USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 521 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 32 ASN : amide:sc= -3.35! C(o=-6.2!,f=-13!) USER MOD Set 1.2: A 69 MET CE :methyl 167:sc= -2.86! (180deg=-0.934) USER MOD Single : A 2 LYS NZ :NH3+ -161:sc= -0.017 (180deg=-0.197) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 68:sc= -1.8 USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= -1.67 K(o=-1.7,f=-0.82) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -2.3 K(o=-2.3,f=-2.8) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.0912 K(o=-0.091,f=-1.7!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.877 K(o=-0.88,f=-1.4) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 ASN : amide:sc= -0.0496 K(o=-0.05,f=-1.4) USER MOD Single : A 73 SER OG : rot -43:sc= 0.00357 USER MOD ----------------------------------------------------------------- ATOM 18 N LYS A 2 3.652 -1.208 0.121 1.00 30.31 N ATOM 19 CA LYS A 2 4.661 -2.127 -0.394 1.00 12.43 C ATOM 20 C LYS A 2 4.546 -3.492 0.276 1.00 22.13 C ATOM 21 O LYS A 2 5.153 -3.736 1.319 1.00 3.33 O ATOM 22 CB LYS A 2 6.062 -1.554 -0.172 1.00 4.34 C ATOM 23 CG LYS A 2 6.295 -1.046 1.241 1.00 22.30 C ATOM 24 CD LYS A 2 6.059 0.451 1.342 1.00 42.44 C ATOM 25 CE LYS A 2 5.798 0.879 2.778 1.00 53.24 C ATOM 26 NZ LYS A 2 4.465 0.421 3.259 1.00 51.42 N ATOM 0 HA LYS A 2 4.491 -2.252 -1.463 1.00 12.43 H new ATOM 0 HB2 LYS A 2 6.800 -2.323 -0.399 1.00 4.34 H new ATOM 0 HB3 LYS A 2 6.227 -0.737 -0.875 1.00 4.34 H new ATOM 0 HG2 LYS A 2 5.630 -1.567 1.930 1.00 22.30 H new ATOM 0 HG3 LYS A 2 7.316 -1.276 1.547 1.00 22.30 H new ATOM 0 HD2 LYS A 2 6.927 0.984 0.955 1.00 42.44 H new ATOM 0 HD3 LYS A 2 5.210 0.729 0.718 1.00 42.44 H new ATOM 0 HE2 LYS A 2 6.576 0.474 3.425 1.00 53.24 H new ATOM 0 HE3 LYS A 2 5.857 1.965 2.850 1.00 53.24 H new ATOM 0 HZ1 LYS A 2 4.184 0.981 4.089 1.00 51.42 H new ATOM 0 HZ2 LYS A 2 3.762 0.546 2.503 1.00 51.42 H new ATOM 0 HZ3 LYS A 2 4.517 -0.584 3.521 1.00 51.42 H new ATOM 40 N PHE A 3 3.765 -4.380 -0.330 1.00 43.01 N ATOM 41 CA PHE A 3 3.572 -5.722 0.208 1.00 51.51 C ATOM 42 C PHE A 3 3.382 -6.736 -0.916 1.00 23.11 C ATOM 43 O PHE A 3 2.629 -6.498 -1.860 1.00 74.33 O ATOM 44 CB PHE A 3 2.362 -5.749 1.144 1.00 2.14 C ATOM 45 CG PHE A 3 1.045 -5.770 0.422 1.00 24.33 C ATOM 46 CD1 PHE A 3 0.475 -6.970 0.030 1.00 33.42 C ATOM 47 CD2 PHE A 3 0.379 -4.590 0.135 1.00 35.10 C ATOM 48 CE1 PHE A 3 -0.737 -6.994 -0.634 1.00 52.33 C ATOM 49 CE2 PHE A 3 -0.834 -4.607 -0.529 1.00 24.34 C ATOM 50 