ATOM 1497 CE2 PHE A 545 -6.737 -9.928 -0.072 1.00 21.24 C ATOM 1498 CZ PHE A 545 -7.687 -10.497 -0.895 1.00 60.11 C ATOM 0 H PHE A 545 -5.455 -4.113 -1.385 1.00 3.35 H new ATOM 0 HA PHE A 545 -7.688 -5.650 -2.542 1.00 34.01 H new ATOM 0 HB2 PHE A 545 -5.579 -6.752 -2.947 1.00 63.43 H new ATOM 0 HB3 PHE A 545 -5.082 -6.540 -1.280 1.00 63.43 H new ATOM 0 HD1 PHE A 545 -7.814 -8.132 -3.291 1.00 11.24 H new ATOM 0 HD2 PHE A 545 -5.433 -8.271 0.239 1.00 21.32 H new ATOM 0 HE1 PHE A 545 -8.820 -10.291 -2.692 1.00 20.04 H new ATOM 0 HE2 PHE A 545 -6.433 -10.432 0.834 1.00 21.24 H new ATOM 0 HZ PHE A 545 -8.127 -11.449 -0.636 1.00 60.11 H new ATOM 1508 N ARG A 546 -8.860 -5.615 -0.414 1.00 43.41 N ATOM 1509 CA ARG A 546 -9.604 -5.633 0.824 1.00 44.31 C ATOM 1510 C ARG A 546 -10.378 -6.919 0.925 1.00 64.43 C ATOM 1511 O ARG A 546 -11.002 -7.355 -0.054 1.00 1.41 O ATOM 1512 CB ARG A 546 -10.540 -4.440 0.924 1.00 3.11 C ATOM 1513 CG ARG A 546 -9.834 -3.105 0.841 1.00 70.54 C ATOM 1514 CD ARG A 546 -10.781 -1.942 1.052 1.00 21.15 C ATOM 1515 NE ARG A 546 -11.873 -1.888 0.073 1.00 71.01 N ATOM 1516 CZ ARG A 546 -12.424 -0.751 -0.379 1.00 50.35 C ATOM 1517 NH1 ARG A 546 -11.960 0.425 0.030 1.00 51.13 N ATOM 1518 NH2 ARG A 546 -13.433 -0.799 -1.236 1.00 62.41 N ATOM 0 H ARG A 546 -9.434 -5.679 -1.254 1.00 43.41 H new ATOM 0 HA ARG A 546 -8.899 -5.567 1.653 1.00 44.31 H new ATOM 0 HB2 ARG A 546 -11.279 -4.501 0.125 1.00 3.11 H new ATOM 0 HB3 ARG A 546 -11.085 -4.495 1.866 1.00 3.11 H new ATOM 0 HG2 ARG A 546 -9.043 -3.067 1.590 1.00 70.54 H new ATOM 0 HG3 ARG A 546 -9.355 -3.009 -0.134 1.00 70.54 H new ATOM 0 HD2 ARG A 546 -11.205 -2.007 2.054 1.00 21.15 H new ATOM 0 HD3 ARG A 546 -10.216 -1.011 1.005 1.00 21.15 H new ATOM 0 HE ARG A 546 -12.236 -2.771 -0.287 1.00 71.01 H new ATOM 0 HH11 ARG A 546 -11.183 0.465 0.689 1.00 51.13 H new ATOM 0 HH12 ARG A 546 -12.381 1.287 -0.315 1.00 51.13 H new ATOM 0 HH21 ARG A 546 -13.791 -1.700 -1.552 1.00 62.41 H new ATOM 0 HH22 ARG A 546 -13.852 0.065 -1.580 1.00 62.41 H new ATOM 1532 N GLN A 547 -10.340 -7.521 2.086 1.00 64.22 N ATOM 1533 CA GLN A 547 -10.973 -8.801 2.312 1.00 51.11 C ATOM 1534 C GLN A 547 -12.384 -8.639 2.858 1.00 21.41 C ATOM 1535 O GLN A 547 -12.627 -7.857 3.791 1.00 4.24 O ATOM 1536 CB GLN A 547 -10.131 -9.659 3.264 1.00 21.12 C ATOM 1537 CG GLN