USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=23 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 481 THR OG1 : rot -101:sc= 1.18 USER MOD Set 1.2: A 489 TYR OH : rot -178:sc= 1.34 USER MOD Set 2.1: A 465 LYS NZ :NH3+ 131:sc= 1.11 (180deg=0.969) USER MOD Set 2.2: A 539 THR OG1 : rot 180:sc= 0.419 USER MOD Set 3.1: A 463 GLN : amide:sc= 0.7 K(o=0.33,f=-1.5) USER MOD Set 3.2: A 541 SER OG : rot 158:sc= -0.367 USER MOD Single : A 450 SER OG : rot 180:sc= 0.0058 USER MOD Single : A 451 TYR OH : rot 180:sc= 0 USER MOD Single : A 452 ASN : amide:sc= -0.171 X(o=-0.17,f=-0.41) 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+ 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= -0.023 X(o=-0.023,f=-0.023) USER MOD Single : A 466 LYS NZ :NH3+ 169:sc=-0.00732 (180deg=-0.13) USER MOD Single : A 468 THR OG1 : rot 180:sc= 0 USER MOD Single : A 474 SER OG : rot 180:sc= -0.861 USER MOD Single : A 476 THR OG1 : rot 180:sc= 0 USER MOD Single : A 477 SER OG : rot 180:sc= -0.132 USER MOD Single : A 485 SER OG : rot 83:sc= 0.162 USER MOD Single : A 491 LYS NZ :NH3+ 160:sc= -0.0674 (180deg=-0.452) USER MOD Single : A 492 ASN : amide:sc= -0.178 K(o=-0.18,f=-2.9!) USER MOD Single : A 501 GLN : amide:sc= -0.198 K(o=-0.2,f=-0.93) USER MOD Single : A 506 LYS NZ :NH3+ 173:sc= 1.27 (180deg=1.16) USER MOD Single : A 515 ASN : amide:sc= -0.684 K(o=-0.68,f=-6.6!) USER MOD Single : A 522 LYS NZ :NH3+ -142:sc= -0.412 (180deg=-2.92!) USER MOD Single : A 523 SER OG : rot 180:sc= 0 USER MOD Single : A 524 GLN : amide:sc= -2.83 K(o=-2.8,f=-5.6!) USER MOD Single : A 529 SER OG : rot 180:sc= 0 USER MOD Single : A 533 SER OG : rot 68:sc= 1.28 USER MOD Single : A 534 THR OG1 : rot 180:sc= 0 USER MOD Single : A 535 LYS NZ :NH3+ 148:sc= 1.31 (180deg=1.09) USER MOD Single : A 536 MET CE :methyl 157:sc= -0.217 (180deg=-0.862) USER MOD Single : A 547 GLN : amide:sc= 0.0223 K(o=0.022,f=-2.7) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 449 -23.351 -17.458 -17.815 1.00 3.23 N ATOM 2 CA GLY A 449 -24.045 -16.283 -17.287 1.00 1.33 C ATOM 3 C GLY A 449 -23.082 -15.309 -16.650 1.00 13.03 C ATOM 4 O GLY A 449 -22.601 -14.383 -17.304 1.00 20.33 O ATOM 0 HA2 GLY A 449 -24.586 -15.787 -18.093 1.00 1.33 H new ATOM 0 HA3 GLY A 449 -24.786 -16.597 -16.552 1.00 1.33 H new ATOM 8 N SER A 450 -22.794 -15.516 -15.387 1.00 33.10 N ATOM 9 CA SER A 450 -21.891 -14.670 -14.659 1.00 12.50 C ATOM 10 C SER A 450 -20.446 -14.977 -15.043 1.00 73.51 C ATOM 11 O SER A 450 -20.106 -16.130 -15.345 1.00 53.35 O ATOM 12 CB SER A 450 -22.124 -14.864 -13.159 1.00 73.31 C ATOM 13 OG SER A 450 -22.054 -16.242 -12.807 1.00 12.12 O ATOM 0 H SER A 450 -23.184 -16.281 -14.837 1.00 33.10 H new ATOM 0 HA SER A 450 -22.079 -13.626 -14.911 1.00 12.50 H new ATOM 0 HB2 SER A 450 -21.379 -14.303 -12.596 1.00 73.31 H new ATOM 0 HB3 SER A 450 -23.100 -14.464 -12.884 1.00 73.31 H new ATOM 0 HG SER A 450 -22.204 -16.342 -11.844 1.00 12.12 H new ATOM 19 N TYR A 451 -19.606 -13.963 -15.044 1.00 55.44 N ATOM 20 CA TYR A 451 -18.215 -14.153 -15.402 1.00 71.23 C ATOM 21 C TYR A 451 -17.447 -14.724 -14.217 1.00 22.41 C ATOM 22 O TYR A 451 -17.023 -15.881 -14.241 1.00 13.43 O ATOM 23 CB TYR A 451 -17.570 -12.841 -15.868 1.00 30.15 C ATOM 24 CG TYR A 451 -18.250 -12.178 -17.053 1.00 51.33 C ATOM 25 CD1 TYR A 451 -18.064 -12.651 -18.345 1.00 35.13 C ATOM 26 CD2 TYR A 451 -19.055 -11.062 -16.875 1.00 52.05 C ATOM 27 CE1 TYR A 451 -18.664 -12.032 -19.425 1.00 14.32 C ATOM 28 CE2 TYR A 451 -19.661 -10.439 -17.948 1.00 35.51 C ATOM 29 CZ TYR A 451 -19.463 -10.926 -19.220 1.00 11.10 C ATOM 30 OH TYR A 451 -20.057 -10.291 -20.297 1.00 3.53 O ATOM 0 H TYR A 451 -19.859 -13.005 -14.803 1.00 55.44 H new ATOM 0 HA TYR A 451 -18.174 -14.857 -16.233 1.00 71.23 H new ATOM 0 HB2 TYR A 451 -17.563 -12.140 -15.033 1.00 30.15 H new ATOM 0 HB3 TYR A 451 -16.530 -13.037 -16.128 1.00 30.15 H new ATOM 0 HD1 TYR A 451 -17.440 -13.517 -18.509 1.00 35.13 H new ATOM 0 HD2 TYR A 451 -19.210 -10.674 -15.879 1.00 52.05 H new ATOM 0 HE1 TYR A 451 -18.508 -12.412 -20.424 1.00 14.32 H new ATOM 0 HE2 TYR A 451 -20.287 -9.574 -17.790 1.00 35.51 H new ATOM 0 HH TYR A 451 -20.587 -9.531 -19.977 1.00 3.53 H new ATOM 40 N ASN A 452 -17.308 -13.932 -13.177 1.00 12.24 N ATOM 41 CA ASN A 452 -16.591 -14.340 -11.977 1.00 22.05 C ATOM 42 C ASN A 452 -17.194 -13.656 -10.759 1.00 24.31 C ATOM 43 O ASN A 452 -16.986 -12.464 -10.535 1.00 34.30 O ATOM 44 CB ASN A 452 -15.092 -14.014 -12.106 1.00 14.43 C ATOM 45 CG ASN A 452 -14.279 -14.372 -10.870 1.00 32.02 C ATOM 46 OD1 ASN A 452 -14.620 -15.284 -10.120 1.00 34.43 O ATOM 47 ND2 ASN A 452 -13.190 -13.678 -10.670 1.00 41.54 N ATOM 0 H ASN A 452 -17.687 -12.986 -13.134 1.00 12.24 H new ATOM 0 HA ASN A 452 -16.688 -15.419 -11.854 1.00 22.05 H new ATOM 0 HB2 ASN A 452 -14.686 -14.549 -12.965 1.00 14.43 H new ATOM 0 HB3 ASN A 452 -14.977 -12.949 -12.310 1.00 14.43 H new ATOM 0 HD21 ASN A 452 -12.592 -13.887 -9.870 1.00 41.54 H new ATOM 0 HD22 ASN A 452 -12.938 -12.928 -11.313 1.00 41.54 H new ATOM 54 N THR A 453 -17.965 -14.394 -10.001 1.00 34.55 N ATOM 55 CA THR A 453 -18.657 -13.857 -8.853 1.00 23.43 C ATOM 56 C THR A 453 -18.242 -14.556 -7.559 1.00 20.13 C ATOM 57 O THR A 453 -17.767 -15.706 -7.586 1.00 14.43 O ATOM 58 CB THR A 453 -20.185 -13.981 -9.047 1.00 40.13 C ATOM 59 OG1 THR A 453 -20.520 -15.338 -9.413 1.00 73.52 O ATOM 60 CG2 THR A 453 -20.681 -13.023 -10.121 1.00 25.14 C ATOM 0 H THR A 453 -18.132 -15.387 -10.162 1.00 34.55 H new ATOM 0 HA THR A 453 -18.382 -12.806 -8.768 1.00 23.43 H new ATOM 0 HB THR A 453 -20.672 -13.722 -8.107 1.00 40.13 H new ATOM 0 HG1 THR A 453 -21.490 -15.414 -9.534 1.00 73.52 H new ATOM 0 HG21 THR A 453 -21.759 -13.132 -10.236 1.00 25.14 H new ATOM 0 HG22 THR A 453 -20.449 -11.999 -9.830 1.00 25.14 H new ATOM 0 HG23 THR A 453 -20.190 -13.251 -11.067 1.00 25.14 H new ATOM 68 N LYS A 454 -18.416 -13.844 -6.433 1.00 71.23 N ATOM 69 CA LYS A 454 -18.129 -14.353 -5.077 1.00 72.13 C ATOM 70 C LYS A 454 -16.653 -14.696 -4.901 1.00 11.55 C ATOM 71 O LYS A 454 -16.303 -15.612 -4.148 1.00 12.22 O ATOM 72 CB LYS A 454 -18.988 -15.583 -4.732 1.00 34.54 C ATOM 73 CG LYS A 454 -20.495 -15.373 -4.804 1.00 4.11 C ATOM 74 CD LYS A 454 -21.244 -16.581 -4.233 1.00 31.44 C ATOM 75 CE LYS A 454 -20.879 -17.879 -4.943 1.00 61.44 C ATOM 76 NZ LYS A 454 -21.533 -19.042 -4.319 1.00 41.33 N ATOM 0 H LYS A 454 -18.765 -12.885 -6.437 1.00 71.23 H new ATOM 0 HA LYS A 454 -18.384 -13.547 -4.390 1.00 72.13 H new ATOM 0 HB2 LYS A 454 -18.719 -16.393 -5.409 1.00 34.54 H new ATOM 0 HB3 LYS A 454 -18.732 -15.912 -3.725 1.00 34.54 H new ATOM 0 HG2 LYS A 454 -20.768 -14.475 -4.249 1.00 4.11 H new ATOM 0 HG3 LYS A 454 -20.794 -15.211 -5.839 1.00 4.11 H new ATOM 0 HD2 LYS A 454 -21.019 -16.675 -3.171 1.00 31.44 H new ATOM 0 HD3 LYS A 454 -22.318 -16.413 -4.318 1.00 31.44 H new ATOM 0 HE2 LYS A 454 -21.172 -17.816 -5.991 1.00 61.44 H new ATOM 0 HE3 LYS A 454 -19.798 -18.014 -4.922 1.00 61.44 H new ATOM 0 HZ1 LYS A 454 -21.262 -19.907 -4.828 1.00 41.33 H new ATOM 0 HZ2 LYS A 454 -21.234 -19.117 -3.326 1.00 41.33 H new ATOM 0 HZ3 LYS A 454 -22.565 -18.924 -4.362 1.00 41.33 H new ATOM 90 N LYS A 455 -15.795 -13.928 -5.534 1.00 55.53 N ATOM 91 CA LYS A 455 -14.368 -14.167 -5.438 1.00 44.14 C ATOM 92 C LYS A 455 -13.862 -13.691 -4.075 1.00 15.12 C ATOM 93 O LYS A 455 -14.352 -12.692 -3.534 1.00 61.34 O ATOM 94 CB LYS A 455 -13.620 -13.496 -6.606 1.00 11.22 C ATOM 95 CG LYS A 455 -13.831 -12.003 -6.705 1.00 14.32 C ATOM 96 CD LYS A 455 -13.145 -11.411 -7.913 1.00 23.21 C ATOM 97 CE LYS A 455 -13.417 -9.928 -7.985 1.00 42.13 C ATOM 98 NZ LYS A 455 -12.835 -9.302 -9.185 1.00 61.13 N ATOM 0 H LYS A 455 -16.057 -13.135 -6.119 1.00 55.53 H new ATOM 0 HA LYS A 455 -14.171 -15.236 -5.516 1.00 44.14 H new ATOM 0 HB2 LYS A 455 -12.553 -13.694 -6.500 1.00 11.22 H new ATOM 0 HB3 LYS A 455 -13.939 -13.959 -7.540 1.00 11.22 H new ATOM 0 HG2 LYS A 455 -14.899 -11.791 -6.755 1.00 14.32 H new ATOM 0 HG3 LYS A 455 -13.453 -11.523 -5.802 1.00 14.32 H new ATOM 0 HD2 LYS A 455 -12.071 -11.590 -7.856 1.00 23.21 H new ATOM 0 HD3 LYS A 455 -13.502 -11.899 -8.820 1.00 23.21 H new ATOM 0 HE2 LYS A 455 -14.494 -9.759 -7.978 1.00 42.13 H new ATOM 0 HE3 LYS A 455 -13.013 -9.445 -7.096 1.00 42.13 H new ATOM 0 HZ1 LYS A 455 -13.051 -8.285 -9.185 1.00 61.13 H new ATOM 0 HZ2 LYS A 455 -11.804 -9.437 -9.182 1.00 61.13 H new ATOM 0 HZ3 LYS A 455 -13.239 -9.742 -10.037 1.00 61.13 H new ATOM 112 N ILE A 456 -12.903 -14.396 -3.521 1.00 34.10 N ATOM 113 CA ILE A 456 -12.436 -14.105 -2.174 1.00 23.42 C ATOM 114 C ILE A 456 -11.460 -12.946 -2.144 1.00 41.31 C ATOM 115 O ILE A 456 -11.223 -12.360 -1.097 1.00 4.12 O ATOM 116 CB ILE A 456 -11.823 -15.349 -1.471 1.00 60.14 C ATOM 117 CG1 ILE A 456 -10.653 -15.928 -2.291 1.00 25.21 C ATOM 118 CG2 ILE A 456 -12.902 -16.403 -1.228 1.00 13.32 C ATOM 119 CD1 ILE A 456 -9.981 -17.134 -1.663 1.00 24.13 C ATOM 0 H ILE A 456 -12.428 -15.175 -3.977 1.00 34.10 H new ATOM 0 HA ILE A 456 -13.324 -13.814 -1.612 1.00 23.42 H new ATOM 0 HB ILE A 456 -11.423 -15.038 -0.506 1.00 60.14 H new ATOM 0 HG12 ILE A 456 -11.021 -16.206 -3.279 1.00 25.21 H new ATOM 0 HG13 ILE A 456 -9.907 -15.147 -2.437 1.00 25.21 H new ATOM 0 HG21 ILE A 456 -12.460 -17.269 -0.735 1.00 13.32 H new ATOM 0 HG22 ILE A 456 -13.683 -15.984 -0.594 1.00 13.32 H new ATOM 0 HG23 ILE A 456 -13.333 -16.709 -2.181 1.00 13.32 H new ATOM 0 HD11 ILE A 456 -9.170 -17.475 -2.307 1.00 24.13 H new ATOM 0 HD12 ILE A 456 -9.579 -16.860 -0.688 1.00 24.13 H new ATOM 0 HD13 ILE A 456 -10.710 -17.935 -1.543 1.00 24.13 H new ATOM 131 N GLY A 457 -10.914 -12.612 -3.285 1.00 14.34 N ATOM 132 CA GLY A 457 -9.987 -11.535 -3.348 1.00 51.25 C ATOM 133 C GLY A 457 -10.277 -10.604 -4.492 1.00 23.31 C ATOM 134 O GLY A 457 -10.086 -10.963 -5.663 1.00 2.42 O ATOM 0 H GLY A 457 -11.101 -13.074 -4.175 1.00 14.34 H new ATOM 0 HA2 GLY A 457 -10.016 -10.978 -2.412 1.00 51.25 H new ATOM 0 HA3 GLY A 457 -8.977 -11.932 -3.452 1.00 51.25 H new ATOM 138 N LYS A 458 -10.742 -9.424 -4.175 1.00 73.31 N ATOM 139 CA LYS A 458 -11.031 -8.445 -5.173 1.00 50.21 C ATOM 140 C LYS A 458 -10.082 -7.278 -5.028 1.00 62.33 C ATOM 141 O LYS A 458 -9.562 -7.012 -3.931 1.00 51.34 O ATOM 142 CB LYS A 458 -12.476 -7.943 -5.083 1.00 51.44 C ATOM 143 CG LYS A 458 -12.816 -7.210 -3.791 1.00 72.40 C ATOM 144 CD LYS A 458 -14.202 -6.576 -3.851 1.00 41.32 C ATOM 145 CE LYS A 458 -14.294 -5.539 -4.974 1.00 74.30 C ATOM 146 NZ LYS A 458 -15.618 -4.861 -5.018 1.00 31.24 N ATOM 0 H LYS A 458 -10.928 -9.121 -3.219 1.00 73.31 H new ATOM 0 HA LYS A 458 -10.903 -8.917 -6.147 1.00 50.21 H new ATOM 0 HB2 LYS A 458 -12.668 -7.277 -5.924 1.00 51.44 H new ATOM 0 HB3 LYS A 458 -13.149 -8.794 -5.190 1.00 51.44 H new ATOM 0 HG2 LYS A 458 -12.770 -7.907 -2.954 1.00 72.40 H new ATOM 0 HG3 LYS A 458 -12.070 -6.438 -3.604 1.00 72.40 H new ATOM 0 HD2 LYS A 458 -14.952 -7.351 -4.007 1.00 41.32 H new ATOM 0 HD3 LYS A 458 -14.428 -6.102 -2.896 1.00 41.32 H new ATOM 0 HE2 LYS A 458 -13.512 -4.792 -4.839 1.00 74.30 H new ATOM 0 HE3 LYS A 458 -14.108 -6.027 -5.931 1.00 74.30 H new ATOM 0 HZ1 LYS A 458 -15.628 -4.170 -5.795 1.00 31.24 H new ATOM 0 HZ2 LYS A 458 -16.365 -5.568 -5.174 1.00 31.24 H new ATOM 0 HZ3 LYS A 458 -15.787 -4.371 -4.116 1.00 31.24 H new ATOM 160 N ARG A 459 -9.845 -6.602 -6.111 1.00 25.52 N ATOM 161 CA ARG A 459 -8.997 -5.446 -6.110 1.00 50.25 C ATOM 162 C ARG A 459 -9.835 -4.189 -6.367 1.00 63.33 C