CZ PHE A 3 -1.392 -5.810 -0.915 1.00 24.31 C ATOM 0 H PHE A 3 3.255 -4.195 -1.194 1.00 43.01 H new ATOM 0 HA PHE A 3 4.465 -5.993 0.771 1.00 51.51 H new ATOM 0 HB2 PHE A 3 2.429 -6.627 1.786 1.00 2.14 H new ATOM 0 HB3 PHE A 3 2.397 -4.875 1.795 1.00 2.14 H new ATOM 0 HD1 PHE A 3 0.984 -7.898 0.246 1.00 33.42 H new ATOM 0 HD2 PHE A 3 0.812 -3.646 0.433 1.00 35.10 H new ATOM 0 HE1 PHE A 3 -1.171 -7.937 -0.933 1.00 52.33 H new ATOM 0 HE2 PHE A 3 -1.345 -3.680 -0.746 1.00 24.34 H new ATOM 0 HZ PHE A 3 -2.338 -5.825 -1.435 1.00 24.31 H new ATOM 60 N ILE A 4 4.072 -7.867 -0.807 1.00 14.34 N ATOM 61 CA ILE A 4 3.979 -8.918 -1.813 1.00 1.55 C ATOM 62 C ILE A 4 3.905 -10.295 -1.163 1.00 73.21 C ATOM 63 O ILE A 4 4.356 -10.487 -0.034 1.00 2.02 O ATOM 64 CB ILE A 4 5.179 -8.881 -2.777 1.00 25.12 C ATOM 65 CG1 ILE A 4 5.409 -7.457 -3.287 1.00 12.23 C ATOM 66 CG2 ILE A 4 4.954 -9.836 -3.940 1.00 10.15 C ATOM 67 CD1 ILE A 4 4.295 -6.946 -4.174 1.00 21.01 C ATOM 0 H ILE A 4 4.701 -8.079 -0.033 1.00 14.34 H new ATOM 0 HA ILE A 4 3.064 -8.736 -2.377 1.00 1.55 H new ATOM 0 HB ILE A 4 6.070 -9.201 -2.236 1.00 25.12 H new ATOM 0 HG12 ILE A 4 5.519 -6.788 -2.434 1.00 12.23 H new ATOM 0 HG13 ILE A 4 6.347 -7.425 -3.841 1.00 12.23 H new ATOM 0 HG21 ILE A 4 5.811 -9.798 -4.613 1.00 10.15 H new ATOM 0 HG22 ILE A 4 4.835 -10.851 -3.560 1.00 10.15 H new ATOM 0 HG23 ILE A 4 4.054 -9.544 -4.482 1.00 10.15 H new ATOM 0 HD11 ILE A 4 4.525 -5.931 -4.499 1.00 21.01 H new ATOM 0 HD12 ILE A 4 4.198 -7.593 -5.046 1.00 21.01 H new ATOM 0 HD13 ILE A 4 3.358 -6.945 -3.617 1.00 21.01 H new ATOM 79 N LYS A 5 3.333 -11.253 -1.885 1.00 24.32 N ATOM 80 CA LYS A 5 3.202 -12.616 -1.382 1.00 11.42 C ATOM 81 C LYS A 5 4.553 -13.323 -1.369 1.00 31.55 C ATOM 82 O LYS A 5 5.551 -12.786 -1.850 1.00 32.24 O ATOM 83 CB LYS A 5 2.209 -13.404 -2.239 1.00 63.21 C ATOM 84 CG LYS A 5 2.765 -13.814 -3.592 1.00 5.02 C ATOM 85 CD LYS A 5 1.672 -14.334 -4.510 1.00 22.42 C ATOM 86 CE LYS A 5 1.942 -13.969 -5.961 1.00 42.32 C ATOM 87 NZ LYS A 5 0.829 -14.390 -6.856 1.00 14.23 N ATOM 0 H LYS A 5 2.953 -11.111 -2.821 1.00 24.32 H new ATOM 0 HA LYS A 5 2.829 -12.565 -0.359 1.00 11.42 H new ATOM 0 HB2 LYS A 5 1.902 -14.298 -1.696 1.00 63.21 H new ATOM 0 HB3 LYS A 5 1.314 -12.800 -2.391 1.00 63.21 H new ATOM 0 HG2 LYS A 5 3.257 -12.960 -4.058 1.00 5.02 H new ATOM 0 HG3 LYS A 5 3.524 -14.584 -3.456 1.00 5.02 H new ATOM 0 HD2 LYS A 5 1.600 -15.417 -4.414 1.00 22.42 H new ATOM 0 HD3 LYS A 5 0.711 -13.922 -4.203 1.00 22.42 H new ATOM 0 HE2 LYS A 