A 547 -10.756 -11.010 3.591 1.00 73.12 C ATOM 1538 CD GLN A 547 -9.920 -11.843 4.530 1.00 40.42 C ATOM 1539 OE1 GLN A 547 -9.181 -11.316 5.365 1.00 61.42 O ATOM 1540 NE2 GLN A 547 -10.055 -13.134 4.430 1.00 32.40 N ATOM 0 H GLN A 547 -9.868 -7.139 2.906 1.00 64.22 H new ATOM 0 HA GLN A 547 -11.043 -9.307 1.349 1.00 51.11 H new ATOM 0 HB2 GLN A 547 -9.149 -9.822 2.819 1.00 21.12 H new ATOM 0 HB3 GLN A 547 -9.974 -9.108 4.191 1.00 21.12 H new ATOM 0 HG2 GLN A 547 -11.738 -10.850 4.035 1.00 73.12 H new ATOM 0 HG3 GLN A 547 -10.911 -11.564 2.665 1.00 73.12 H new ATOM 0 HE21 GLN A 547 -10.677 -13.529 3.725 1.00 32.40 H new ATOM 0 HE22 GLN A 547 -9.538 -13.751 5.057 1.00 32.40 H new ATOM 1549 N GLU A 548 -13.294 -9.368 2.281 1.00 74.15 N ATOM 1550 CA GLU A 548 -14.664 -9.384 2.704 1.00 64.30 C ATOM 1551 C GLU A 548 -14.901 -10.634 3.503 1.00 54.02 C ATOM 1552 O GLU A 548 -14.482 -11.724 3.103 1.00 22.33 O ATOM 1553 CB GLU A 548 -15.599 -9.346 1.507 1.00 71.31 C ATOM 1554 CG GLU A 548 -15.525 -8.062 0.713 1.00 52.54 C ATOM 1555 CD GLU A 548 -16.413 -8.091 -0.490 1.00 23.14 C ATOM 1556 OE1 GLU A 548 -17.649 -8.042 -0.335 1.00 24.10 O ATOM 1557 OE2 GLU A 548 -15.889 -8.183 -1.612 1.00 61.32 O ATOM 0 H GLU A 548 -13.101 -9.980 1.488 1.00 74.15 H new ATOM 0 HA GLU A 548 -14.866 -8.503 3.314 1.00 64.30 H new ATOM 0 HB2 GLU A 548 -15.365 -10.183 0.849 1.00 71.31 H new ATOM 0 HB3 GLU A 548 -16.623 -9.489 1.853 1.00 71.31 H new ATOM 0 HG2 GLU A 548 -15.808 -7.225 1.351 1.00 52.54 H new ATOM 0 HG3 GLU A 548 -14.496 -7.890 0.399 1.00 52.54 H new ATOM 1564 N ASP A 549 -15.532 -10.484 4.620 1.00 50.44 N ATOM 1565 CA ASP A 549 -15.776 -11.599 5.487 1.00 13.12 C ATOM 1566 C ASP A 549 -17.178 -12.083 5.276 1.00 73.30 C ATOM 1567 O ASP A 549 -17.388 -12.965 4.432 1.00 38.38 O ATOM 1568 CB ASP A 549 -15.561 -11.211 6.957 1.00 13.14 C ATOM 1569 CG ASP A 549 -14.174 -10.675 7.236 1.00 14.31 C ATOM 1570 OD1 ASP A 549 -13.246 -11.476 7.457 1.00 43.32 O ATOM 1571 OD2 ASP A 549 -13.987 -9.440 7.252 1.00 63.14 O ATOM 1572 OXT ASP A 549 -18.102 -11.556 5.931 1.00 38.38 O ATOM 0 H ASP A 549 -15.893 -9.593 4.960 1.00 50.44 H new ATOM 0 HA ASP A 549 -15.071 -12.396 5.249 1.00 13.12 H new ATOM 0 HB2 ASP A 549 -16.298 -10.459 7.239 1.00 13.14 H new ATOM 0 HB3 ASP A 549 -15.740 -12.083 7.586 1.00 13.14 H new TER 1577 ASP A 549