ATOM 163 O ARG A 459 -10.875 -4.258 -7.033 1.00 52.32 O ATOM 164 CB ARG A 459 -7.911 -5.581 -7.169 1.00 34.04 C ATOM 165 CG ARG A 459 -7.159 -6.900 -7.093 1.00 0.13 C ATOM 166 CD ARG A 459 -5.891 -6.901 -7.930 1.00 71.10 C ATOM 167 NE ARG A 459 -6.114 -6.508 -9.327 1.00 53.35 N ATOM 168 CZ ARG A 459 -5.164 -6.031 -10.157 1.00 3.02 C ATOM 169 NH1 ARG A 459 -3.905 -5.895 -9.731 1.00 24.35 N ATOM 170 NH2 ARG A 459 -5.480 -5.694 -11.403 1.00 73.45 N ATOM 0 H ARG A 459 -10.235 -6.836 -7.024 1.00 25.52 H new ATOM 0 HA ARG A 459 -8.517 -5.362 -5.135 1.00 50.25 H new ATOM 0 HB2 ARG A 459 -8.362 -5.484 -8.157 1.00 34.04 H new ATOM 0 HB3 ARG A 459 -7.203 -4.760 -7.060 1.00 34.04 H new ATOM 0 HG2 ARG A 459 -6.904 -7.109 -6.054 1.00 0.13 H new ATOM 0 HG3 ARG A 459 -7.812 -7.706 -7.429 1.00 0.13 H new ATOM 0 HD2 ARG A 459 -5.167 -6.221 -7.480 1.00 71.10 H new ATOM 0 HD3 ARG A 459 -5.450 -7.897 -7.907 1.00 71.10 H new ATOM 0 HE ARG A 459 -7.059 -6.603 -9.698 1.00 53.35 H new ATOM 0 HH11 ARG A 459 -3.659 -6.152 -8.775 1.00 24.35 H new ATOM 0 HH12 ARG A 459 -3.189 -5.534 -10.362 1.00 24.35 H new ATOM 0 HH21 ARG A 459 -6.440 -5.796 -11.731 1.00 73.45 H new ATOM 0 HH22 ARG A 459 -4.762 -5.333 -12.031 1.00 73.45 H new ATOM 184 N LEU A 460 -9.391 -3.062 -5.838 1.00 31.42 N ATOM 185 CA LEU A 460 -10.095 -1.778 -5.976 1.00 34.31 C ATOM 186 C LEU A 460 -9.120 -0.720 -6.402 1.00 23.15 C ATOM 187 O LEU A 460 -8.012 -0.668 -5.881 1.00 21.05 O ATOM 188 CB LEU A 460 -10.737 -1.296 -4.640 1.00 22.30 C ATOM 189 CG LEU A 460 -11.898 -2.095 -4.018 1.00 55.45 C ATOM 190 CD1 LEU A 460 -13.047 -2.242 -4.991 1.00 54.42 C ATOM 191 CD2 LEU A 460 -11.451 -3.441 -3.450 1.00 2.44 C ATOM 0 H LEU A 460 -8.529 -3.001 -5.296 1.00 31.42 H new ATOM 0 HA LEU A 460 -10.885 -1.934 -6.711 1.00 34.31 H new ATOM 0 HB2 LEU A 460 -9.942 -1.245 -3.896 1.00 22.30 H new ATOM 0 HB3 LEU A 460 -11.091 -0.277 -4.798 1.00 22.30 H new ATOM 0 HG LEU A 460 -12.259 -1.516 -3.168 1.00 55.45 H new ATOM 0 HD11 LEU A 460 -13.850 -2.810 -4.522 1.00 54.42 H new ATOM 0 HD12 LEU A 460 -13.416 -1.255 -5.270 1.00 54.42 H new ATOM 0 HD13 LEU A 460 -12.704 -2.767 -5.883 1.00 54.42 H new ATOM 0 HD21 LEU A 460 -12.310 -3.960 -3.025 1.00 2.44 H new ATOM 0 HD22 LEU A 460 -11.019 -4.047 -4.247 1.00 2.44 H new ATOM 0 HD23 LEU A 460 -10.705 -3.278 -2.673 1.00 2.44 H new ATOM 203 N ASN A 461 -9.515 0.118 -7.330 1.00 4.03 N ATOM 204 CA ASN A 461 -8.657 1.210 -7.760 1.00 63.15 C ATOM 205 C ASN A 461 -9.148 2.505 -7.143 1.00 51.11 C ATOM 206 O ASN A 461 -10.314 2.871 -7.278 1.00 2.44 O ATOM 207 CB ASN A 461 -8.541 1.328 -9.311 1.00 72.52 C ATOM 208 CG ASN A 461 -9.843 1.669 -10.033 1.00 30.11 C ATOM 209 OD1 ASN A 461 -10.175 2.844 -10.220 1.00 63.54 O ATOM 210 ND2 ASN A 461 -10.566 0.660 -10.474 1.00 31.23 N ATOM 0 H ASN A 461 -10.418 0.071 -7.803 1.00 4.03 H new ATOM 0 HA ASN A 461 -7.648 0.995 -7.409 1.00 63.15 H new ATOM 0 HB2 ASN A 461 -7.801 2.093 -9.548 1.00 72.52 H new ATOM 0 HB3 ASN A 461 -8.162 0.385 -9.704 1.00 72.52 H new ATOM 0 HD21 ASN A 461 -11.429 0.837 -10.988 1.00 31.23 H new ATOM 0 HD22 ASN A 461 -10.262 -0.298 -10.302 1.00 31.23 H new ATOM 217 N ILE A 462 -8.283 3.160 -6.438 1.00 14.21 N ATOM 218 CA ILE A 462 -8.597 4.396 -5.772 1.00 35.51 C ATOM 219 C ILE A 462 -7.703 5.496 -6.314 1.00 70.21 C ATOM 220 O ILE A 462 -6.498 5.396 -6.235 1.00 31.40 O ATOM 221 CB ILE A 462 -8.322 4.244 -4.243 1.00 62.11 C ATOM 222 CG1 ILE A 462 -9.199 3.126 -3.644 1.00 75.31 C ATOM 223 CG2 ILE A 462 -8.521 5.568 -3.503 1.00 44.12 C ATOM 224 CD1 ILE A 462 -8.945 2.851 -2.175 1.00 52.10 C ATOM 0 H ILE A 462 -7.320 2.851 -6.303 1.00 14.21 H new ATOM 0 HA ILE A 462 -9.645 4.643 -5.942 1.00 35.51 H new ATOM 0 HB ILE A 462 -7.277 3.960 -4.115 1.00 62.11 H new ATOM 0 HG12 ILE A 462 -10.247 3.394 -3.775 1.00 75.31 H new ATOM 0 HG13 ILE A 462 -9.031 2.208 -4.207 1.00 75.31 H new ATOM 0 HG21 ILE A 462 -8.321 5.425 -2.441 1.00 44.12 H new ATOM 0 HG22 ILE A 462 -7.836 6.315 -3.904 1.00 44.12 H new ATOM 0 HG23 ILE A 462 -9.548 5.909 -3.636 1.00 44.12 H new ATOM 0 HD11 ILE A 462 -9.604 2.052 -1.835 1.00 52.10 H new ATOM 0 HD12 ILE A 462 -7.907 2.550 -2.035 1.00 52.10 H new ATOM 0 HD13 ILE A 462 -9.142 3.754 -1.597 1.00 52.10 H new ATOM 236 N GLN A 463 -8.279 6.523 -6.862 1.00 61.33 N ATOM 237 CA GLN A 463 -7.494 7.638 -7.324 1.00 24.10 C ATOM 238 C GLN A 463 -7.524 8.778 -6.352 1.00 22.32 C ATOM 239 O GLN A 463 -8.592 9.240 -5.934 1.00 5.45 O ATOM 240 CB GLN A 463 -7.831 8.046 -8.745 1.00 74.30 C ATOM 241 CG GLN A 463 -7.323 7.042 -9.759 1.00 63.01 C ATOM 242 CD GLN A 463 -7.682 7.385 -11.188 1.00 74.53 C ATOM 243 OE1 GLN A 463 -8.704 8.015 -11.456 1.00 4.32 O ATOM 244 NE2 GLN A 463 -6.851 6.969 -12.114 1.00 23.33 N ATOM 0 H GLN A 463 -9.285 6.617 -7.002 1.00 61.33 H new ATOM 0 HA GLN A 463 -6.458 7.302 -7.367 1.00 24.10 H new ATOM 0 HB2 GLN A 463 -8.911 8.149 -8.846 1.00 74.30 H new ATOM 0 HB3 GLN A 463 -7.397 9.024 -8.954 1.00 74.30 H new ATOM 0 HG2 GLN A 463 -6.239 6.970 -9.674 1.00 63.01 H new ATOM 0 HG3 GLN A 463 -7.728 6.059 -9.518 1.00 63.01 H new ATOM 0 HE21 GLN A 463 -6.014 6.449 -11.851 1.00 23.33 H new ATOM 0 HE22 GLN A 463 -7.042 7.165 -13.096 1.00 23.33 H new ATOM 253 N LEU A 464 -6.361 9.216 -5.999 1.00 2.21 N ATOM 254 CA LEU A 464 -6.156 10.170 -5.007 1.00 71.41 C ATOM 255 C LEU A 464 -5.570 11.415 -5.656 1.00 30.11 C ATOM 256 O LEU A 464 -4.737 11.314 -6.554 1.00 2.24 O ATOM 257 CB LEU A 464 -5.132 9.564 -4.095 1.00 72.12 C ATOM 258 CG LEU A 464 -5.306 9.825 -2.626 1.00 43.34 C ATOM 259 CD1 LEU A 464 -6.620 9.180 -2.092 1.00 0.31 C ATOM 260 CD2 LEU A 464 -4.096 9.326 -1.867 1.00 62.21 C ATOM 0 H LEU A 464 -5.495 8.889 -6.428 1.00 2.21 H new ATOM 0 HA LEU A 464 -7.071 10.440 -4.479 1.00 71.41 H new ATOM 0 HB2 LEU A 464 -5.131 8.485 -4.252 1.00 72.12 H new ATOM 0 HB3 LEU A 464 -4.150 9.931 -4.393 1.00 72.12 H new ATOM 0 HG LEU A 464 -5.391 10.900 -2.469 1.00 43.34 H new ATOM 0 HD11 LEU A 464 -6.719 9.385 -1.026 1.00 0.31 H new ATOM 0 HD12 LEU A 464 -7.474 9.600 -2.623 1.00 0.31 H new ATOM 0 HD13 LEU A 464 -6.588 8.102 -2.252 1.00 0.31 H new ATOM 0 HD21 LEU A 464 -4.229 9.519 -0.802 1.00 62.21 H new ATOM 0 HD22 LEU A 464 -3.981 8.254 -2.030 1.00 62.21 H new ATOM 0 HD23 LEU A 464 -3.205 9.845 -2.221 1.00 62.21 H new ATOM 272 N LYS A 465 -6.002 12.549 -5.222 1.00 0.45 N ATOM 273 CA LYS A 465 -5.566 13.794 -5.737 1.00 23.11 C ATOM 274 C LYS A 465 -4.570 14.381 -4.774 1.00 62.25 C ATOM 275 O LYS A 465 -4.866 14.548 -3.588 1.00 1.31 O ATOM 276 CB LYS A 465 -6.769 14.738 -5.862 1.00 24.42 C ATOM 277 CG LYS A 465 -6.501 16.160 -6.408 1.00 3.01 C ATOM 278 CD LYS A 465 -6.350 16.254 -7.943 1.00 52.11 C ATOM 279 CE LYS A 465 -5.172 15.487 -8.510 1.00 60.11 C ATOM 280 NZ LYS A 465 -5.022 15.741 -9.957 1.00 22.22 N ATOM 0 H LYS A 465 -6.691 12.634 -4.475 1.00 0.45 H new ATOM 0 HA LYS A 465 -5.109 13.660 -6.717 1.00 23.11 H new ATOM 0 HB2 LYS A 465 -7.506 14.262 -6.509 1.00 24.42 H new ATOM 0 HB3 LYS A 465 -7.225 14.835 -4.877 1.00 24.42 H new ATOM 0 HG2 LYS A 465 -7.318 16.812 -6.098 1.00 3.01 H new ATOM 0 HG3 LYS A 465 -5.593 16.545 -5.945 1.00 3.01 H new ATOM 0 HD2 LYS A 465 -7.264 15.885 -8.408 1.00 52.11 H new ATOM 0 HD3 LYS A 465 -6.251 17.303 -8.222 1.00 52.11 H new ATOM 0 HE2 LYS A 465 -4.260 15.778 -7.990 1.00 60.11 H new ATOM 0 HE3 LYS A 465 -5.311 14.420 -8.337 1.00 60.11 H new ATOM 0 HZ1 LYS A 465 -4.032 15.983 -10.166 1.00 22.22 H new ATOM 0 HZ2 LYS A 465 -5.290 14.888 -10.489 1.00 22.22 H new ATOM 0 HZ3 LYS A 465 -5.638 16.531 -10.237 1.00 22.22 H new ATOM 294 N LYS A 466 -3.393 14.638 -5.264 1.00 53.11 N ATOM 295 CA LYS A 466 -2.358 15.294 -4.483 1.00 34.53 C ATOM 296 C LYS A 466 -2.803 16.714 -4.104 1.00 32.10 C ATOM 297 O LYS A 466 -2.642 17.663 -4.873 1.00 50.04 O ATOM 298 CB LYS A 466 -1.014 15.329 -5.240 1.00 73.13 C ATOM 299 CG LYS A 466 0.133 15.937 -4.436 1.00 10.13 C ATOM 300 CD LYS A 466 1.451 15.963 -5.213 1.00 61.44 C ATOM 301 CE LYS A 466 1.411 16.900 -6.423 1.00 21.25 C ATOM 302 NZ LYS A 466 1.182 18.317 -6.036 1.00 64.23 N ATOM 0 H LYS A 466 -3.112 14.403 -6.216 1.00 53.11 H new ATOM 0 HA LYS A 466 -2.205 14.716 -3.572 1.00 34.53 H new ATOM 0 HB2 LYS A 466 -0.744 14.313 -5.528 1.00 73.13 H new ATOM 0 HB3 LYS A 466 -1.141 15.899 -6.161 1.00 73.13 H new ATOM 0 HG2 LYS A 466 -0.132 16.953 -4.144 1.00 10.13 H new ATOM 0 HG3 LYS A 466 0.269 15.367 -3.517 1.00 10.13 H new ATOM 0 HD2 LYS A 466 2.254 16.274 -4.545 1.00 61.44 H new ATOM 0 HD3 LYS A 466 1.689 14.954 -5.549 1.00 61.44 H new ATOM 0 HE2 LYS A 466 2.351 16.823 -6.970 1.00 21.25 H new ATOM 0 HE3 LYS A 466 0.620 16.579 -7.101 1.00 21.25 H new ATOM 0 HZ1 LYS A 466 1.347 18.932 -6.858 1.00 64.23 H new ATOM 0 HZ2 LYS A 466 0.202 18.433 -5.708 1.00 64.23 H new ATOM 0 HZ3 LYS A 466 1.836 18.578 -5.271 1.00 64.23 H new ATOM 316 N GLY A 467 -3.416 16.828 -2.952 1.00 4.11 N ATOM 317 CA GLY A 467 -3.889 18.090 -2.479 1.00 33.33 C ATOM 318 C GLY A 467 -3.194 18.507 -1.219 1.00 50.54 C ATOM 319 O GLY A 467 -2.893 17.658 -0.366 1.00 13.42 O ATOM 0 H GLY A 467 -3.597 16.046 -2.322 1.00 4.11 H new ATOM 0 HA2 GLY A 467 -3.734 18.847 -3.247 1.00 33.33 H new ATOM 0 HA3 GLY A 467 -4.963 18.032 -2.300 1.00 33.33 H new ATOM 323 N THR A 468 -2.941 19.801 -1.111 1.00 53.42 N ATOM 324 CA THR A 468 -2.272 20.460 0.016 1.00 31.54 C ATOM 325 C THR A 468 -0.905 19.836 0.422 1.00 65.04 C ATOM 326 O THR A 468 0.147 20.318 -0.020 1.00 23.33 O ATOM 327 CB THR A 468 -3.216 20.815 1.242 1.00 52.34 C ATOM 328 OG1 THR A 468 -2.467 21.487 2.262 1.00 3.12 O ATOM 329 CG2 THR A 468 -3.914 19.597 1.846 1.00 72.21 C ATOM 0 H THR A 468 -3.208 20.461 -1.842 1.00 53.42 H new ATOM 0 HA THR A 468 -2.004 21.433 -0.395 1.00 31.54 H new ATOM 0 HB THR A 468 -3.996 21.466 0.847 1.00 52.34 H new ATOM 0 HG1 THR A 468 -3.058 21.703 3.013 1.00 3.12 H new ATOM 0 HG21 THR A 468 -4.542 19.913 2.679 1.00 72.21 H new ATOM 0 HG22 THR A 468 -4.532 19.118 1.087 1.00 72.21 H new ATOM 0 HG23 THR A 468 -3.166 18.890 2.204 1.00 72.21 H new ATOM 337 N GLU A 469 -0.909 18.774 1.219 1.00 50.53 N ATOM 338 CA GLU A 469 0.332 18.163 1.653 1.00 71.43 C ATOM 339 C GLU A 469 0.646 16.970 0.747 1.00 3.14 C ATOM 340 O GLU A 469 1.777 16.465 0.699 1.00 2.11 O ATOM 341 CB GLU A 469 0.240 17.746 3.133 1.00 5.42 C ATOM 342 CG GLU A 469 1.573 17.336 3.732 1.00 70.24 C ATOM 343 CD GLU A 469 1.491 16.966 5.191 1.00 13.21 C ATOM 344 OE1 GLU A 469 1.444 17.871 6.050 1.00 51.42 O ATOM 345 OE2 GLU A 469 1.505 15.767 5.511 1.00 43.53 O ATOM 0 H GLU A 469 -1.753 18.324 1.573 1.00 50.53 H new ATOM 0 HA GLU A 469 1.146 18.883 1.573 1.00 71.43 H new ATOM 0 HB2 GLU A 469 -0.169 18.575 3.711 1.00 5.42 H new ATOM 0 HB3 GLU A 469 -0.461 16.916 3.225 1.00 5.42 H new ATOM 0 HG2 GLU A 469 1.968 16.488 3.172 1.00 70.24 H new ATOM 0 HG3 GLU A 469 2.283 18.155 3.613 1.00 70.24 H new ATOM 352 N GLY A 470 -0.360 16.554 0.007 1.00 11.41 N ATOM 353 CA GLY A 470 -0.229 15.463 -0.911 1.00 61.30 C ATOM 354 C GLY A 470 -0.125 14.125 -0.237 1.00 75.33 C ATOM 355 O GLY A 470 -0.563 13.980 0.892 1.00 0.04 O ATOM 0 H GLY A 470 -1.291 16.970 0.032 1.00 11.41 H new ATOM 0 HA2 GLY A 470 -1.088 15.458 -1.582 1.00 61.30 H new ATOM 0 HA3 GLY A 470 0.656 15.621 -1.527 1.00 61.30 H new ATOM 359 N LEU A 471 0.473 13.164 -0.921 1.00 11.41 N ATOM 360 CA LEU A 471 0.483 11.752 -0.510 1.00 45.22 C ATOM 361 C LEU A 471 0.856 11.549 0.938 1.00 44.13 C ATOM 362 O LEU A 471 2.009 11.652 1.324 1.00 61.03 O ATOM 363 CB LEU A 471 1.336 10.863 -1.434 1.00 31.41 C ATOM 