5 2.086 -12.892 -6.043 1.00 42.32 H new ATOM 0 HE3 LYS A 5 2.869 -14.441 -6.288 1.00 42.32 H new ATOM 0 HZ1 LYS A 5 1.052 -14.123 -7.836 1.00 14.23 H new ATOM 0 HZ2 LYS A 5 0.707 -15.421 -6.797 1.00 14.23 H new ATOM 0 HZ3 LYS A 5 -0.051 -13.920 -6.561 1.00 14.23 H new ATOM 101 N TYR A 6 4.577 -14.531 -0.817 1.00 22.44 N ATOM 102 CA TYR A 6 5.806 -15.312 -0.740 1.00 62.32 C ATOM 103 C TYR A 6 6.175 -15.883 -2.106 1.00 51.34 C ATOM 104 O TYR A 6 5.328 -15.998 -2.994 1.00 3.43 O ATOM 105 CB TYR A 6 5.652 -16.447 0.274 1.00 41.01 C ATOM 106 CG TYR A 6 5.406 -15.967 1.687 1.00 63.35 C ATOM 107 CD1 TYR A 6 6.218 -14.997 2.263 1.00 75.34 C ATOM 108 CD2 TYR A 6 4.364 -16.485 2.446 1.00 50.54 C ATOM 109 CE1 TYR A 6 5.997 -14.556 3.553 1.00 23.32 C ATOM 110 CE2 TYR A 6 4.135 -16.049 3.736 1.00 4.53 C ATOM 111 CZ TYR A 6 4.955 -15.085 4.286 1.00 52.43 C ATOM 112 OH TYR A 6 4.731 -14.649 5.572 1.00 44.44 O ATOM 0 H TYR A 6 3.759 -14.991 -0.416 1.00 22.44 H new ATOM 0 HA TYR A 6 6.607 -14.649 -0.414 1.00 62.32 H new ATOM 0 HB2 TYR A 6 4.825 -17.087 -0.033 1.00 41.01 H new ATOM 0 HB3 TYR A 6 6.553 -17.061 0.259 1.00 41.01 H new ATOM 0 HD1 TYR A 6 7.035 -14.581 1.692 1.00 75.34 H new ATOM 0 HD2 TYR A 6 3.722 -17.242 2.020 1.00 50.54 H new ATOM 0 HE1 TYR A 6 6.637 -13.801 3.986 1.00 23.32 H new ATOM 0 HE2 TYR A 6 3.319 -16.460 4.311 1.00 4.53 H new ATOM 0 HH TYR A 6 3.959 -15.121 5.948 1.00 44.44 H new ATOM 122 N LEU A 7 7.444 -16.239 -2.268 1.00 23.30 N ATOM 123 CA LEU A 7 7.928 -16.799 -3.525 1.00 74.14 C ATOM 124 C LEU A 7 8.433 -18.225 -3.328 1.00 43.42 C ATOM 125 O LEU A 7 9.638 -18.477 -3.361 1.00 53.21 O ATOM 126 CB LEU A 7 9.044 -15.925 -4.100 1.00 54.12 C ATOM 127 CG LEU A 7 8.817 -14.414 -4.029 1.00 20.40 C ATOM 128 CD1 LEU A 7 9.973 -13.670 -4.678 1.00 44.02 C ATOM 129 CD2 LEU A 7 7.500 -14.041 -4.693 1.00 52.21 C ATOM 0 H LEU A 7 8.157 -16.150 -1.544 1.00 23.30 H new ATOM 0 HA LEU A 7 7.095 -16.822 -4.228 1.00 74.14 H new ATOM 0 HB2 LEU A 7 9.969 -16.158 -3.573 1.00 54.12 H new ATOM 0 HB3 LEU A 7 9.193 -16.201 -5.144 1.00 54.12 H new ATOM 0 HG LEU A 7 8.767 -14.122 -2.980 1.00 20.40 H new ATOM 0 HD11 LEU A 7 9.794 -12.596 -4.618 1.00 44.02 H new ATOM 0 HD12 LEU A 7 10.900 -13.913 -4.158 1.00 44.02 H new ATOM 0 HD13 LEU A 7 10.055 -13.966 -5.724 1.00 44.02 H new ATOM 0 HD21 LEU A 7 7.355 -12.962 -4.633 1.00 52.21 H new ATOM 0 HD22 LEU A 7 7.520 -14.347 -5.739 1.00 52.21 H new ATOM 0 HD23 LEU A 7 6.680 -14.546 -4.183 1.00 52.21 H new ATOM 141 N SER A 8 7.505 -19.154 -3.125 1.00 