364 CG LEU A 471 0.833 10.672 -2.889 1.00 21.22 C ATOM 365 CD1 LEU A 471 0.852 11.960 -3.689 1.00 41.23 C ATOM 366 CD2 LEU A 471 1.628 9.589 -3.583 1.00 63.21 C ATOM 0 H LEU A 471 0.975 13.336 -1.792 1.00 11.41 H new ATOM 0 HA LEU A 471 -0.553 11.428 -0.614 1.00 45.22 H new ATOM 0 HB2 LEU A 471 2.341 11.284 -1.475 1.00 31.41 H new ATOM 0 HB3 LEU A 471 1.421 9.879 -0.973 1.00 31.41 H new ATOM 0 HG LEU A 471 -0.210 10.362 -2.830 1.00 21.22 H new ATOM 0 HD11 LEU A 471 0.490 11.767 -4.699 1.00 41.23 H new ATOM 0 HD12 LEU A 471 0.209 12.697 -3.208 1.00 41.23 H new ATOM 0 HD13 LEU A 471 1.871 12.344 -3.736 1.00 41.23 H new ATOM 0 HD21 LEU A 471 1.263 9.467 -4.603 1.00 63.21 H new ATOM 0 HD22 LEU A 471 2.681 9.869 -3.605 1.00 63.21 H new ATOM 0 HD23 LEU A 471 1.513 8.650 -3.042 1.00 63.21 H new ATOM 378 N GLY A 472 -0.153 11.259 1.726 1.00 31.33 N ATOM 379 CA GLY A 472 0.017 11.084 3.127 1.00 2.33 C ATOM 380 C GLY A 472 -0.362 9.706 3.547 1.00 24.20 C ATOM 381 O GLY A 472 -1.215 9.520 4.387 1.00 72.15 O ATOM 0 H GLY A 472 -1.112 11.140 1.401 1.00 31.33 H new ATOM 0 HA2 GLY A 472 1.055 11.277 3.397 1.00 2.33 H new ATOM 0 HA3 GLY A 472 -0.592 11.811 3.664 1.00 2.33 H new ATOM 385 N PHE A 473 0.231 8.752 2.925 1.00 4.51 N ATOM 386 CA PHE A 473 0.047 7.378 3.273 1.00 54.34 C ATOM 387 C PHE A 473 1.375 6.683 3.265 1.00 12.44 C ATOM 388 O PHE A 473 2.239 6.986 2.434 1.00 75.55 O ATOM 389 CB PHE A 473 -0.996 6.676 2.366 1.00 53.32 C ATOM 390 CG PHE A 473 -0.699 6.667 0.886 1.00 12.15 C ATOM 391 CD1 PHE A 473 -0.840 7.822 0.135 1.00 22.34 C ATOM 392 CD2 PHE A 473 -0.300 5.501 0.243 1.00 43.41 C ATOM 393 CE1 PHE A 473 -0.587 7.820 -1.213 1.00 54.22 C ATOM 394 CE2 PHE A 473 -0.046 5.499 -1.118 1.00 22.04 C ATOM 395 CZ PHE A 473 -0.189 6.669 -1.840 1.00 12.21 C ATOM 0 H PHE A 473 0.871 8.900 2.145 1.00 4.51 H new ATOM 0 HA PHE A 473 -0.366 7.324 4.280 1.00 54.34 H new ATOM 0 HB2 PHE A 473 -1.100 5.644 2.700 1.00 53.32 H new ATOM 0 HB3 PHE A 473 -1.961 7.159 2.518 1.00 53.32 H new ATOM 0 HD1 PHE A 473 -1.153 8.736 0.617 1.00 22.34 H new ATOM 0 HD2 PHE A 473 -0.187 4.589 0.810 1.00 43.41 H new ATOM 0 HE1 PHE A 473 -0.702 8.730 -1.783 1.00 54.22 H new ATOM 0 HE2 PHE A 473 0.262 4.589 -1.612 1.00 22.04 H new ATOM 0 HZ PHE A 473 0.014 6.676 -2.901 1.00 12.21 H new ATOM 405 N SER A 474 1.554 5.800 4.184 1.00 74.02 N ATOM 406 CA SER A 474 2.778 5.093 4.310 1.00 13.51 C ATOM 407 C SER A 474 2.554 3.620 4.042 1.00 12.34 C ATOM 408 O SER A 474 1.452 3.108 4.225 1.00 24.04 O ATOM 409 CB SER A 474 3.338 5.322 5.715 1.00 25.41 C ATOM 410 OG SER A 474 2.363 4.996 6.704 1.00 21.33 O ATOM 0 H SER A 474 0.848 5.546 4.875 1.00 74.02 H new ATOM 0 HA SER A 474 3.500 5.457 3.579 1.00 13.51 H new ATOM 0 HB2 SER A 474 4.230 4.712 5.861 1.00 25.41 H new ATOM 0 HB3 SER A 474 3.642 6.363 5.826 1.00 25.41 H new ATOM 0 HG SER A 474 2.739 5.147 7.596 1.00 21.33 H new ATOM 416 N ILE A 475 3.572 2.959 3.602 1.00 33.24 N ATOM 417 CA ILE A 475 3.516 1.555 3.318 1.00 14.34 C ATOM 418 C ILE A 475 4.497 0.800 4.173 1.00 33.54 C ATOM 419 O ILE A 475 5.523 1.337 4.587 1.00 64.52 O ATOM 420 CB ILE A 475 3.766 1.247 1.837 1.00 65.30 C ATOM 421 CG1 ILE A 475 4.940 2.084 1.320 1.00 32.51 C ATOM 422 CG2 ILE A 475 2.494 1.425 0.994 1.00 4.13 C ATOM 423 CD1 ILE A 475 5.338 1.767 -0.078 1.00 2.22 C ATOM 0 H ILE A 475 4.483 3.382 3.425 1.00 33.24 H new ATOM 0 HA ILE A 475 2.504 1.227 3.554 1.00 14.34 H new ATOM 0 HB ILE A 475 4.039 0.196 1.740 1.00 65.30 H new ATOM 0 HG12 ILE A 475 4.675 3.140 1.381 1.00 32.51 H new ATOM 0 HG13 ILE A 475 5.798 1.932 1.975 1.00 32.51 H new ATOM 0 HG21 ILE A 475 2.714 1.197 -0.049 1.00 4.13 H new ATOM 0 HG22 ILE A 475 1.719 0.750 1.357 1.00 4.13 H new ATOM 0 HG23 ILE A 475 2.145 2.455 1.075 1.00 4.13 H new ATOM 0 HD11 ILE A 475 6.175 2.401 -0.371 1.00 2.22 H new ATOM 0 HD12 ILE A 475 5.635 0.720 -0.143 1.00 2.22 H new ATOM 0 HD13 ILE A 475 4.496 1.947 -0.746 1.00 2.22 H new ATOM 435 N THR A 476 4.180 -0.419 4.451 1.00 12.54 N ATOM 436 CA THR A 476 4.997 -1.236 5.274 1.00 21.53 C ATOM 437 C THR A 476 4.958 -2.675 4.770 1.00 5.12 C ATOM 438 O THR A 476 4.032 -3.067 4.034 1.00 45.52 O ATOM 439 CB THR A 476 4.505 -1.164 6.755 1.00 64.24 C ATOM 440 OG1 THR A 476 5.369 -1.906 7.625 1.00 54.24 O ATOM 441 CG2 THR A 476 3.071 -1.684 6.893 1.00 21.21 C ATOM 0 H THR A 476 3.337 -0.879 4.108 1.00 12.54 H new ATOM 0 HA THR A 476 6.025 -0.875 5.232 1.00 21.53 H new ATOM 0 HB THR A 476 4.526 -0.114 7.047 1.00 64.24 H new ATOM 0 HG1 THR A 476 5.039 -1.843 8.546 1.00 54.24 H new ATOM 0 HG21 THR A 476 2.760 -1.620 7.936 1.00 21.21 H new ATOM 0 HG22 THR A 476 2.404 -1.080 6.277 1.00 21.21 H new ATOM 0 HG23 THR A 476 3.027 -2.722 6.564 1.00 21.21 H new ATOM 449 N SER A 477 5.969 -3.419 5.112 1.00 71.15 N ATOM 450 CA SER A 477 6.062 -4.807 4.805 1.00 73.41 C ATOM 451 C SER A 477 6.688 -5.504 6.001 1.00 50.20 C ATOM 452 O SER A 477 7.687 -5.028 6.545 1.00 72.33 O ATOM 453 CB SER A 477 6.897 -5.014 3.537 1.00 51.42 C ATOM 454 OG SER A 477 8.183 -4.431 3.675 1.00 43.14 O ATOM 0 H SER A 477 6.773 -3.061 5.628 1.00 71.15 H new ATOM 0 HA SER A 477 5.075 -5.228 4.611 1.00 73.41 H new ATOM 0 HB2 SER A 477 6.997 -6.080 3.333 1.00 51.42 H new ATOM 0 HB3 SER A 477 6.383 -4.573 2.683 1.00 51.42 H new ATOM 0 HG SER A 477 8.698 -4.577 2.854 1.00 43.14 H new ATOM 460 N ARG A 478 6.098 -6.581 6.434 1.00 31.13 N ATOM 461 CA ARG A 478 6.587 -7.304 7.581 1.00 63.54 C ATOM 462 C ARG A 478 6.979 -8.710 7.205 1.00 40.25 C ATOM 463 O ARG A 478 8.141 -9.099 7.332 1.00 13.42 O ATOM 464 CB ARG A 478 5.535 -7.309 8.683 1.00 62.32 C ATOM 465 CG ARG A 478 5.249 -5.926 9.229 1.00 1.11 C ATOM 466 CD ARG A 478 4.182 -5.959 10.287 1.00 43.51 C ATOM 467 NE ARG A 478 3.953 -4.629 10.881 1.00 23.13 N ATOM 468 CZ ARG A 478 2.758 -4.159 11.289 1.00 64.03 C ATOM 469 NH1 ARG A 478 1.645 -4.856 11.055 1.00 52.50 N ATOM 470 NH2 ARG A 478 2.679 -2.979 11.912 1.00 32.14 N ATOM 0 H ARG A 478 5.265 -6.985 6.005 1.00 31.13 H new ATOM 0 HA ARG A 478 7.479 -6.801 7.954 1.00 63.54 H new ATOM 0 HB2 ARG A 478 4.612 -7.739 8.295 1.00 62.32 H new ATOM 0 HB3 ARG A 478 5.870 -7.953 9.496 1.00 62.32 H new ATOM 0 HG2 ARG A 478 6.163 -5.503 9.646 1.00 1.11 H new ATOM 0 HG3 ARG A 478 4.936 -5.271 8.416 1.00 1.11 H new ATOM 0 HD2 ARG A 478 3.252 -6.327 9.853 1.00 43.51 H new ATOM 0 HD3 ARG A 478 4.469 -6.661 11.070 1.00 43.51 H new ATOM 0 HE ARG A 478 4.762 -4.017 10.992 1.00 23.13 H new ATOM 0 HH11 ARG A 478 1.696 -5.749 10.565 1.00 52.50 H new ATOM 0 HH12 ARG A 478 0.743 -4.496 11.366 1.00 52.50 H new ATOM 0 HH21 ARG A 478 3.524 -2.433 12.079 1.00 32.14 H new ATOM 0 HH22 ARG A 478 1.774 -2.625 12.220 1.00 32.14 H new ATOM 484 N ASP A 479 6.024 -9.455 6.712 1.00 25.45 N ATOM 485 CA ASP A 479 6.232 -10.832 6.324 1.00 30.11 C ATOM 486 C ASP A 479 5.170 -11.215 5.324 1.00 72.54 C ATOM 487 O ASP A 479 4.158 -10.510 5.191 1.00 71.23 O ATOM 488 CB ASP A 479 6.193 -11.762 7.566 1.00 52.44 C ATOM 489 CG ASP A 479 6.336 -13.236 7.229 1.00 61.40 C ATOM 490 OD1 ASP A 479 7.352 -13.627 6.616 1.00 10.44 O ATOM 491 OD2 ASP A 479 5.410 -14.018 7.531 1.00 54.40 O ATOM 0 H ASP A 479 5.071 -9.123 6.566 1.00 25.45 H new ATOM 0 HA ASP A 479 7.215 -10.944 5.867 1.00 30.11 H new ATOM 0 HB2 ASP A 479 6.993 -11.475 8.249 1.00 52.44 H new ATOM 0 HB3 ASP A 479 5.252 -11.609 8.094 1.00 52.44 H new ATOM 496 N VAL A 480 5.390 -12.284 4.603 1.00 53.14 N ATOM 497 CA VAL A 480 4.435 -12.738 3.636 1.00 23.32 C ATOM 498 C VAL A 480 3.272 -13.423 4.339 1.00 1.43 C ATOM 499 O VAL A 480 3.343 -14.589 4.724 1.00 50.24 O ATOM 500 CB VAL A 480 5.067 -13.653 2.567 1.00 64.12 C ATOM 501 CG1 VAL A 480 4.071 -14.058 1.504 1.00 24.13 C ATOM 502 CG2 VAL A 480 6.304 -13.025 1.950 1.00 1.21 C ATOM 0 H VAL A 480 6.231 -12.858 4.671 1.00 53.14 H new ATOM 0 HA VAL A 480 4.060 -11.865 3.102 1.00 23.32 H new ATOM 0 HB VAL A 480 5.379 -14.563 3.080 1.00 64.12 H new ATOM 0 HG11 VAL A 480 4.561 -14.701 0.773 1.00 24.13 H new ATOM 0 HG12 VAL A 480 3.244 -14.597 1.966 1.00 24.13 H new ATOM 0 HG13 VAL A 480 3.689 -13.167 1.005 1.00 24.13 H new ATOM 0 HG21 VAL A 480 6.720 -13.700 1.202 1.00 1.21 H new ATOM 0 HG22 VAL A 480 6.035 -12.080 1.477 1.00 1.21 H new ATOM 0 HG23 VAL A 480 7.046 -12.843 2.727 1.00 1.21 H new ATOM 512 N THR A 481 2.235 -12.653 4.536 1.00 51.53 N ATOM 513 CA THR A 481 1.032 -13.062 5.205 1.00 54.32 C ATOM 514 C THR A 481 0.061 -13.742 4.262 1.00 1.03 C ATOM 515 O THR A 481 -0.927 -14.358 4.683 1.00 74.43 O ATOM 516 CB THR A 481 0.392 -11.819 5.799 1.00 51.31 C ATOM 517 OG1 THR A 481 0.422 -10.799 4.778 1.00 44.15 O ATOM 518 CG2 THR A 481 1.174 -11.340 7.005 1.00 4.00 C ATOM 0 H THR A 481 2.206 -11.683 4.221 1.00 51.53 H new ATOM 0 HA THR A 481 1.281 -13.788 5.979 1.00 54.32 H new ATOM 0 HB THR A 481 -0.627 -12.036 6.120 1.00 51.31 H new ATOM 0 HG1 THR A 481 1.160 -10.179 4.956 1.00 44.15 H new ATOM 0 HG21 THR A 481 0.699 -10.449 7.416 1.00 4.00 H new ATOM 0 HG22 THR A 481 1.191 -12.124 7.762 1.00 4.00 H new ATOM 0 HG23 THR A 481 2.195 -11.102 6.706 1.00 4.00 H new ATOM 526 N ILE A 482 0.347 -13.648 3.003 1.00 54.34 N ATOM 527 CA ILE A 482 -0.527 -14.194 1.989 1.00 63.13 C ATOM 528 C ILE A 482 0.246 -14.626 0.731 1.00 30.21 C ATOM 529 O ILE A 482 0.216 -15.800 0.353 1.00 52.23 O ATOM 530 CB ILE A 482 -1.694 -13.204 1.651 1.00 32.04 C ATOM 531 CG1 ILE A 482 -2.604 -13.744 0.538 1.00 40.42 C ATOM 532 CG2 ILE A 482 -1.188 -11.800 1.330 1.00 22.33 C ATOM 533 CD1 ILE A 482 -3.319 -15.035 0.889 1.00 41.52 C ATOM 0 H ILE A 482 1.186 -13.195 2.640 1.00 54.34 H new ATOM 0 HA ILE A 482 -0.976 -15.098 2.401 1.00 63.13 H new ATOM 0 HB ILE A 482 -2.300 -13.124 2.553 1.00 32.04 H new ATOM 0 HG12 ILE A 482 -3.347 -12.986 0.292 1.00 40.42 H new ATOM 0 HG13 ILE A 482 -2.005 -13.906 -0.358 1.00 40.42 H new ATOM 0 HG21 ILE A 482 -2.034 -11.151 1.103 1.00 22.33 H new ATOM 0 HG22 ILE A 482 -0.647 -11.403 2.189 1.00 22.33 H new ATOM 0 HG23 ILE A 482 -0.521 -11.842 0.469 1.00 22.33 H new ATOM 0 HD11 ILE A 482 -3.940 -15.347 0.049 1.00 41.52 H new ATOM 0 HD12 ILE A 482 -2.584 -15.811 1.105 1.00 41.52 H new ATOM 0 HD13 ILE A 482 -3.947 -14.876 1.766 1.00 41.52 H new ATOM 545 N GLY A 483 0.941 -13.698 0.107 1.00 64.42 N ATOM 546 CA GLY A 483 1.702 -13.999 -1.079 1.00 74.02 C ATOM 547 C GLY A 483 2.344 -12.755 -1.618 1.00 0.43 C ATOM 548 O GLY A 483 1.813 -11.659 -1.427 1.00 4.33 O ATOM 0 H GLY A 483 0.992 -12.724 0.407 1.00 64.42 H new ATOM 0 HA2 GLY A 483 2.467 -14.741 -0.849 1.00 74.02 H new ATOM 0 HA3 GLY A 483 1.051 -14.437 -1.835 1.00 74.02 H new ATOM 552 N GLY A 484 3.491 -12.901 -2.230 1.00 34.30 N ATOM 553 CA GLY A 484 4.171 -11.784 -2.810 1.00 23.21 C ATOM 554 C GLY A 484 5.522 -11.609 -2.197 1.00 43.32 C ATOM 555 O GLY A 484 5.865 -12.322 -1.246 1.00 70.22 O ATOM 0 H GLY A 484 3.973 -13.794 -2.337 1.00 34.30 H new ATOM 0 HA2 GLY A 484 4.271 -11.932 -3.885 1.00 23.21 H new ATOM 0 HA3 GLY A 484 3.581 -10.879 -2.666 1.00 23.21 H new ATOM 559 N SER A 485 6.293 -10.686 -2.708 1.00 1.34 N ATOM 560 CA SER A 485 7.603 -10.430 -2.166 1.00 71.31 C ATOM 561 C SER A 485 7.454 -9.502 -0.973 1.00 24.13 C ATOM 562 O SER A 485 7.646 -8.285 -1.087 1.00 3.21 O ATOM 563 CB SER A 485 8.505 -9.818 -3.233 1.00 41.43 C ATOM 564 OG SER A 485 8.467 -10.610 -4.425 1.00 2.55 O ATOM 0 H SER A 485 6.037 -10.097 -3.501 1.00 1.34 H new ATOM 0 HA SER A 485 8.067 -11.361 -1.842 1.00 71.31 H new ATOM 0 HB2 SER A 485 8.182 -8.801 -3.453 1.00 41.43 H new ATOM 0 HB3 SER A 485 9.528 -9.754 -2.862 1.00 41.43 H new ATOM 0 HG SER A 485 7.682 -10.363 -4.957 1.00 2.55 H new ATOM 570 N ALA A 486 7.018 -10.099 0.140 1.00 41.11 N ATOM 571 CA ALA A 486 6.682 -9.393 1.367 1.00 63.43 C ATOM 572 C ALA A 486 5.569 -8.381 1.091 1.00 51.24 C ATOM 573 O ALA A 486 5.848 -7.205 0.845 1.00 75.31 O ATOM 574 CB ALA A 486 7.903 -8.732 2.014 1.00 55.32 C ATOM 0 H ALA A 486 6.888 -11.108 0.208 1.00 41.11 H new ATOM 0 HA ALA A 486 6.321 -10.124 2.090 1.00 63.43 H new ATOM 0 HB1 ALA A 486 7.598 -8.219 2.926 1.00 55.32 H new ATOM 0 HB2 ALA A 486 8.643 -9.494 2.257 1.00 55.32 H new ATOM 0 HB3 ALA A 486 8.337 -8.012 1.320 1.00 55.32 H new ATOM 580 N PRO A 487 4.276 -8.871 1.034 1.00 44.04 N ATOM 581 CA PRO A 487 3.084 -8.051 0.730 1.00 34.02 C ATOM 582 C PRO A 487 3.124 -6.628 1.304 1.00 20.32 C ATOM 583 O PRO A 487 3.458 -6.416 2.478 1.00 24.14 O ATOM 584 CB PRO A 487 1.922 -8.859 1.354 1.00 31.55 C ATOM 585 CG PRO A 487 2.546 -10.116 1.905 1.00 2.41 C ATOM 586 CD PRO A 487 3.879 -10.265 1.229 1.00 3.22 C ATOM 0 HA PRO A 487 2.995 -7.887 -0.344 1.00 34.02 H new ATOM 0 HB2 PRO A 487 1.428 -8.290 2.142 1.00 31.55 H new ATOM 0 HB3 PRO A 487 1.164 -9.094 0.607 1.00 31.55 H new ATOM 0 HG2 PRO A 487 2.665 -10.048 2.986 1.00 2.41 H new ATOM 0 HG3 PRO A 487 1.913 -10.981 1.708 1.00 2.41 H new ATOM 0 HD2 PRO A 487 4.592 -10.810 1.848 1.00 3.22 H new ATOM 0 HD3 PRO A 487 3.800 -10.803 0.284 1.00 3.22 H new ATOM 594 N ILE A 488 2.751 -5.678 0.472 1.00 12.43 N ATOM 595 CA ILE A 488 2.794 -4.274 0.812 1.00 3.34 C ATOM 596 C ILE A 488 1.485 -3.889 1.494 1.00 14.41 C ATOM 597 O ILE A 488 0.409 -4.193 0.987 1.00 70.30 O ATOM 598 CB ILE A 488 2.935 -3.415 -0.477 1.00 12.20 C ATOM 599 CG1 ILE A 488 4.103 -3.898 -1.363 1.00 44.43 C ATOM 600 CG2 ILE A 488 3.115 -1.940 -0.129 1.00 74.02 C ATOM 601 CD1 ILE A 488 5.475 -3.800 -0.738 1.00 41.24 C ATOM 0 H ILE A 488 2.406 -5.863 -0.470 1.00 12.43 H new ATOM 0 HA ILE A 488 3.644 -4.096 1.470 1.00 3.34 H new ATOM 0 HB ILE A 488 2.012 -3.534 -1.045 1.00 12.20 H new ATOM 0 HG12 ILE A 488 3.922 -4.937 -1.639 1.00 44.43 H new ATOM 0 HG13 ILE A 488 4.101 -3.318 -2.286 1.00 44.43 H new ATOM 0 HG21 ILE A 488 3.212 -1.359 -1.046 1.00 74.02 H new ATOM 0 HG22 ILE A 488 2.249 -1.590 0.433 1.00 74.02 H new ATOM 0 HG23 ILE A 488 4.014 -1.816 0.475 1.00 74.02 H new ATOM 0 HD11 ILE A 488 6.223 -4.164 -1.443 1.00 41.24 H new ATOM 0 HD12 ILE A 488 5.688 -2.761 -0.488 1.00 41.24 H new ATOM 0 HD13 ILE A 488 5.506 -4.405 0.168 1.00 41.24 H new ATOM 613 N TYR A 489 1.568 -3.238 2.613 1.00 23.21 N ATOM 614 CA TYR A 489 0.388 -2.799 3.322 1.00 71.04 C ATOM 615 C TYR A 489 0.486 -1.351 3.646 1.00 53.25 C ATOM 616 O TYR A 489 1.584 -0.828 3.789 1.00 41.34 O ATOM 617 CB TYR A 489 0.169 -3.598 4.611 1.00 30.12 C ATOM 618 CG TYR A 489 -0.192 -5.039 4.381 1.00 65.24 C ATOM 619 CD1 TYR A 489 -1.434 -5.369 3.878 1.00 4.41 C ATOM 620 CD2 TYR A 489 0.701 -6.063 4.654 1.00 1.03 C ATOM 621 CE1 TYR A 489 -1.789 -6.673 3.646 1.00 13.21 C ATOM 622 CE2 TYR A 489 0.354 -7.379 4.429 1.00 33.21 C ATOM 623 CZ TYR A 489 -0.893 -7.679 3.920 1.00 62.34 C ATOM 624 OH TYR A 489 -1.251 -8.991 3.712 1.00 34.21 O ATOM 0 H TYR A 489 2.448 -2.993 3.066 1.00 23.21 H new ATOM 0 HA TYR A 489 -0.466 -2.970 2.666 1.00 71.04 H new ATOM 0 HB2 TYR A 489 1.076 -3.553 5.213 1.00 30.12 H new ATOM 0 HB3 TYR A 489 -0.623 -3.123 5.191 1.00 30.12 H new ATOM 0 HD1 TYR A 489 -2.142 -4.583 3.662 1.00 4.41 H new ATOM 0 HD2 TYR A 489 1.679 -5.828 5.047 1.00 1.03 H new ATOM 0 HE1 TYR A 489 -2.766 -6.908 3.251 1.00 13.21 H new ATOM 0 HE2 TYR A 489 1.055 -8.170 4.650 1.00 33.21 H new ATOM 0 HH TYR A 489 -0.515 -9.578 3.984 1.00 34.21 H new ATOM 634 N VAL A 490 -0.638 -0.694 3.736 1.00 63.50 N ATOM 635 CA VAL A 490 -0.654 0.693 4.124 1.00 40.41 C ATOM 636 C VAL A 490 -0.526 0.762 5.630 1.00 25.31 C ATOM 637 O VAL A 490 -1.366 0.219 6.355 1.00 43.14 O ATOM 638 CB VAL A 490 -1.958 1.403 3.686 1.00 35.43 C ATOM 639 CG1 VAL A 490 -1.923 2.882 4.051 1.00 4.11 C ATOM 640 CG2 VAL A 490 -2.195 1.229 2.199 1.00 13.12 C ATOM 0 H VAL A 490 -1.556 -1.096 3.546 1.00 63.50 H new ATOM 0 HA VAL A 490 0.175 1.202 3.632 1.00 40.41 H new ATOM 0 HB VAL A 490 -2.786 0.939 4.222 1.00 35.43 H new ATOM 0 HG11 VAL A 490 -2.851 3.357 3.732 1.00 4.11 H new ATOM 0 HG12 VAL A 490 -1.813 2.988 5.130 1.00 4.11 H new ATOM 0 HG13 VAL A 490 -1.080 3.360 3.552 1.00 4.11 H new ATOM 0 HG21 VAL A 490 -3.117 1.737 1.916 1.00 13.12 H new ATOM 0 HG22 VAL A 490 -1.360 1.657 1.645 1.00 13.12 H new ATOM 0 HG23 VAL A 490 -2.279 0.168 1.966 1.00 13.12 H new ATOM 650 N LYS A 491 0.520 1.403 6.091 1.00 61.22 N ATOM 651 CA LYS A 491 0.788 1.535 7.503 1.00 43.23 C ATOM 652 C LYS A 491 -0.159 2.534 8.132 1.00 55.41 C ATOM 653 O LYS A 491 -0.937 2.188 9.034 1.00 60.53 O ATOM 654 CB LYS A 491 2.248 1.963 7.744 1.00 51.15 C ATOM 655 CG LYS A 491 2.571 2.303 9.192 1.00 41.53 C ATOM 656 CD LYS A 491 2.441 1.118 10.110 1.00 74.25 C ATOM 657 CE LYS A 491 3.632 0.177 10.026 1.00 64.33 C ATOM 658 NZ LYS A 491 4.881 0.832 10.490 1.00 71.23 N ATOM 0 H LYS A 491 1.214 1.851 5.493 1.00 61.22 H new ATOM 0 HA LYS A 491 0.631 0.563 7.970 1.00 43.23 H new ATOM 0 HB2 LYS A 491 2.908 1.160 7.416 1.00 51.15 H new ATOM 0 HB3 LYS A 491 2.467 2.831 7.122 1.00 51.15 H new ATOM 0 HG2 LYS A 491 3.587 2.693 9.251 1.00 41.53 H new ATOM 0 HG3 LYS A 491 1.905 3.096 9.532 1.00 41.53 H new ATOM 0 HD2 LYS A 491 2.332 1.469 11.136 1.00 74.25 H new ATOM 0 HD3 LYS A 491 1.532 0.570 9.862 1.00 74.25 H new ATOM 0 HE2 LYS A 491 3.439 -0.709 10.630 1.00 64.33 H new ATOM 0 HE3 LYS A 491 3.758 -0.160 8.997 1.00 64.33 H new ATOM 0 HZ1 LYS A 491 5.581 0.105 10.742 1.00 71.23 H new ATOM 0 HZ2 LYS A 491 5.262 1.431 9.730 1.00 71.23 H new ATOM 0 HZ3 LYS A 491 4.676 1.419 11.324 1.00 71.23 H new ATOM 672 N ASN A 492 -0.101 3.753 7.663 1.00 43.11 N ATOM 673 CA ASN A 492 -0.924 4.799 8.219 1.00 72.51 C ATOM 674 C ASN A 492 -1.345 5.767 7.141 1.00 14.31 C ATOM 675 O ASN A 492 -0.709 5.870 6.082 1.00 55.31 O ATOM 676 CB ASN A 492 -0.167 5.572 9.317 1.00 34.22 C ATOM 677 CG ASN A 492 -1.074 6.530 10.100 1.00 53.43 C ATOM 678 OD1 ASN A 492 -2.275 6.276 10.259 1.00 65.02 O ATOM 679 ND2 ASN A 492 -0.523 7.614 10.583 1.00 72.31 N ATOM 0 H ASN A 492 0.506 4.047 6.898 1.00 43.11 H new ATOM 0 HA ASN A 492 -1.805 4.329 8.655 1.00 72.51 H new ATOM 0 HB2 ASN A 492 0.287 4.862 10.008 1.00 34.22 H new ATOM 0 HB3 ASN A 492 0.646 6.138 8.862 1.00 34.22 H new ATOM 0 HD21 ASN A 492 -1.087 8.281 11.110 1.00 72.31 H new ATOM 0 HD22 ASN A 492 0.470 7.792 10.433 1.00 72.31 H new ATOM 686 N ILE A 493 -2.400 6.450 7.418 1.00 70.52 N ATOM 687 CA ILE A 493 -2.950 7.466 6.591 1.00 30.11 C ATOM 688 C ILE A 493 -2.857 8.760 7.375 1.00 3.44 C ATOM 689 O ILE A 493 -3.585 8.964 8.364 1.00 51.51 O ATOM 690 CB ILE A 493 -4.428 7.123 6.278 1.00 60.43 C ATOM 691 CG1 ILE A 493 -4.527 5.869 5.430 1.00 51.32 C ATOM 692 CG2 ILE A 493 -5.177 8.253 5.632 1.00 41.25 C ATOM 693 CD1 ILE A 493 -3.977 5.994 4.029 1.00 63.50 C ATOM 0 H ILE A 493 -2.932 6.306 8.276 1.00 70.52 H new ATOM 0 HA ILE A 493 -2.417 7.553 5.644 1.00 30.11 H new ATOM 0 HB ILE A 493 -4.905 6.943 7.241 1.00 60.43 H new ATOM 0 HG12 ILE A 493 -3.999 5.063 5.940 1.00 51.32 H new ATOM 0 HG13 ILE A 493 -5.575 5.574 5.367 1.00 51.32 H new ATOM 0 HG21 ILE A 493 -6.205 7.945 5.440 1.00 41.25 H new ATOM 0 HG22 ILE A 493 -5.175 9.118 6.296 1.00 41.25 H new ATOM 0 HG23 ILE A 493 -4.696 8.517 4.690 1.00 41.25 H new ATOM 0 HD11 ILE A 493 -4.095 5.045 3.506 1.00 63.50 H new ATOM 0 HD12 ILE A 493 -4.519 6.773 3.494 1.00 63.50 H new ATOM 0 HD13 ILE A 493 -2.919 6.254 4.075 1.00 63.50 H new ATOM 705 N LEU A 494 -1.920 9.580 6.986 1.00 33.12 N ATOM 706 CA LEU A 494 -1.677 10.850 7.619 1.00 52.31 C ATOM 707 C LEU A 494 -2.908 11.765 7.511 1.00 13.05 C ATOM 708 O LEU A 494 -3.529 11.878 6.446 1.00 72.43 O ATOM 709 CB LEU A 494 -0.385 11.521 7.103 1.00 40.33 C ATOM 710 CG LEU A 494 0.979 10.870 7.485 1.00 42.54 C ATOM 711 CD1 LEU A 494 1.141 10.773 8.994 1.00 43.35 C ATOM 712 CD2 LEU A 494 1.192 9.509 6.825 1.00 72.21 C ATOM 0 H LEU A 494 -1.292 9.382 6.207 1.00 33.12 H new ATOM 0 HA LEU A 494 -1.510 10.665 8.680 1.00 52.31 H new ATOM 0 HB2 LEU A 494 -0.442 11.564 6.015 1.00 40.33 H new ATOM 0 HB3 LEU A 494 -0.376 12.550 7.462 1.00 40.33 H new ATOM 0 HG LEU A 494 1.754 11.531 7.097 1.00 42.54 H new ATOM 0 HD11 LEU A 494 2.102 10.315 9.228 1.00 43.35 H new ATOM 0 HD12 LEU A 494 1.099 11.771 9.429 1.00 43.35 H new ATOM 0 HD13 LEU A 494 0.338 10.163 9.408 1.00 43.35 H new ATOM 0 HD21 LEU A 494 2.158 9.105 7.128 1.00 72.21 H new ATOM 0 HD22 LEU A 494 0.400 8.827 7.134 1.00 72.21 H new ATOM 0 HD23 LEU A 494 1.170 9.623 5.741 1.00 72.21 H new ATOM 724 N PRO A 495 -3.230 12.452 8.609 1.00 2.20 N ATOM 725 CA PRO A 495 -4.518 13.175 8.813 1.00 12.31 C ATOM 726 C PRO A 495 -4.714 14.467 8.038 1.00 2.14 C ATOM 727 O PRO A 495 -5.604 15.244 8.391 1.00 13.11 O ATOM 728 CB PRO A 495 -4.428 13.531 10.291 1.00 15.42 C ATOM 729 CG PRO A 495 -2.985 13.757 10.490 1.00 3.11 C ATOM 730 CD PRO A 495 -2.345 12.617 9.790 1.00 70.11 C ATOM 0 HA PRO A 495 -5.345 12.551 8.476 1.00 12.31 H new ATOM 0 HB2 PRO A 495 -5.012 14.420 10.528 1.00 15.42 H new ATOM 0 HB3 PRO A 495 -4.801 12.726 10.924 1.00 15.42 H new ATOM 0 HG2 PRO A 495 -2.669 14.712 10.070 1.00 3.11 H new ATOM 0 HG3 PRO A 495 -2.725 13.772 11.549 1.00 3.11 H new ATOM 0 HD2 PRO A 495 -1.317 12.838 9.503 1.00 70.11 H new ATOM 0 HD3 PRO A 495 -2.317 11.720 10.409 1.00 70.11 H new ATOM 738 N ARG A 496 -3.950 14.719 7.007 1.00 74.14 N ATOM 739 CA ARG A 496 -4.079 16.023 6.359 1.00 70.22 C ATOM 740 C ARG A 496 -3.546 16.092 4.920 1.00 45.02 C ATOM 741 O ARG A 496 -3.539 17.164 4.305 1.00 60.33 O ATOM 742 CB ARG A 496 -3.410 17.050 7.224 1.00 31.43 C ATOM 743 CG ARG A 496 -1.978 16.688 7.535 1.00 21.35 C ATOM 744 CD ARG A 496 -1.324 17.644 8.504 1.00 34.31 C ATOM 745 NE ARG A 496 -1.917 17.570 9.841 1.00 41.22 N ATOM 746 CZ ARG A 496 -1.209 17.464 10.980 1.00 43.05 C ATOM 747 NH1 ARG A 496 0.121 17.398 10.950 1.00 60.02 N ATOM 748 NH2 ARG A 496 -1.837 17.410 12.141 1.00 35.42 N ATOM 0 H ARG A 496 -3.261 14.083 6.605 1.00 74.14 H new ATOM 0 HA ARG A 496 -5.146 16.220 6.258 1.00 70.22 H new ATOM 0 HB2 ARG A 496 -3.438 18.018 6.724 1.00 31.43 H new ATOM 0 HB3 ARG A 496 -3.967 17.157 8.155 1.00 31.43 H new ATOM 0 HG2 ARG A 496 -1.946 15.681 7.950 1.00 21.35 H new ATOM 0 HG3 ARG A 496 -1.404 16.670 6.608 1.00 21.35 H new ATOM 0 HD2 ARG A 496 -0.259 17.421 8.568 1.00 34.31 H new ATOM 0 HD3 ARG A 496 -1.414 18.662 8.124 1.00 34.31 H new ATOM 0 HE ARG A 496 -2.934 17.601 9.913 1.00 41.22 H new ATOM 0 HH11 ARG A 496 0.613 17.428 10.057 1.00 60.02 H new ATOM 0 HH12 ARG A 496 0.647 17.318 11.820 1.00 60.02 H new ATOM 0 HH21 ARG A 496 -2.856 17.449 12.172 1.00 35.42 H new ATOM 0 HH22 ARG A 496 -1.303 17.330 13.006 1.00 35.42 H new ATOM 762 N GLY A 497 -3.112 14.989 4.394 1.00 74.04 N ATOM 763 CA GLY A 497 -2.616 14.989 3.017 1.00 51.12 C ATOM 764 C GLY A 497 -3.643 14.498 1.988 1.00 1.43 C ATOM 765 O GLY A 497 -4.839 14.567 2.215 1.00 4.42 O ATOM 0 H GLY A 497 -3.083 14.087 4.869 1.00 74.04 H new ATOM 0 HA2 GLY A 497 -2.306 16.000 2.753 1.00 51.12 H new ATOM 0 HA3 GLY A 497 -1.729 14.358 2.960 1.00 51.12 H new ATOM 769 N ALA A 498 -3.150 13.988 0.866 1.00 31.24 N ATOM 770 CA ALA A 498 -3.969 13.537 -0.259 1.00 44.04 C ATOM 771 C ALA A 498 -4.948 12.460 0.160 1.00 5.11 C ATOM 772 O ALA A 498 -6.119 12.476 -0.226 1.00 42.55 O ATOM 773 CB ALA A 498 -3.090 12.976 -1.373 1.00 12.13 C ATOM 0 H ALA A 498 -2.149 13.873 0.707 1.00 31.24 H new ATOM 0 HA ALA A 498 -4.521 14.406 -0.615 1.00 44.04 H new ATOM 0 HB1 ALA A 498 -3.718 12.646 -2.201 1.00 12.13 H new ATOM 0 HB2 ALA A 498 -2.407 13.750 -1.722 1.00 12.13 H new ATOM 0 HB3 ALA A 498 -2.516 12.131 -0.993 1.00 12.13 H new ATOM 779 N ALA A 499 -4.451 11.523 0.975 1.00 65.23 N ATOM 780 CA ALA A 499 -5.229 10.376 1.406 1.00 52.14 C ATOM 781 C ALA A 499 -6.504 10.769 2.127 1.00 64.32 C ATOM 782 O ALA A 499 -7.525 10.128 1.961 1.00 10.04 O ATOM 783 CB ALA A 499 -4.385 9.442 2.249 1.00 5.52 C ATOM 0 H ALA A 499 -3.502 11.546 1.348 1.00 65.23 H new ATOM 0 HA ALA A 499 -5.538 9.845 0.505 1.00 52.14 H new ATOM 0 HB1 ALA A 499 -4.988 8.589 2.561 1.00 5.52 H new ATOM 0 HB2 ALA A 499 -3.535 9.091 1.663 1.00 5.52 H new ATOM 0 HB3 ALA A 499 -4.024 9.973 3.130 1.00 5.52 H new ATOM 789 N ILE A 500 -6.442 11.796 2.937 1.00 3.42 N ATOM 790 CA ILE A 500 -7.620 12.271 3.626 1.00 34.14 C ATOM 791 C ILE A 500 -8.497 13.161 2.734 1.00 53.52 C ATOM 792 O ILE A 500 -9.719 13.158 2.862 1.00 14.13 O ATOM 793 CB ILE A 500 -7.279 12.963 4.945 1.00 3.44 C ATOM 794 CG1 ILE A 500 -8.533 13.357 5.699 1.00 32.20 C ATOM 795 CG2 ILE A 500 -6.396 14.161 4.724 1.00 62.13 C ATOM 796 CD1 ILE A 500 -8.243 14.030 6.994 1.00 1.34 C ATOM 0 H ILE A 500 -5.590 12.320 3.137 1.00 3.42 H new ATOM 0 HA ILE A 500 -8.207 11.386 3.871 1.00 34.14 H new ATOM 0 HB ILE A 500 -6.728 12.246 5.554 1.00 3.44 H new ATOM 0 HG12 ILE A 500 -9.132 14.022 5.076 1.00 32.20 H new ATOM 0 HG13 ILE A 500 -9.134 12.467 5.885 1.00 32.20 H new ATOM 0 HG21 ILE A 500 -6.172 14.630 5.682 1.00 62.13 H new ATOM 0 HG22 ILE A 500 -5.467 13.846 4.249 1.00 62.13 H new ATOM 0 HG23 ILE A 500 -6.908 14.877 4.081 1.00 62.13 H new ATOM 0 HD11 ILE A 500 -9.180 14.288 7.488 1.00 1.34 H new ATOM 0 HD12 ILE A 500 -7.669 13.358 7.633 1.00 1.34 H new ATOM 0 HD13 ILE A 500 -7.667 14.937 6.812 1.00 1.34 H new ATOM 808 N GLN A 501 -7.867 13.907 1.812 1.00 24.24 N ATOM 809 CA GLN A 501 -8.604 14.808 0.910 1.00 35.11 C ATOM 810 C GLN A 501 -9.618 14.041 0.091 1.00 12.13 C ATOM 811 O GLN A 501 -10.759 14.495 -0.104 1.00 5.54 O ATOM 812 CB GLN A 501 -7.660 15.613 0.010 1.00 63.44 C ATOM 813 CG GLN A 501 -6.754 16.567 0.774 1.00 31.22 C ATOM 814 CD GLN A 501 -7.533 17.575 1.605 1.00 43.50 C ATOM 815 OE1 GLN A 501 -8.643 17.963 1.253 1.00 33.33 O ATOM 816 NE2 GLN A 501 -6.963 17.993 2.712 1.00 0.00 N ATOM 0 H GLN A 501 -6.857 13.905 1.672 1.00 24.24 H new ATOM 0 HA GLN A 501 -9.141 15.524 1.532 1.00 35.11 H new ATOM 0 HB2 GLN A 501 -7.043 14.922 -0.565 1.00 63.44 H new ATOM 0 HB3 GLN A 501 -8.252 16.183 -0.706 1.00 63.44 H new ATOM 0 HG2 GLN A 501 -6.097 15.993 1.428 1.00 31.22 H new ATOM 0 HG3 GLN A 501 -6.116 17.099 0.069 1.00 31.22 H new ATOM 0 HE21 GLN A 501 -6.039 17.648 2.972 1.00 0.00 H new ATOM 0 HE22 GLN A 501 -7.444 18.663 3.312 1.00 0.00 H new ATOM 825 N ASP A 502 -9.218 12.889 -0.386 1.00 34.43 N ATOM 826 CA ASP A 502 -10.151 12.006 -1.052 1.00 23.21 C ATOM 827 C ASP A 502 -10.793 11.090 -0.060 1.00 63.02 C ATOM 828 O ASP A 502 -11.977 10.807 -0.148 1.00 0.13 O ATOM 829 CB ASP A 502 -9.518 11.219 -2.190 1.00 32.41 C ATOM 830 CG ASP A 502 -9.226 12.073 -3.390 1.00 72.23 C ATOM 831 OD1 ASP A 502 -10.151 12.277 -4.224 1.00 35.13 O ATOM 832 OD2 ASP A 502 -8.109 12.559 -3.528 1.00 73.51 O ATOM 0 H ASP A 502 -8.261 12.540 -0.328 1.00 34.43 H new ATOM 0 HA ASP A 502 -10.916 12.635 -1.507 1.00 23.21 H new ATOM 0 HB2 ASP A 502 -8.592 10.762 -1.840 1.00 32.41 H new ATOM 0 HB3 ASP A 502 -10.185 10.407 -2.480 1.00 32.41 H new ATOM 837 N GLY A 503 -10.010 10.609 0.895 1.00 32.54 N ATOM 838 CA GLY A 503 -10.556 9.808 1.960 1.00 2.51 C ATOM 839 C GLY A 503 -10.861 8.366 1.606 1.00 14.15 C ATOM 840 O GLY A 503 -10.986 7.523 2.493 1.00 74.30 O ATOM 0 H GLY A 503 -9.003 10.763 0.947 1.00 32.54 H new ATOM 0 HA2 GLY A 503 -9.854 9.818 2.794 1.00 2.51 H new ATOM 0 HA3 GLY A 503 -11.474 10.279 2.311 1.00 2.51 H new ATOM 844 N ARG A 504 -10.977 8.084 0.327 1.00 4.31 N ATOM 845 CA ARG A 504 -11.324 6.754 -0.160 1.00 72.14 C ATOM 846 C ARG A 504 -10.227 5.732 0.183 1.00 41.14 C ATOM 847 O ARG A 504 -10.484 4.529 0.292 1.00 53.02 O ATOM 848 CB ARG A 504 -11.590 6.822 -1.671 1.00 74.43 C ATOM 849 CG ARG A 504 -12.080 5.531 -2.307 1.00 73.15 C ATOM 850 CD ARG A 504 -12.345 5.735 -3.782 1.00 53.21 C ATOM 851 NE ARG A 504 -12.818 4.520 -4.443 1.00 61.43 N ATOM 852 CZ ARG A 504 -12.912 4.366 -5.767 1.00 45.13 C ATOM 853 NH1 ARG A 504 -12.511 5.338 -6.582 1.00 62.33 N ATOM 854 NH2 ARG A 504 -13.390 3.238 -6.273 1.00 50.21 N ATOM 0 H ARG A 504 -10.834 8.770 -0.414 1.00 4.31 H new ATOM 0 HA ARG A 504 -12.232 6.413 0.338 1.00 72.14 H new ATOM 0 HB2 ARG A 504 -12.328 7.602 -1.858 1.00 74.43 H new ATOM 0 HB3 ARG A 504 -10.671 7.127 -2.171 1.00 74.43 H new ATOM 0 HG2 ARG A 504 -11.336 4.746 -2.170 1.00 73.15 H new ATOM 0 HG3 ARG A 504 -12.991 5.197 -1.811 1.00 73.15 H new ATOM 0 HD2 ARG A 504 -13.086 6.524 -3.908 1.00 53.21 H new ATOM 0 HD3 ARG A 504 -11.431 6.076 -4.268 1.00 53.21 H new ATOM 0 HE ARG A 504 -13.095 3.736 -3.853 1.00 61.43 H new ATOM 0 HH11 ARG A 504 -12.131 6.203 -6.196 1.00 62.33 H new ATOM 0 HH12 ARG A 504 -12.583 5.219 -7.592 1.00 62.33 H new ATOM 0 HH21 ARG A 504 -13.687 2.486 -5.651 1.00 50.21 H new ATOM 0 HH22 ARG A 504 -13.461 3.122 -7.284 1.00 50.21 H new ATOM 868 N LEU A 505 -9.028 6.220 0.387 1.00 11.34 N ATOM 869 CA LEU A 505 -7.909 5.378 0.747 1.00 4.11 C ATOM 870 C LEU A 505 -7.793 5.324 2.260 1.00 43.52 C ATOM 871 O LEU A 505 -7.913 6.354 2.930 1.00 61.32 O ATOM 872 CB LEU A 505 -6.614 5.948 0.159 1.00 33.12 C ATOM 873 CG LEU A 505 -5.333 5.141 0.410 1.00 41.44 C ATOM 874 CD1 LEU A 505 -5.419 3.759 -0.224 1.00 40.13 C ATOM 875 CD2 LEU A 505 -4.128 5.896 -0.108 1.00 64.24 C ATOM 0 H LEU A 505 -8.798 7.211 0.309 1.00 11.34 H new ATOM 0 HA LEU A 505 -8.070 4.376 0.350 1.00 4.11 H new ATOM 0 HB2 LEU A 505 -6.746 6.052 -0.918 1.00 33.12 H new ATOM 0 HB3 LEU A 505 -6.469 6.951 0.561 1.00 33.12 H new ATOM 0 HG LEU A 505 -5.222 5.004 1.486 1.00 41.44 H new ATOM 0 HD11 LEU A 505 -4.497 3.211 -0.029 1.00 40.13 H new ATOM 0 HD12 LEU A 505 -6.261 3.215 0.203 1.00 40.13 H new ATOM 0 HD13 LEU A 505 -5.560 3.860 -1.300 1.00 40.13 H new ATOM 0 HD21 LEU A 505 -3.226 5.312 0.076 1.00 64.24 H new ATOM 0 HD22 LEU A 505 -4.238 6.066 -1.179 1.00 64.24 H new ATOM 0 HD23 LEU A 505 -4.051 6.855 0.405 1.00 64.24 H new ATOM 887 N LYS A 506 -7.579 4.145 2.800 1.00 20.03 N ATOM 888 CA LYS A 506 -7.385 4.004 4.222 1.00 55.15 C ATOM 889 C LYS A 506 -6.267 3.017 4.503 1.00 44.00 C ATOM 890 O LYS A 506 -5.794 2.337 3.593 1.00 32.00 O ATOM 891 CB LYS A 506 -8.666 3.617 5.004 1.00 74.30 C ATOM 892 CG LYS A 506 -9.278 2.236 4.680 1.00 74.31 C ATOM 893 CD LYS A 506 -9.969 2.173 3.319 1.00 51.24 C ATOM 894 CE LYS A 506 -11.188 3.082 3.287 1.00 14.22 C ATOM 895 NZ LYS A 506 -11.938 2.974 2.021 1.00 32.33 N ATOM 0 H LYS A 506 -7.535 3.272 2.275 1.00 20.03 H new ATOM 0 HA LYS A 506 -7.108 4.993 4.587 1.00 55.15 H new ATOM 0 HB2 LYS A 506 -8.438 3.648 6.069 1.00 74.30 H new ATOM 0 HB3 LYS A 506 -9.423 4.378 4.817 1.00 74.30 H new ATOM 0 HG2 LYS A 506 -8.491 1.483 4.713 1.00 74.31 H new ATOM 0 HG3 LYS A 506 -9.999 1.977 5.456 1.00 74.31 H new ATOM 0 HD2 LYS A 506 -9.269 2.469 2.537 1.00 51.24 H new ATOM 0 HD3 LYS A 506 -10.270 1.147 3.106 1.00 51.24 H new ATOM 0 HE2 LYS A 506 -11.847 2.831 4.119 1.00 14.22 H new ATOM 0 HE3 LYS A 506 -10.871 4.115 3.431 1.00 14.22 H new ATOM 0 HZ1 LYS A 506 -12.820 3.520 2.093 1.00 32.33 H new ATOM 0 HZ2 LYS A 506 -11.361 3.350 1.242 1.00 32.33 H new ATOM 0 HZ3 LYS A 506 -12.162 1.976 1.835 1.00 32.33 H new ATOM 909 N ALA A 507 -5.858 2.943 5.749 1.00 35.13 N ATOM 910 CA ALA A 507 -4.773 2.089 6.157 1.00 45.05 C ATOM 911 C ALA A 507 -5.280 0.695 6.475 1.00 53.51 C ATOM 912 O ALA A 507 -6.483 0.503 6.716 1.00 11.52 O ATOM 913 CB ALA A 507 -4.067 2.691 7.362 1.00 61.15 C ATOM 0 H ALA A 507 -6.274 3.479 6.511 1.00 35.13 H new ATOM 0 HA ALA A 507 -4.061 2.009 5.336 1.00 45.05 H new ATOM 0 HB1 ALA A 507 -3.247 2.040 7.666 1.00 61.15 H new ATOM 0 HB2 ALA A 507 -3.673 3.673 7.100 1.00 61.15 H new ATOM 0 HB3 ALA A 507 -4.774 2.792 8.185 1.00 61.15 H new ATOM 919 N GLY A 508 -4.390 -0.268 6.463 1.00 74.41 N ATOM 920 CA GLY A 508 -4.760 -1.634 6.788 1.00 43.25 C ATOM 921 C GLY A 508 -4.872 -2.523 5.568 1.00 51.12 C ATOM 922 O GLY A 508 -4.638 -3.730 5.650 1.00 43.10 O ATOM 0 H GLY A 508 -3.405 -0.137 6.233 1.00 74.41 H new ATOM 0 HA2 GLY A 508 -4.019 -2.053 7.469 1.00 43.25 H new ATOM 0 HA3 GLY A 508 -5.713 -1.630 7.317 1.00 43.25 H new ATOM 926 N ASP A 509 -5.219 -1.939 4.438 1.00 71.45 N ATOM 927 CA ASP A 509 -5.370 -2.708 3.207 1.00 42.14 C ATOM 928 C ASP A 509 -4.045 -2.981 2.549 1.00 71.32 C ATOM 929 O ASP A 509 -3.023 -2.318 2.844 1.00 62.24 O ATOM 930 CB ASP A 509 -6.346 -2.067 2.200 1.00 74.31 C ATOM 931 CG ASP A 509 -7.790 -2.113 2.645 1.00 74.15 C ATOM 932 OD1 ASP A 509 -8.452 -3.156 2.456 1.00 64.45 O ATOM 933 OD2 ASP A 509 -8.298 -1.109 3.179 1.00 12.23 O ATOM 0 H ASP A 509 -5.402 -0.940 4.341 1.00 71.45 H new ATOM 0 HA ASP A 509 -5.808 -3.657 3.515 1.00 42.14 H new ATOM 0 HB2 ASP A 509 -6.057 -1.029 2.037 1.00 74.31 H new ATOM 0 HB3 ASP A 509 -6.253 -2.577 1.241 1.00 74.31 H new ATOM 938 N ARG A 510 -4.054 -3.947 1.666 1.00 43.12 N ATOM 939 CA ARG A 510 -2.875 -4.360 0.966 1.00 11.22 C ATOM 940 C ARG A 510 -2.748 -3.560 -0.311 1.00 25.14 C ATOM 941 O ARG A 510 -3.686 -3.518 -1.115 1.00 23.02 O ATOM 942 CB ARG A 510 -2.993 -5.829 0.598 1.00 35.11 C ATOM 943 CG ARG A 510 -1.727 -6.433 0.032 1.00 0.11 C ATOM 944 CD ARG A 510 -2.019 -7.699 -0.736 1.00 41.12 C ATOM 945 NE ARG A 510 -2.876 -8.632 0.015 1.00 20.50 N ATOM 946 CZ ARG A 510 -3.351 -9.802 -0.446 1.00 62.35 C ATOM 947 NH1 ARG A 510 -2.964 -10.289 -1.633 1.00 62.52 N ATOM 948 NH2 ARG A 510 -4.198 -10.489 0.293 1.00 64.03 N ATOM 0 H ARG A 510 -4.892 -4.471 1.414 1.00 43.12 H new ATOM 0 HA ARG A 510 -2.005 -4.201 1.603 1.00 11.22 H new ATOM 0 HB2 ARG A 510 -3.285 -6.391 1.485 1.00 35.11 H new ATOM 0 HB3 ARG A 510 -3.795 -5.945 -0.131 1.00 35.11 H new ATOM 0 HG2 ARG A 510 -1.239 -5.712 -0.624 1.00 0.11 H new ATOM 0 HG3 ARG A 510 -1.031 -6.649 0.842 1.00 0.11 H new ATOM 0 HD2 ARG A 510 -2.504 -7.444 -1.678 1.00 41.12 H new ATOM 0 HD3 ARG A 510 -1.080 -8.194 -0.984 1.00 41.12 H new ATOM 0 HE ARG A 510 -3.131 -8.368 0.967 1.00 20.50 H new ATOM 0 HH11 ARG A 510 -2.297 -9.770 -2.204 1.00 62.52 H new ATOM 0 HH12 ARG A 510 -3.336 -11.179 -1.965 1.00 62.52 H new ATOM 0 HH21 ARG A 510 -4.486 -10.132 1.204 1.00 64.03 H new ATOM 0 HH22 ARG A 510 -4.566 -11.378 -0.046 1.00 64.03 H new ATOM 962 N LEU A 511 -1.614 -2.949 -0.509 1.00 24.03 N ATOM 963 CA LEU A 511 -1.385 -2.196 -1.699 1.00 53.23 C ATOM 964 C LEU A 511 -0.821 -3.170 -2.746 1.00 23.30 C ATOM 965 O LEU A 511 0.175 -3.852 -2.489 1.00 60.24 O ATOM 966 CB LEU A 511 -0.378 -1.064 -1.436 1.00 23.43 C ATOM 967 CG LEU A 511 -0.694 0.303 -2.095 1.00 1.21 C ATOM 968 CD1 LEU A 511 -0.987 0.179 -3.582 1.00 71.25 C ATOM 969 CD2 LEU A 511 -1.841 0.975 -1.382 1.00 50.31 C ATOM 0 H LEU A 511 -0.832 -2.961 0.146 1.00 24.03 H new ATOM 0 HA LEU A 511 -2.311 -1.739 -2.047 1.00 53.23 H new ATOM 0 HB2 LEU A 511 -0.304 -0.915 -0.359 1.00 23.43 H new ATOM 0 HB3 LEU A 511 0.603 -1.392 -1.781 1.00 23.43 H new ATOM 0 HG LEU A 511 0.199 0.920 -2.000 1.00 1.21 H new ATOM 0 HD11 LEU A 511 -1.202 1.165 -3.994 1.00 71.25 H new ATOM 0 HD12 LEU A 511 -0.121 -0.245 -4.089 1.00 71.25 H new ATOM 0 HD13 LEU A 511 -1.849 -0.472 -3.730 1.00 71.25 H new ATOM 0 HD21 LEU A 511 -2.052 1.934 -1.855 1.00 50.31 H new ATOM 0 HD22 LEU A 511 -2.726 0.341 -1.437 1.00 50.31 H new ATOM 0 HD23 LEU A 511 -1.575 1.137 -0.337 1.00 50.31 H new ATOM 981 N ILE A 512 -1.466 -3.265 -3.880 1.00 22.14 N ATOM 982 CA ILE A 512 -1.033 -4.176 -4.937 1.00 61.11 C ATOM 983 C ILE A 512 -0.233 -3.453 -5.986 1.00 21.10 C ATOM 984 O ILE A 512 0.839 -3.916 -6.402 1.00 62.44 O ATOM 985 CB ILE A 512 -2.236 -4.880 -5.606 1.00 44.43 C ATOM 986 CG1 ILE A 512 -2.949 -5.806 -4.642 1.00 50.11 C ATOM 987 CG2 ILE A 512 -1.827 -5.642 -6.861 1.00 5.02 C ATOM 988 CD1 ILE A 512 -2.098 -6.960 -4.156 1.00 44.20 C ATOM 0 H ILE A 512 -2.300 -2.723 -4.107 1.00 22.14 H new ATOM 0 HA ILE A 512 -0.403 -4.930 -4.465 1.00 61.11 H new ATOM 0 HB ILE A 512 -2.928 -4.092 -5.901 1.00 44.43 H new ATOM 0 HG12 ILE A 512 -3.286 -5.229 -3.781 1.00 50.11 H new ATOM 0 HG13 ILE A 512 -3.840 -6.204 -5.128 1.00 50.11 H new ATOM 0 HG21 ILE A 512 -2.703 -6.121 -7.298 1.00 5.02 H new ATOM 0 HG22 ILE A 512 -1.395 -4.949 -7.583 1.00 5.02 H new ATOM 0 HG23 ILE A 512 -1.090 -6.402 -6.601 1.00 5.02 H new ATOM 0 HD11 ILE A 512 -2.679 -7.577 -3.470 1.00 44.20 H new ATOM 0 HD12 ILE A 512 -1.782 -7.563 -5.007 1.00 44.20 H new ATOM 0 HD13 ILE A 512 -1.220 -6.572 -3.640 1.00 44.20 H new ATOM 1000 N GLU A 513 -0.748 -2.340 -6.421 1.00 51.12 N ATOM 1001 CA GLU A 513 -0.110 -1.566 -7.436 1.00 52.32 C ATOM 1002 C GLU A 513 -0.586 -0.136 -7.377 1.00 60.03 C ATOM 1003 O GLU A 513 -1.723 0.130 -7.015 1.00 2.05 O ATOM 1004 CB GLU A 513 -0.344 -2.201 -8.833 1.00 1.44 C ATOM 1005 CG GLU A 513 -1.794 -2.415 -9.205 1.00 1.42 C ATOM 1006 CD GLU A 513 -1.959 -3.113 -10.528 1.00 55.22 C ATOM 1007 OE1 GLU A 513 -1.847 -4.358 -10.577 1.00 32.40 O ATOM 1008 OE2 GLU A 513 -2.219 -2.441 -11.538 1.00 51.24 O ATOM 0 H GLU A 513 -1.624 -1.946 -6.079 1.00 51.12 H new ATOM 0 HA GLU A 513 0.966 -1.562 -7.260 1.00 52.32 H new ATOM 0 HB2 GLU A 513 0.118 -1.564 -9.587 1.00 1.44 H new ATOM 0 HB3 GLU A 513 0.170 -3.162 -8.869 1.00 1.44 H new ATOM 0 HG2 GLU A 513 -2.281 -3.002 -8.426 1.00 1.42 H new ATOM 0 HG3 GLU A 513 -2.301 -1.451 -9.242 1.00 1.42 H new ATOM 1015 N VAL A 514 0.282 0.765 -7.675 1.00 42.43 N ATOM 1016 CA VAL A 514 -0.042 2.142 -7.720 1.00 74.13 C ATOM 1017 C VAL A 514 0.327 2.711 -9.081 1.00 72.42 C ATOM 1018 O VAL A 514 1.433 2.491 -9.591 1.00 62.40 O ATOM 1019 CB VAL A 514 0.579 2.951 -6.533 1.00 22.12 C ATOM 1020 CG1 VAL A 514 2.049 2.736 -6.444 1.00 51.20 C ATOM 1021 CG2 VAL A 514 0.300 4.420 -6.677 1.00 1.11 C ATOM 0 H VAL A 514 1.256 0.559 -7.898 1.00 42.43 H new ATOM 0 HA VAL A 514 -1.119 2.243 -7.590 1.00 74.13 H new ATOM 0 HB VAL A 514 0.112 2.586 -5.618 1.00 22.12 H new ATOM 0 HG11 VAL A 514 2.451 3.311 -5.610 1.00 51.20 H new ATOM 0 HG12 VAL A 514 2.253 1.677 -6.286 1.00 51.20 H new ATOM 0 HG13 VAL A 514 2.521 3.062 -7.371 1.00 51.20 H new ATOM 0 HG21 VAL A 514 0.743 4.958 -5.839 1.00 1.11 H new ATOM 0 HG22 VAL A 514 0.732 4.783 -7.610 1.00 1.11 H new ATOM 0 HG23 VAL A 514 -0.777 4.587 -6.687 1.00 1.11 H new ATOM 1031 N ASN A 515 -0.646 3.365 -9.687 1.00 71.14 N ATOM 1032 CA ASN A 515 -0.549 3.967 -11.033 1.00 24.04 C ATOM 1033 C ASN A 515 -0.224 2.944 -12.129 1.00 31.04 C ATOM 1034 O ASN A 515 0.132 3.310 -13.249 1.00 54.02 O ATOM 1035 CB ASN A 515 0.400 5.184 -11.070 1.00 42.55 C ATOM 1036 CG ASN A 515 -0.158 6.385 -10.303 1.00 71.13 C ATOM 1037 OD1 ASN A 515 0.063 6.536 -9.122 1.00 61.22 O ATOM 1038 ND2 ASN A 515 -0.908 7.237 -10.982 1.00 53.44 N ATOM 0 H ASN A 515 -1.560 3.504 -9.255 1.00 71.14 H new ATOM 0 HA ASN A 515 -1.547 4.342 -11.259 1.00 24.04 H new ATOM 0 HB2 ASN A 515 1.364 4.902 -10.646 1.00 42.55 H new ATOM 0 HB3 ASN A 515 0.579 5.470 -12.106 1.00 42.55 H new ATOM 0 HD21 ASN A 515 -1.316 8.045 -10.511 1.00 53.44 H new ATOM 0 HD22 ASN A 515 -1.078 7.086 -11.976 1.00 53.44 H new ATOM 1045 N GLY A 516 -0.389 1.670 -11.812 1.00 33.44 N ATOM 1046 CA GLY A 516 -0.192 0.636 -12.796 1.00 63.33 C ATOM 1047 C GLY A 516 1.053 -0.189 -12.574 1.00 0.11 C ATOM 1048 O GLY A 516 1.259 -1.189 -13.257 1.00 51.51 O ATOM 0 H GLY A 516 -0.657 1.336 -10.886 1.00 33.44 H new ATOM 0 HA2 GLY A 516 -1.059 -0.024 -12.794 1.00 63.33 H new ATOM 0 HA3 GLY A 516 -0.142 1.093 -13.784 1.00 63.33 H new ATOM 1052 N VAL A 517 1.883 0.205 -11.639 1.00 4.43 N ATOM 1053 CA VAL A 517 3.109 -0.540 -11.372 1.00 60.42 C ATOM 1054 C VAL A 517 2.916 -1.482 -10.189 1.00 31.10 C ATOM 1055 O VAL A 517 2.497 -1.055 -9.112 1.00 41.12 O ATOM 1056 CB VAL A 517 4.314 0.403 -11.127 1.00 71.54 C ATOM 1057 CG1 VAL A 517 5.585 -0.390 -10.839 1.00 40.51 C ATOM 1058 CG2 VAL A 517 4.522 1.307 -12.327 1.00 52.44 C ATOM 0 H VAL A 517 1.743 1.027 -11.051 1.00 4.43 H new ATOM 0 HA VAL A 517 3.332 -1.132 -12.259 1.00 60.42 H new ATOM 0 HB VAL A 517 4.092 1.015 -10.253 1.00 71.54 H new ATOM 0 HG11 VAL A 517 6.413 0.298 -10.671 1.00 40.51 H new ATOM 0 HG12 VAL A 517 5.438 -1.004 -9.950 1.00 40.51 H new ATOM 0 HG13 VAL A 517 5.814 -1.032 -11.689 1.00 40.51 H new ATOM 0 HG21 VAL A 517 5.371 1.965 -12.144 1.00 52.44 H new ATOM 0 HG22 VAL A 517 4.718 0.700 -13.211 1.00 52.44 H new ATOM 0 HG23 VAL A 517 3.627 1.907 -12.490 1.00 52.44 H new ATOM 1068 N ASP A 518 3.237 -2.753 -10.408 1.00 2.11 N ATOM 1069 CA ASP A 518 3.047 -3.826 -9.423 1.00 12.42 C ATOM 1070 C ASP A 518 4.083 -3.762 -8.334 1.00 0.22 C ATOM 1071 O ASP A 518 5.262 -3.557 -8.603 1.00 73.14 O ATOM 1072 CB ASP A 518 3.080 -5.198 -10.108 1.00 33.41 C ATOM 1073 CG ASP A 518 3.031 -6.354 -9.127 1.00 42.14 C ATOM 1074 OD1 ASP A 518 1.927 -6.767 -8.730 1.00 54.21 O ATOM 1075 OD2 ASP A 518 4.110 -6.867 -8.749 1.00 65.31 O ATOM 0 H ASP A 518 3.643 -3.077 -11.286 1.00 2.11 H new ATOM 0 HA ASP A 518 2.068 -3.684 -8.964 1.00 12.42 H new ATOM 0 HB2 ASP A 518 2.236 -5.275 -10.794 1.00 33.41 H new ATOM 0 HB3 ASP A 518 3.987 -5.276 -10.708 1.00 33.41 H new ATOM 1080 N LEU A 519 3.640 -3.939 -7.112 1.00 34.13 N ATOM 1081 CA LEU A 519 4.513 -3.832 -5.953 1.00 53.53 C ATOM 1082 C LEU A 519 4.885 -5.195 -5.468 1.00 55.12 C ATOM 1083 O LEU A 519 5.905 -5.390 -4.821 1.00 43.43 O ATOM 1084 CB LEU A 519 3.754 -3.215 -4.822 1.00 53.41 C ATOM 1085 CG LEU A 519 2.861 -2.062 -5.141 1.00 0.22 C ATOM 1086 CD1 LEU A 519 2.207 -1.583 -3.891 1.00 33.44 C ATOM 1087 CD2 LEU A 519 3.587 -0.966 -5.870 1.00 34.12 C ATOM 0 H LEU A 519 2.670 -4.160 -6.887 1.00 34.13 H new ATOM 0 HA LEU A 519 5.387 -3.248 -6.243 1.00 53.53 H new ATOM 0 HB2 LEU A 519 3.147 -3.993 -4.360 1.00 53.41 H new ATOM 0 HB3 LEU A 519 4.474 -2.886 -4.073 1.00 53.41 H new ATOM 0 HG LEU A 519 2.084 -2.399 -5.828 1.00 0.22 H new ATOM 0 HD11 LEU A 519 1.554 -0.741 -4.121 1.00 33.44 H new ATOM 0 HD12 LEU A 519 1.618 -2.390 -3.456 1.00 33.44 H new ATOM 0 HD13 LEU A 519 2.970 -1.267 -3.179 1.00 33.44 H new ATOM 0 HD21 LEU A 519 2.896 -0.149 -6.080 1.00 34.12 H new ATOM 0 HD22 LEU A 519 4.406 -0.598 -5.252 1.00 34.12 H new ATOM 0 HD23 LEU A 519 3.986 -1.354 -6.807 1.00 34.12 H new ATOM 1099 N VAL A 520 4.048 -6.128 -5.794 1.00 52.15 N ATOM 1100 CA VAL A 520 4.115 -7.473 -5.286 1.00 34.12 C ATOM 1101 C VAL A 520 5.387 -8.193 -5.765 1.00 24.35 C ATOM 1102 O VAL A 520 5.883 -9.136 -5.116 1.00 33.44 O ATOM 1103 CB VAL A 520 2.823 -8.231 -5.688 1.00 20.13 C ATOM 1104 CG1 VAL A 520 2.788 -9.632 -5.115 1.00 50.01 C ATOM 1105 CG2 VAL A 520 1.595 -7.429 -5.236 1.00 3.12 C ATOM 0 H VAL A 520 3.273 -5.976 -6.440 1.00 52.15 H new ATOM 0 HA VAL A 520 4.177 -7.447 -4.198 1.00 34.12 H new ATOM 0 HB VAL A 520 2.812 -8.331 -6.773 1.00 20.13 H new ATOM 0 HG11 VAL A 520 1.866 -10.127 -5.421 1.00 50.01 H new ATOM 0 HG12 VAL A 520 3.644 -10.198 -5.484 1.00 50.01 H new ATOM 0 HG13 VAL A 520 2.829 -9.581 -4.027 1.00 50.01 H new ATOM 0 HG21 VAL A 520 0.688 -7.963 -5.519 1.00 3.12 H new ATOM 0 HG22 VAL A 520 1.620 -7.305 -4.153 1.00 3.12 H new ATOM 0 HG23 VAL A 520 1.604 -6.450 -5.714 1.00 3.12 H new ATOM 1115 N GLY A 521 5.915 -7.745 -6.874 1.00 52.40 N ATOM 1116 CA GLY A 521 7.144 -8.286 -7.378 1.00 54.11 C ATOM 1117 C GLY A 521 8.319 -7.337 -7.204 1.00 42.31 C ATOM 1118 O GLY A 521 9.321 -7.459 -7.915 1.00 22.10 O ATOM 0 H GLY A 521 5.509 -7.004 -7.445 1.00 52.40 H new ATOM 0 HA2 GLY A 521 7.361 -9.223 -6.866 1.00 54.11 H new ATOM 0 HA3 GLY A 521 7.026 -8.521 -8.436 1.00 54.11 H new ATOM 1122 N LYS A 522 8.209 -6.389 -6.277 1.00 75.10 N ATOM 1123 CA LYS A 522 9.295 -5.451 -6.024 1.00 55.51 C ATOM 1124 C LYS A 522 9.449 -5.112 -4.535 1.00 44.11 C ATOM 1125 O LYS A 522 8.697 -5.603 -3.694 1.00 3.42 O ATOM 1126 CB LYS A 522 9.182 -4.174 -6.870 1.00 34.05 C ATOM 1127 CG LYS A 522 7.893 -3.385 -6.730 1.00 51.45 C ATOM 1128 CD LYS A 522 7.975 -1.998 -7.403 1.00 44.25 C ATOM 1129 CE LYS A 522 8.128 -2.027 -8.944 1.00 4.42 C ATOM 1130 NZ LYS A 522 9.392 -2.652 -9.446 1.00 25.04 N ATOM 0 H LYS A 522 7.384 -6.252 -5.693 1.00 75.10 H new ATOM 0 HA LYS A 522 10.203 -5.967 -6.335 1.00 55.51 H new ATOM 0 HB2 LYS A 522 10.014 -3.518 -6.612 1.00 34.05 H new ATOM 0 HB3 LYS A 522 9.304 -4.446 -7.918 1.00 34.05 H new ATOM 0 HG2 LYS A 522 7.074 -3.952 -7.172 1.00 51.45 H new ATOM 0 HG3 LYS A 522 7.660 -3.259 -5.673 1.00 51.45 H new ATOM 0 HD2 LYS A 522 7.076 -1.435 -7.153 1.00 44.25 H new ATOM 0 HD3 LYS A 522 8.819 -1.454 -6.979 1.00 44.25 H new ATOM 0 HE2 LYS A 522 7.281 -2.567 -9.367 1.00 4.42 H new ATOM 0 HE3 LYS A 522 8.073 -1.005 -9.318 1.00 4.42 H new ATOM 0 HZ1 LYS A 522 9.736 -2.123 -10.273 1.00 25.04 H new ATOM 0 HZ2 LYS A 522 10.112 -2.629 -8.696 1.00 25.04 H new ATOM 0 HZ3 LYS A 522 9.207 -3.639 -9.718 1.00 25.04 H new ATOM 1144 N SER A 523 10.436 -4.284 -4.223 1.00 24.11 N ATOM 1145 CA SER A 523 10.720 -3.910 -2.851 1.00 43.41 C ATOM 1146 C SER A 523 10.049 -2.572 -2.469 1.00 74.34 C ATOM 1147 O SER A 523 9.691 -1.768 -3.340 1.00 14.43 O ATOM 1148 CB SER A 523 12.228 -3.803 -2.657 1.00 11.01 C ATOM 1149 OG SER A 523 12.889 -5.016 -3.015 1.00 23.43 O ATOM 0 H SER A 523 11.057 -3.857 -4.911 1.00 24.11 H new ATOM 0 HA SER A 523 10.311 -4.683 -2.200 1.00 43.41 H new ATOM 0 HB2 SER A 523 12.616 -2.984 -3.262 1.00 11.01 H new ATOM 0 HB3 SER A 523 12.446 -3.562 -1.616 1.00 11.01 H new ATOM 0 HG SER A 523 13.854 -4.914 -2.881 1.00 23.43 H new ATOM 1155 N GLN A 524 9.926 -2.350 -1.163 1.00 52.24 N ATOM 1156 CA GLN A 524 9.335 -1.140 -0.563 1.00 3.42 C ATOM 1157 C GLN A 524 9.921 0.151 -1.095 1.00 23.31 C ATOM 1158 O GLN A 524 9.189 1.061 -1.435 1.00 0.14 O ATOM 1159 CB GLN A 524 9.500 -1.196 0.946 1.00 54.22 C ATOM 1160 CG GLN A 524 8.472 -2.028 1.646 1.00 21.21 C ATOM 1161 CD GLN A 524 7.174 -1.286 1.777 1.00 31.44 C ATOM 1162 OE1 GLN A 524 7.160 -0.071 1.875 1.00 60.41 O ATOM 1163 NE2 GLN A 524 6.093 -1.985 1.784 1.00 74.12 N ATOM 0 H GLN A 524 10.242 -3.023 -0.465 1.00 52.24 H new ATOM 0 HA GLN A 524 8.281 -1.134 -0.839 1.00 3.42 H new ATOM 0 HB2 GLN A 524 10.489 -1.591 1.177 1.00 54.22 H new ATOM 0 HB3 GLN A 524 9.461 -0.181 1.342 1.00 54.22 H new ATOM 0 HG2 GLN A 524 8.311 -2.954 1.093 1.00 21.21 H new ATOM 0 HG3 GLN A 524 8.837 -2.306 2.635 1.00 21.21 H new ATOM 0 HE21 GLN A 524 6.142 -3.000 1.700 1.00 74.12 H new ATOM 0 HE22 GLN A 524 5.188 -1.523 1.874 1.00 74.12 H new ATOM 1172 N GLU A 525 11.228 0.227 -1.172 1.00 5.24 N ATOM 1173 CA GLU A 525 11.906 1.435 -1.651 1.00 65.44 C ATOM 1174 C GLU A 525 11.512 1.788 -3.078 1.00 74.23 C ATOM 1175 O GLU A 525 11.380 2.964 -3.426 1.00 33.40 O ATOM 1176 CB GLU A 525 13.384 1.275 -1.523 1.00 3.22 C ATOM 1177 CG GLU A 525 13.838 1.205 -0.092 1.00 61.41 C ATOM 1178 CD GLU A 525 15.269 0.826 0.011 1.00 1.34 C ATOM 1179 OE1 GLU A 525 16.141 1.708 -0.142 1.00 54.14 O ATOM 1180 OE2 GLU A 525 15.552 -0.363 0.217 1.00 4.43 O ATOM 0 H GLU A 525 11.857 -0.532 -0.910 1.00 5.24 H new ATOM 0 HA GLU A 525 11.585 2.268 -1.026 1.00 65.44 H new ATOM 0 HB2 GLU A 525 13.694 0.368 -2.043 1.00 3.22 H new ATOM 0 HB3 GLU A 525 13.880 2.111 -2.017 1.00 3.22 H new ATOM 0 HG2 GLU A 525 13.682 2.172 0.387 1.00 61.41 H new ATOM 0 HG3 GLU A 525 13.229 0.480 0.448 1.00 61.41 H new ATOM 1187 N GLU A 526 11.289 0.775 -3.879 1.00 50.33 N ATOM 1188 CA GLU A 526 10.851 0.971 -5.241 1.00 52.43 C ATOM 1189 C GLU A 526 9.450 1.549 -5.234 1.00 5.35 C ATOM 1190 O GLU A 526 9.127 2.450 -6.013 1.00 4.12 O ATOM 1191 CB GLU A 526 10.835 -0.346 -5.974 1.00 44.33 C ATOM 1192 CG GLU A 526 12.181 -1.014 -6.111 1.00 53.15 C ATOM 1193 CD GLU A 526 12.071 -2.316 -6.843 1.00 41.24 C ATOM 1194 OE1 GLU A 526 11.752 -2.303 -8.055 1.00 52.04 O ATOM 1195 OE2 GLU A 526 12.261 -3.380 -6.214 1.00 45.43 O ATOM 0 H GLU A 526 11.405 -0.202 -3.609 1.00 50.33 H new ATOM 0 HA GLU A 526 11.537 1.653 -5.742 1.00 52.43 H new ATOM 0 HB2 GLU A 526 10.160 -1.026 -5.455 1.00 44.33 H new ATOM 0 HB3 GLU A 526 10.422 -0.186 -6.970 1.00 44.33 H new ATOM 0 HG2 GLU A 526 12.865 -0.352 -6.642 1.00 53.15 H new ATOM 0 HG3 GLU A 526 12.607 -1.185 -5.122 1.00 53.15 H new ATOM 1202 N VAL A 527 8.631 1.041 -4.329 1.00 1.52 N ATOM 1203 CA VAL A 527 7.257 1.473 -4.204 1.00 1.21 C ATOM 1204 C VAL A 527 7.197 2.891 -3.644 1.00 34.23 C ATOM 1205 O VAL A 527 6.391 3.703 -4.088 1.00 51.41 O ATOM 1206 CB VAL A 527 6.429 0.540 -3.281 1.00 31.04 C ATOM 1207 CG1 VAL A 527 4.959 0.935 -3.294 1.00 10.44 C ATOM 1208 CG2 VAL A 527 6.617 -0.929 -3.642 1.00 74.21 C ATOM 0 H VAL A 527 8.903 0.318 -3.663 1.00 1.52 H new ATOM 0 HA VAL A 527 6.826 1.439 -5.204 1.00 1.21 H new ATOM 0 HB VAL A 527 6.803 0.665 -2.265 1.00 31.04 H new ATOM 0 HG11 VAL A 527 4.397 0.268 -2.640 1.00 10.44 H new ATOM 0 HG12 VAL A 527 4.855 1.961 -2.941 1.00 10.44 H new ATOM 0 HG13 VAL A 527 4.571 0.859 -4.310 1.00 10.44 H new ATOM 0 HG21 VAL A 527 6.020 -1.548 -2.972 1.00 74.21 H new ATOM 0 HG22 VAL A 527 6.297 -1.095 -4.671 1.00 74.21 H new ATOM 0 HG23 VAL A 527 7.669 -1.196 -3.542 1.00 74.21 H new ATOM 1218 N VAL A 528 8.065 3.198 -2.680 1.00 2.42 N ATOM 1219 CA VAL A 528 8.051 4.530 -2.096 1.00 65.20 C ATOM 1220 C VAL A 528 8.468 5.558 -3.120 1.00 23.23 C ATOM 1221 O VAL A 528 7.890 6.607 -3.191 1.00 64.14 O ATOM 1222 CB VAL A 528 8.884 4.696 -0.783 1.00 10.20 C ATOM 1223 CG1 VAL A 528 8.496 3.689 0.285 1.00 60.54 C ATOM 1224 CG2 VAL A 528 10.383 4.730 -1.015 1.00 30.02 C ATOM 0 H VAL A 528 8.765 2.561 -2.299 1.00 2.42 H new ATOM 0 HA VAL A 528 7.017 4.693 -1.793 1.00 65.20 H new ATOM 0 HB VAL A 528 8.620 5.682 -0.401 1.00 10.20 H new ATOM 0 HG11 VAL A 528 9.105 3.849 1.175 1.00 60.54 H new ATOM 0 HG12 VAL A 528 7.443 3.815 0.538 1.00 60.54 H new ATOM 0 HG13 VAL A 528 8.661 2.679 -0.090 1.00 60.54 H new ATOM 0 HG21 VAL A 528 10.896 4.847 -0.061 1.00 30.02 H new ATOM 0 HG22 VAL A 528 10.700 3.799 -1.485 1.00 30.02 H new ATOM 0 HG23 VAL A 528 10.632 5.568 -1.666 1.00 30.02 H new ATOM 1234 N SER A 529 9.457 5.221 -3.927 1.00 22.01 N ATOM 1235 CA SER A 529 9.920 6.087 -5.007 1.00 73.24 C ATOM 1236 C SER A 529 8.784 6.312 -6.022 1.00 73.11 C ATOM 1237 O SER A 529 8.580 7.428 -6.532 1.00 71.13 O ATOM 1238 CB SER A 529 11.152 5.465 -5.690 1.00 52.54 C ATOM 1239 OG SER A 529 11.632 6.277 -6.753 1.00 74.32 O ATOM 0 H SER A 529 9.965 4.340 -3.856 1.00 22.01 H new ATOM 0 HA SER A 529 10.209 7.054 -4.595 1.00 73.24 H new ATOM 0 HB2 SER A 529 11.944 5.325 -4.954 1.00 52.54 H new ATOM 0 HB3 SER A 529 10.895 4.478 -6.074 1.00 52.54 H new ATOM 0 HG SER A 529 12.415 5.852 -7.162 1.00 74.32 H new ATOM 1245 N LEU A 530 8.032 5.261 -6.271 1.00 43.10 N ATOM 1246 CA LEU A 530 6.899 5.281 -7.141 1.00 13.52 C ATOM 1247 C LEU A 530 5.817 6.223 -6.550 1.00 4.43 C ATOM 1248 O LEU A 530 5.177 6.997 -7.275 1.00 12.34 O ATOM 1249 CB LEU A 530 6.426 3.836 -7.270 1.00 62.52 C ATOM 1250 CG LEU A 530 5.189 3.548 -8.067 1.00 35.14 C ATOM 1251 CD1 LEU A 530 5.337 4.010 -9.503 1.00 63.50 C ATOM 1252 CD2 LEU A 530 4.895 2.067 -8.019 1.00 73.41 C ATOM 0 H LEU A 530 8.206 4.346 -5.856 1.00 43.10 H new ATOM 0 HA LEU A 530 7.134 5.668 -8.132 1.00 13.52 H new ATOM 0 HB2 LEU A 530 7.242 3.260 -7.707 1.00 62.52 H new ATOM 0 HB3 LEU A 530 6.267 3.450 -6.263 1.00 62.52 H new ATOM 0 HG LEU A 530 4.358 4.100 -7.628 1.00 35.14 H new ATOM 0 HD11 LEU A 530 4.423 3.786 -10.053 1.00 63.50 H new ATOM 0 HD12 LEU A 530 5.519 5.085 -9.523 1.00 63.50 H new ATOM 0 HD13 LEU A 530 6.176 3.492 -9.967 1.00 63.50 H new ATOM 0 HD21 LEU A 530 3.996 1.856 -8.598 1.00 73.41 H new ATOM 0 HD22 LEU A 530 5.736 1.515 -8.440 1.00 73.41 H new ATOM 0 HD23 LEU A 530 4.741 1.760 -6.985 1.00 73.41 H new ATOM 1264 N LEU A 531 5.662 6.166 -5.230 1.00 75.33 N ATOM 1265 CA LEU A 531 4.795 7.062 -4.487 1.00 43.34 C ATOM 1266 C LEU A 531 5.314 8.498 -4.532 1.00 64.31 C ATOM 1267 O LEU A 531 4.560 9.438 -4.776 1.00 14.02 O ATOM 1268 CB LEU A 531 4.622 6.538 -3.017 1.00 13.54 C ATOM 1269 CG LEU A 531 4.025 7.508 -1.971 1.00 60.44 C ATOM 1270 CD1 LEU A 531 3.328 6.737 -0.859 1.00 43.21 C ATOM 1271 CD2 LEU A 531 5.128 8.341 -1.320 1.00 10.34 C ATOM 0 H LEU A 531 6.144 5.485 -4.643 1.00 75.33 H new ATOM 0 HA LEU A 531 3.811 7.075 -4.957 1.00 43.34 H new ATOM 0 HB2 LEU A 531 3.990 5.651 -3.050 1.00 13.54 H new ATOM 0 HB3 LEU A 531 5.600 6.219 -2.658 1.00 13.54 H new ATOM 0 HG LEU A 531 3.316 8.150 -2.495 1.00 60.44 H new ATOM 0 HD11 LEU A 531 2.915 7.438 -0.134 1.00 43.21 H new ATOM 0 HD12 LEU A 531 2.523 6.136 -1.282 1.00 43.21 H new ATOM 0 HD13 LEU A 531 4.046 6.084 -0.364 1.00 43.21 H new ATOM 0 HD21 LEU A 531 4.688 9.017 -0.587 1.00 10.34 H new ATOM 0 HD22 LEU A 531 5.838 7.680 -0.824 1.00 10.34 H new ATOM 0 HD23 LEU A 531 5.645 8.921 -2.084 1.00 10.34 H new ATOM 1283 N ARG A 532 6.610 8.654 -4.323 1.00 64.30 N ATOM 1284 CA ARG A 532 7.238 9.967 -4.277 1.00 62.34 C ATOM 1285 C ARG A 532 7.099 10.685 -5.615 1.00 12.23 C ATOM 1286 O ARG A 532 6.980 11.902 -5.664 1.00 51.31 O ATOM 1287 CB ARG A 532 8.729 9.877 -3.890 1.00 25.11 C ATOM 1288 CG ARG A 532 9.025 9.261 -2.520 1.00 51.41 C ATOM 1289 CD ARG A 532 8.402 10.045 -1.389 1.00 1.01 C ATOM 1290 NE ARG A 532 8.833 11.447 -1.378 1.00 32.45 N ATOM 1291 CZ ARG A 532 8.346 12.389 -0.564 1.00 64.05 C ATOM 1292 NH1 ARG A 532 7.403 12.087 0.328 1.00 20.11 N ATOM 1293 NH2 ARG A 532 8.796 13.628 -0.651 1.00 21.43 N ATOM 0 H ARG A 532 7.256 7.878 -4.181 1.00 64.30 H new ATOM 0 HA ARG A 532 6.719 10.539 -3.508 1.00 62.34 H new ATOM 0 HB2 ARG A 532 9.248 9.293 -4.650 1.00 25.11 H new ATOM 0 HB3 ARG A 532 9.153 10.881 -3.915 1.00 25.11 H new ATOM 0 HG2 ARG A 532 8.652 8.237 -2.497 1.00 51.41 H new ATOM 0 HG3 ARG A 532 10.104 9.211 -2.373 1.00 51.41 H new ATOM 0 HD2 ARG A 532 7.316 10.002 -1.475 1.00 1.01 H new ATOM 0 HD3 ARG A 532 8.665 9.579 -0.439 1.00 1.01 H new ATOM 0 HE ARG A 532 9.558 11.724 -2.040 1.00 32.45 H new ATOM 0 HH11 ARG A 532 7.049 11.133 0.392 1.00 20.11 H new ATOM 0 HH12 ARG A 532 7.035 12.810 0.946 1.00 20.11 H new ATOM 0 HH21 ARG A 532 9.513 13.863 -1.338 1.00 21.43 H new ATOM 0 HH22 ARG A 532 8.427 14.349 -0.032 1.00 21.43 H new ATOM 1307 N SER A 533 7.109 9.918 -6.690 1.00 43.52 N ATOM 1308 CA SER A 533 6.966 10.461 -8.026 1.00 34.35 C ATOM 1309 C SER A 533 5.546 11.016 -8.235 1.00 4.53 C ATOM 1310 O SER A 533 5.344 11.992 -8.979 1.00 63.11 O ATOM 1311 CB SER A 533 7.263 9.369 -9.056 1.00 4.40 C ATOM 1312 OG SER A 533 8.568 8.815 -8.852 1.00 72.32 O ATOM 0 H SER A 533 7.216 8.904 -6.661 1.00 43.52 H new ATOM 0 HA SER A 533 7.675 11.279 -8.153 1.00 34.35 H new ATOM 0 HB2 SER A 533 6.514 8.581 -8.983 1.00 4.40 H new ATOM 0 HB3 SER A 533 7.193 9.783 -10.062 1.00 4.40 H new ATOM 0 HG SER A 533 8.582 8.311 -8.011 1.00 72.32 H new ATOM 1318 N THR A 534 4.584 10.398 -7.544 1.00 55.24 N ATOM 1319 CA THR A 534 3.180 10.752 -7.623 1.00 33.03 C ATOM 1320 C THR A 534 2.598 10.440 -9.013 1.00 61.14 C ATOM 1321 O THR A 534 2.093 9.337 -9.234 1.00 33.14 O ATOM 1322 CB THR A 534 2.933 12.235 -7.206 1.00 3.23 C ATOM 1323 OG1 THR A 534 3.433 12.430 -5.870 1.00 74.35 O ATOM 1324 CG2 THR A 534 1.443 12.597 -7.263 1.00 21.12 C ATOM 0 H THR A 534 4.771 9.625 -6.905 1.00 55.24 H new ATOM 0 HA THR A 534 2.647 10.130 -6.904 1.00 33.03 H new ATOM 0 HB THR A 534 3.456 12.886 -7.907 1.00 3.23 H new ATOM 0 HG1 THR A 534 3.285 13.360 -5.598 1.00 74.35 H new ATOM 0 HG21 THR A 534 1.310 13.637 -6.966 1.00 21.12 H new ATOM 0 HG22 THR A 534 1.074 12.460 -8.279 1.00 21.12 H new ATOM 0 HG23 THR A 534 0.886 11.952 -6.584 1.00 21.12 H new ATOM 1332 N LYS A 535 2.729 11.395 -9.937 1.00 63.01 N ATOM 1333 CA LYS A 535 2.248 11.310 -11.311 1.00 24.10 C ATOM 1334 C LYS A 535 2.236 12.748 -11.819 1.00 70.14 C ATOM 1335 O LYS A 535 2.115 13.676 -11.008 1.00 4.22 O ATOM 1336 CB LYS A 535 0.796 10.768 -11.364 1.00 62.31 C ATOM 1337 CG LYS A 535 0.349 10.286 -12.694 1.00 40.24 C ATOM 1338 CD LYS A 535 1.117 9.028 -13.057 1.00 13.41 C ATOM 1339 CE LYS A 535 0.606 8.403 -14.321 1.00 74.05 C ATOM 1340 NZ LYS A 535 0.819 9.247 -15.521 1.00 35.14 N ATOM 0 H LYS A 535 3.192 12.282 -9.737 1.00 63.01 H new ATOM 0 HA LYS A 535 2.877 10.643 -11.900 1.00 24.10 H new ATOM 0 HB2 LYS A 535 0.704 9.950 -10.649 1.00 62.31 H new ATOM 0 HB3 LYS A 535 0.119 11.556 -11.035 1.00 62.31 H new ATOM 0 HG2 LYS A 535 -0.721 10.080 -12.678 1.00 40.24 H new ATOM 0 HG3 LYS A 535 0.514 11.057 -13.447 1.00 40.24 H new ATOM 0 HD2 LYS A 535 2.174 9.269 -13.173 1.00 13.41 H new ATOM 0 HD3 LYS A 535 1.042 8.309 -12.241 1.00 13.41 H new ATOM 0 HE2 LYS A 535 1.100 7.443 -14.469 1.00 74.05 H new ATOM 0 HE3 LYS A 535 -0.459 8.200 -14.213 1.00 74.05 H new ATOM 0 HZ1 LYS A 535 0.971 8.639 -16.351 1.00 35.14 H new ATOM 0 HZ2 LYS A 535 -0.018 9.844 -15.678 1.00 35.14 H new ATOM 0 HZ3 LYS A 535 1.653 9.851 -15.377 1.00 35.14 H new ATOM 1354 N MET A 536 2.348 12.957 -13.118 1.00 4.45 N ATOM 1355 CA MET A 536 2.301 14.326 -13.665 1.00 25.13 C ATOM 1356 C MET A 536 0.905 14.923 -13.565 1.00 21.21 C ATOM 1357 O MET A 536 0.736 16.133 -13.597 1.00 61.24 O ATOM 1358 CB MET A 536 2.799 14.399 -15.108 1.00 43.21 C ATOM 1359 CG MET A 536 4.280 14.114 -15.288 1.00 22.15 C ATOM 1360 SD MET A 536 4.814 14.267 -17.012 1.00 4.20 S ATOM 1361 CE MET A 536 4.386 15.985 -17.348 1.00 23.41 C ATOM 0 H MET A 536 2.470 12.221 -13.813 1.00 4.45 H new ATOM 0 HA MET A 536 2.979 14.917 -13.050 1.00 25.13 H new ATOM 0 HB2 MET A 536 2.231 13.689 -15.709 1.00 43.21 H new ATOM 0 HB3 MET A 536 2.585 15.393 -15.501 1.00 43.21 H new ATOM 0 HG2 MET A 536 4.856 14.803 -14.670 1.00 22.15 H new ATOM 0 HG3 MET A 536 4.498 13.107 -14.932 1.00 22.15 H new ATOM 0 HE1 MET A 536 4.991 16.356 -18.176 1.00 23.41 H new ATOM 0 HE2 MET A 536 3.330 16.052 -17.612 1.00 23.41 H new ATOM 0 HE3 MET A 536 4.577 16.588 -16.460 1.00 23.41 H new ATOM 1371 N GLU A 537 -0.086 14.067 -13.440 1.00 55.14 N ATOM 1372 CA GLU A 537 -1.469 14.508 -13.304 1.00 74.15 C ATOM 1373 C GLU A 537 -1.782 14.775 -11.842 1.00 21.41 C ATOM 1374 O GLU A 537 -2.803 15.370 -11.505 1.00 12.41 O ATOM 1375 CB GLU A 537 -2.461 13.459 -13.845 1.00 14.42 C ATOM 1376 CG GLU A 537 -2.317 13.090 -15.323 1.00 72.33 C ATOM 1377 CD GLU A 537 -1.040 12.354 -15.632 1.00 65.52 C ATOM 1378 OE1 GLU A 537 -0.971 11.157 -15.360 1.00 3.32 O ATOM 1379 OE2 GLU A 537 -0.093 12.962 -16.143 1.00 52.45 O ATOM 0 H GLU A 537 0.035 13.054 -13.429 1.00 55.14 H new ATOM 0 HA GLU A 537 -1.581 15.420 -13.890 1.00 74.15 H new ATOM 0 HB2 GLU A 537 -2.354 12.550 -13.253 1.00 14.42 H new ATOM 0 HB3 GLU A 537 -3.473 13.829 -13.682 1.00 14.42 H new ATOM 0 HG2 GLU A 537 -3.165 12.473 -15.620 1.00 72.33 H new ATOM 0 HG3 GLU A 537 -2.358 13.999 -15.923 1.00 72.33 H new ATOM 1386 N GLY A 538 -0.902 14.302 -10.979 1.00 65.42 N ATOM 1387 CA GLY A 538 -1.074 14.466 -9.556 1.00 54.25 C ATOM 1388 C GLY A 538 -2.130 13.542 -8.983 1.00 61.20 C ATOM 1389 O GLY A 538 -2.487 13.645 -7.809 1.00 63.23 O ATOM 0 H GLY A 538 -0.056 13.798 -11.246 1.00 65.42 H new ATOM 0 HA2 GLY A 538 -0.124 14.279 -9.056 1.00 54.25 H new ATOM 0 HA3 GLY A 538 -1.348 15.500 -9.344 1.00 54.25 H new ATOM 1393 N THR A 539 -2.638 12.660 -9.804 1.00 31.24 N ATOM 1394 CA THR A 539 -3.622 11.724 -9.369 1.00 61.43 C ATOM 1395 C THR A 539 -2.942 10.379 -9.213 1.00 21.13 C ATOM 1396 O THR A 539 -2.303 9.866 -10.147 1.00 50.45 O ATOM 1397 CB THR A 539 -4.730 11.589 -10.389 1.00 44.24 C ATOM 1398 OG1 THR A 539 -5.114 12.898 -10.858 1.00 44.25 O ATOM 1399 CG2 THR A 539 -5.946 10.935 -9.760 1.00 41.43 C ATOM 0 H THR A 539 -2.378 12.576 -10.787 1.00 31.24 H new ATOM 0 HA THR A 539 -4.057 12.067 -8.430 1.00 61.43 H new ATOM 0 HB THR A 539 -4.368 10.977 -11.215 1.00 44.24 H new ATOM 0 HG1 THR A 539 -5.831 12.811 -11.520 1.00 44.25 H new ATOM 0 HG21 THR A 539 -6.736 10.844 -10.505 1.00 41.43 H new ATOM 0 HG22 THR A 539 -5.677 9.944 -9.393 1.00 41.43 H new ATOM 0 HG23 THR A 539 -6.299 11.546 -8.929 1.00 41.43 H new ATOM 1407 N VAL A 540 -3.067 9.826 -8.071 1.00 11.43 N ATOM 1408 CA VAL A 540 -2.409 8.607 -7.748 1.00 64.53 C ATOM 1409 C VAL A 540 -3.414 7.509 -7.672 1.00 12.24 C ATOM 1410 O VAL A 540 -4.406 7.635 -6.991 1.00 52.33 O ATOM 1411 CB VAL A 540 -1.642 8.756 -6.420 1.00 72.15 C ATOM 1412 CG1 VAL A 540 -0.907 7.499 -6.049 1.00 32.51 C ATOM 1413 CG2 VAL A 540 -0.685 9.916 -6.515 1.00 13.30 C ATOM 0 H VAL A 540 -3.637 10.207 -7.316 1.00 11.43 H new ATOM 0 HA VAL A 540 -1.685 8.361 -8.525 1.00 64.53 H new ATOM 0 HB VAL A 540 -2.370 8.946 -5.632 1.00 72.15 H new ATOM 0 HG11 VAL A 540 -0.381 7.650 -5.106 1.00 32.51 H new ATOM 0 HG12 VAL A 540 -1.618 6.680 -5.940 1.00 32.51 H new ATOM 0 HG13 VAL A 540 -0.188 7.254 -6.831 1.00 32.51 H new ATOM 0 HG21 VAL A 540 -0.144 10.019 -5.574 1.00 13.30 H new ATOM 0 HG22 VAL A 540 0.024 9.738 -7.324 1.00 13.30 H new ATOM 0 HG23 VAL A 540 -1.242 10.831 -6.716 1.00 13.30 H new ATOM 1423 N SER A 541 -3.178 6.451 -8.388 1.00 21.10 N ATOM 1424 CA SER A 541 -4.108 5.376 -8.392 1.00 44.23 C ATOM 1425 C SER A 541 -3.589 4.270 -7.505 1.00 24.34 C ATOM 1426 O SER A 541 -2.607 3.634 -7.828 1.00 75.41 O ATOM 1427 CB SER A 541 -4.264 4.867 -9.820 1.00 30.10 C ATOM 1428 OG SER A 541 -4.539 5.950 -10.700 1.00 41.11 O ATOM 0 H SER A 541 -2.353 6.315 -8.972 1.00 21.10 H new ATOM 0 HA SER A 541 -5.075 5.711 -8.018 1.00 44.23 H new ATOM 0 HB2 SER A 541 -3.353 4.356 -10.133 1.00 30.10 H new ATOM 0 HB3 SER A 541 -5.071 4.136 -9.867 1.00 30.10 H new ATOM 0 HG SER A 541 -4.294 5.698 -11.615 1.00 41.11 H new ATOM 1434 N LEU A 542 -4.249 4.047 -6.416 1.00 50.55 N ATOM 1435 CA LEU A 542 -3.893 3.001 -5.507 1.00 43.14 C ATOM 1436 C LEU A 542 -4.797 1.841 -5.769 1.00 71.31 C ATOM 1437 O LEU A 542 -6.008 1.963 -5.667 1.00 33.41 O ATOM 1438 CB LEU A 542 -4.088 3.442 -4.029 1.00 13.14 C ATOM 1439 CG LEU A 542 -3.268 4.626 -3.520 1.00 45.23 C ATOM 1440 CD1 LEU A 542 -1.820 4.450 -3.857 1.00 21.33 C ATOM 1441 CD2 LEU A 542 -3.810 5.963 -4.009 1.00 14.44 C ATOM 0 H LEU A 542 -5.061 4.592 -6.127 1.00 50.55 H new ATOM 0 HA LEU A 542 -2.844 2.746 -5.657 1.00 43.14 H new ATOM 0 HB2 LEU A 542 -5.142 3.681 -3.888 1.00 13.14 H new ATOM 0 HB3 LEU A 542 -3.867 2.585 -3.393 1.00 13.14 H new ATOM 0 HG LEU A 542 -3.360 4.644 -2.434 1.00 45.23 H new ATOM 0 HD11 LEU A 542 -1.254 5.304 -3.486 1.00 21.33 H new ATOM 0 HD12 LEU A 542 -1.447 3.537 -3.393 1.00 21.33 H new ATOM 0 HD13 LEU A 542 -1.704 4.380 -4.939 1.00 21.33 H new ATOM 0 HD21 LEU A 542 -3.191 6.771 -3.619 1.00 14.44 H new ATOM 0 HD22 LEU A 542 -3.792 5.986 -5.099 1.00 14.44 H new ATOM 0 HD23 LEU A 542 -4.835 6.090 -3.660 1.00 14.44 H new ATOM 1453 N LEU A 543 -4.241 0.755 -6.129 1.00 74.41 N ATOM 1454 CA LEU A 543 -4.999 -0.424 -6.346 1.00 42.12 C ATOM 1455 C LEU A 543 -4.743 -1.308 -5.150 1.00 50.40 C ATOM 1456 O LEU A 543 -3.596 -1.716 -4.884 1.00 13.40 O ATOM 1457 CB LEU A 543 -4.567 -1.056 -7.694 1.00 52.43 C ATOM 1458 CG LEU A 543 -5.261 -2.325 -8.244 1.00 25.53 C ATOM 1459 CD1 LEU A 543 -5.023 -3.532 -7.389 1.00 5.34 C ATOM 1460 CD2 LEU A 543 -6.735 -2.103 -8.485 1.00 72.43 C ATOM 0 H LEU A 543 -3.239 0.650 -6.285 1.00 74.41 H new ATOM 0 HA LEU A 543 -6.071 -0.247 -6.429 1.00 42.12 H new ATOM 0 HB2 LEU A 543 -4.669 -0.282 -8.455 1.00 52.43 H new ATOM 0 HB3 LEU A 543 -3.504 -1.285 -7.612 1.00 52.43 H new ATOM 0 HG LEU A 543 -4.797 -2.528 -9.209 1.00 25.53 H new ATOM 0 HD11 LEU A 543 -5.533 -4.392 -7.823 1.00 5.34 H new ATOM 0 HD12 LEU A 543 -3.953 -3.734 -7.335 1.00 5.34 H new ATOM 0 HD13 LEU A 543 -5.409 -3.349 -6.386 1.00 5.34 H new ATOM 0 HD21 LEU A 543 -7.183 -3.019 -8.871 1.00 72.43 H new ATOM 0 HD22 LEU A 543 -7.220 -1.829 -7.548 1.00 72.43 H new ATOM 0 HD23 LEU A 543 -6.868 -1.301 -9.211 1.00 72.43 H new ATOM 1472 N VAL A 544 -5.786 -1.587 -4.435 1.00 23.42 N ATOM 1473 CA VAL A 544 -5.694 -2.325 -3.210 1.00 34.30 C ATOM 1474 C VAL A 544 -6.393 -3.641 -3.346 1.00 1.05 C ATOM 1475 O VAL A 544 -7.216 -3.829 -4.248 1.00 43.32 O ATOM 1476 CB VAL A 544 -6.300 -1.540 -2.003 1.00 33.25 C ATOM 1477 CG1 VAL A 544 -5.519 -0.268 -1.734 1.00 22.21 C ATOM 1478 CG2 VAL A 544 -7.776 -1.215 -2.237 1.00 10.42 C ATOM 0 H VAL A 544 -6.735 -1.308 -4.685 1.00 23.42 H new ATOM 0 HA VAL A 544 -4.634 -2.484 -3.011 1.00 34.30 H new ATOM 0 HB VAL A 544 -6.227 -2.183 -1.126 1.00 33.25 H new ATOM 0 HG11 VAL A 544 -5.962 0.259 -0.889 1.00 22.21 H new ATOM 0 HG12 VAL A 544 -4.484 -0.519 -1.503 1.00 22.21 H new ATOM 0 HG13 VAL A 544 -5.549 0.371 -2.617 1.00 22.21 H new ATOM 0 HG21 VAL A 544 -8.169 -0.669 -1.379 1.00 10.42 H new ATOM 0 HG22 VAL A 544 -7.876 -0.603 -3.134 1.00 10.42 H new ATOM 0 HG23 VAL A 544 -8.337 -2.141 -2.365 1.00 10.42 H new ATOM 1488 N PHE A 545 -6.061 -4.544 -2.484 1.00 1.55 N ATOM 1489 CA PHE A 545 -6.623 -5.854 -2.500 1.00 73.44 C ATOM 1490 C PHE A 545 -7.260 -6.085 -1.164 1.00 63.35 C ATOM 1491 O PHE A 545 -6.636 -5.831 -0.130 1.00 2.31 O ATOM 1492 CB PHE A 545 -5.504 -6.872 -2.706 1.00 34.23 C ATOM 1493 CG PHE A 545 -5.938 -8.266 -3.058 1.00 44.20 C ATOM 1494 CD1 PHE A 545 -6.387 -9.153 -2.099 1.00 14.53 C ATOM 1495 CD2 PHE A 545 -5.880 -8.686 -4.370 1.00 10.14 C ATOM 1496 CE1 PHE A 545 -6.767 -10.433 -2.450 1.00 54.52 C ATOM 1497 CE2 PHE A 545 -6.254 -9.957 -4.727 1.00 45.42 C ATOM 1498 CZ PHE A 545 -6.697 -10.833 -3.769 1.00 72.42 C ATOM 0 H PHE A 545 -5.382 -4.391 -1.738 1.00 1.55 H new ATOM 0 HA PHE A 545 -7.355 -5.956 -3.301 1.00 73.44 H new ATOM 0 HB2 PHE A 545 -4.848 -6.507 -3.496 1.00 34.23 H new ATOM 0 HB3 PHE A 545 -4.909 -6.918 -1.794 1.00 34.23 H new ATOM 0 HD1 PHE A 545 -6.441 -8.843 -1.066 1.00 14.53 H new ATOM 0 HD2 PHE A 545 -5.534 -8.002 -5.131 1.00 10.14 H new ATOM 0 HE1 PHE A 545 -7.118 -11.120 -1.694 1.00 54.52 H new ATOM 0 HE2 PHE A 545 -6.200 -10.267 -5.760 1.00 45.42 H new ATOM 0 HZ PHE A 545 -6.991 -11.835 -4.047 1.00 72.42 H new ATOM 1508 N ARG A 546 -8.474 -6.533 -1.171 1.00 74.34 N ATOM 1509 CA ARG A 546 -9.148 -6.840 0.043 1.00 61.10 C ATOM 1510 C ARG A 546 -9.744 -8.209 -0.043 1.00 23.22 C ATOM 1511 O ARG A 546 -10.592 -8.491 -0.909 1.00 60.44 O ATOM 1512 CB ARG A 546 -10.173 -5.786 0.383 1.00 0.12 C ATOM 1513 CG ARG A 546 -10.901 -6.038 1.680 1.00 13.32 C ATOM 1514 CD ARG A 546 -11.824 -4.899 2.012 1.00 5.53 C ATOM 1515 NE ARG A 546 -11.105 -3.639 2.284 1.00 35.24 N ATOM 1516 CZ ARG A 546 -11.689 -2.473 2.571 1.00 65.53 C ATOM 1517 NH1 ARG A 546 -13.013 -2.352 2.539 1.00 4.34 N ATOM 1518 NH2 ARG A 546 -10.946 -1.421 2.877 1.00 12.54 N ATOM 0 H ARG A 546 -9.022 -6.695 -2.016 1.00 74.34 H new ATOM 0 HA ARG A 546 -8.428 -6.839 0.861 1.00 61.10 H new ATOM 0 HB2 ARG A 546 -9.678 -4.816 0.438 1.00 0.12 H new ATOM 0 HB3 ARG A 546 -10.901 -5.727 -0.426 1.00 0.12 H new ATOM 0 HG2 ARG A 546 -11.472 -6.963 1.606 1.00 13.32 H new ATOM 0 HG3 ARG A 546 -10.179 -6.172 2.486 1.00 13.32 H new ATOM 0 HD2 ARG A 546 -12.516 -4.745 1.184 1.00 5.53 H new ATOM 0 HD3 ARG A 546 -12.423 -5.165 2.883 1.00 5.53 H new ATOM 0 HE ARG A 546 -10.086 -3.661 2.250 1.00 35.24 H new ATOM 0 HH11 ARG A 546 -13.593 -3.155 2.293 1.00 4.34 H new ATOM 0 HH12 ARG A 546 -13.449 -1.457 2.760 1.00 4.34 H new ATOM 0 HH21 ARG A 546 -9.929 -1.502 2.893 1.00 12.54 H new ATOM 0 HH22 ARG A 546 -11.390 -0.529 3.097 1.00 12.54 H new ATOM 1532 N GLN A 547 -9.291 -9.059 0.823 1.00 4.42 N ATOM 1533 CA GLN A 547 -9.694 -10.447 0.810 1.00 54.23 C ATOM 1534 C GLN A 547 -10.740 -10.768 1.865 1.00 4.31 C ATOM 1535 O GLN A 547 -10.726 -10.208 2.976 1.00 43.24 O ATOM 1536 CB GLN A 547 -8.487 -11.385 0.936 1.00 42.22 C ATOM 1537 CG GLN A 547 -7.702 -11.284 2.244 1.00 44.42 C ATOM 1538 CD GLN A 547 -6.499 -12.215 2.260 1.00 1.02 C ATOM 1539 OE1 GLN A 547 -5.913 -12.513 1.218 1.00 65.10 O ATOM 1540 NE2 GLN A 547 -6.122 -12.675 3.417 1.00 70.13 N ATOM 0 H GLN A 547 -8.631 -8.820 1.563 1.00 4.42 H new ATOM 0 HA GLN A 547 -10.161 -10.617 -0.160 1.00 54.23 H new ATOM 0 HB2 GLN A 547 -8.835 -12.412 0.821 1.00 42.22 H new ATOM 0 HB3 GLN A 547 -7.806 -11.184 0.109 1.00 42.22 H new ATOM 0 HG2 GLN A 547 -7.367 -10.257 2.388 1.00 44.42 H new ATOM 0 HG3 GLN A 547 -8.358 -11.525 3.080 1.00 44.42 H new ATOM 0 HE21 GLN A 547 -6.629 -12.409 4.261 1.00 70.13 H new ATOM 0 HE22 GLN A 547 -5.320 -13.302 3.480 1.00 70.13 H new ATOM 1549 N GLU A 548 -11.658 -11.636 1.496 1.00 12.12 N ATOM 1550 CA GLU A 548 -12.670 -12.135 2.394 1.00 41.21 C ATOM 1551 C GLU A 548 -11.997 -13.076 3.382 1.00 14.41 C ATOM 1552 O GLU A 548 -11.117 -13.870 2.993 1.00 73.32 O ATOM 1553 CB GLU A 548 -13.750 -12.901 1.616 1.00 3.12 C ATOM 1554 CG GLU A 548 -14.465 -12.090 0.541 1.00 15.41 C ATOM 1555 CD GLU A 548 -15.178 -10.882 1.087 1.00 45.20 C ATOM 1556 OE1 GLU A 548 -16.316 -11.028 1.591 1.00 72.14 O ATOM 1557 OE2 GLU A 548 -14.630 -9.767 0.998 1.00 30.21 O ATOM 0 H GLU A 548 -11.721 -12.018 0.552 1.00 12.12 H new ATOM 0 HA GLU A 548 -13.146 -11.302 2.912 1.00 41.21 H new ATOM 0 HB2 GLU A 548 -13.291 -13.772 1.148 1.00 3.12 H new ATOM 0 HB3 GLU A 548 -14.491 -13.273 2.323 1.00 3.12 H new ATOM 0 HG2 GLU A 548 -13.739 -11.769 -0.206 1.00 15.41 H new ATOM 0 HG3 GLU A 548 -15.185 -12.730 0.031 1.00 15.41 H new ATOM 1564 N ASP A 549 -12.389 -12.997 4.623 1.00 24.21 N ATOM 1565 CA ASP A 549 -11.780 -13.803 5.658 1.00 63.13 C ATOM 1566 C ASP A 549 -12.859 -14.459 6.476 1.00 25.13 C ATOM 1567 O ASP A 549 -13.433 -13.797 7.363 1.00 38.18 O ATOM 1568 CB ASP A 549 -10.866 -12.947 6.543 1.00 23.11 C ATOM 1569 CG ASP A 549 -10.111 -13.758 7.585 1.00 71.43 C ATOM 1570 OD1 ASP A 549 -9.095 -14.398 7.225 1.00 30.20 O ATOM 1571 OD2 ASP A 549 -10.507 -13.757 8.775 1.00 54.40 O ATOM 1572 OXT ASP A 549 -13.174 -15.623 6.225 1.00 38.18 O ATOM 0 H ASP A 549 -13.132 -12.380 4.949 1.00 24.21 H new ATOM 0 HA ASP A 549 -11.164 -14.575 5.198 1.00 63.13 H new ATOM 0 HB2 ASP A 549 -10.149 -12.421 5.912 1.00 23.11 H new ATOM 0 HB3 ASP A 549 -11.465 -12.188 7.046 1.00 23.11 H new TER 1577 ASP A 549