54.33 N ATOM 142 CA SER A 8 7.856 -20.554 -2.921 1.00 61.13 C ATOM 143 C SER A 8 6.608 -21.397 -2.676 1.00 25.22 C ATOM 144 O SER A 8 5.483 -20.926 -2.844 1.00 31.42 O ATOM 145 CB SER A 8 8.820 -20.693 -1.741 1.00 71.33 C ATOM 146 OG SER A 8 9.894 -21.561 -2.060 1.00 1.12 O ATOM 0 H SER A 8 6.504 -18.962 -3.097 1.00 54.33 H new ATOM 0 HA SER A 8 8.345 -20.916 -3.825 1.00 61.13 H new ATOM 0 HB2 SER A 8 9.210 -19.712 -1.468 1.00 71.33 H new ATOM 0 HB3 SER A 8 8.284 -21.076 -0.873 1.00 71.33 H new ATOM 0 HG SER A 8 10.464 -21.141 -2.737 1.00 1.12 H new ATOM 247 N MET A 15 9.741 -22.567 4.266 1.00 13.15 N ATOM 248 CA MET A 15 10.582 -21.779 3.373 1.00 24.05 C ATOM 249 C MET A 15 9.737 -20.852 2.506 1.00 34.12 C ATOM 250 O MET A 15 8.841 -21.301 1.792 1.00 64.22 O ATOM 251 CB MET A 15 11.424 -22.699 2.487 1.00 73.21 C ATOM 252 CG MET A 15 12.914 -22.406 2.548 1.00 20.22 C ATOM 253 SD MET A 15 13.766 -23.395 3.793 1.00 53.43 S ATOM 254 CE MET A 15 14.924 -24.301 2.771 1.00 74.44 C ATOM 0 HA MET A 15 11.246 -21.168 3.985 1.00 24.05 H new ATOM 0 HB2 MET A 15 11.253 -23.733 2.786 1.00 73.21 H new ATOM 0 HB3 MET A 15 11.086 -22.605 1.455 1.00 73.21 H new ATOM 0 HG2 MET A 15 13.358 -22.597 1.571 1.00 20.22 H new ATOM 0 HG3 MET A 15 13.064 -21.348 2.765 1.00 20.22 H new ATOM 0 HE1 MET A 15 15.526 -24.959 3.398 1.00 74.44 H new ATOM 0 HE2 MET A 15 14.376 -24.897 2.041 1.00 74.44 H new ATOM 0 HE3 MET A 15 15.576 -23.600 2.251 1.00 74.44 H new ATOM 264 N ASN A 16 10.027 -19.557 2.574 1.00 13.15 N ATOM 265 CA ASN A 16 9.292 -18.567 1.796 1.00 55.13 C ATOM 266 C ASN A 16 10.109 -17.289 1.629 1.00 31.43 C ATOM 267 O ASN A 16 11.013 -17.012 2.418 1.00 64.34 O ATOM 268 CB ASN A 16 7.956 -18.247 2.470 1.00 53.23 C ATOM 269 CG ASN A 16 6.865 -19.228 2.086 1.00 12.11 C ATOM 270 OD1 ASN A 16 6.188 -19.788 2.948 1.00 75.41 O ATOM 271 ND2 ASN A 16 6.690 -19.440 0.787 1.00 63.12 N ATOM 0 H ASN A 16 10.766 -19.169 3.160 1.00 13.15 H new ATOM 0 HA ASN A 16 9.102 -18.987 0.808 1.00 55.13 H new ATOM 0 HB2 ASN A 16 8.086 -18.258 3.552 1.00 53.23 H new ATOM 0 HB3 ASN A 16 7.647 -17.238 2.196 1.00 53.23 H new ATOM 0 HD21 ASN A 16 5.971 -20.089 0.469 1.00 63.12 H new ATOM 0 HD22 ASN A 16 7.275 -18.953 0.108 1.00 63.12 H new ATOM 278 N ILE A 17 9.784 -16.515 0.599 1.00 34.54 N ATOM 279 CA ILE A 17 10.486 -15.267 0.331 1.00 43.11 C ATOM 280 C ILE A 17 9.511 -14.099 0.225 1.00 23.22 C ATOM 281 O ILE A 17 8.705 -14.033 -0.702 1.00 14.02 O ATOM 282 CB ILE A 17 11.310 -15.353 -0.968 1.00 10.54 C ATOM 283 CG1 ILE A 17 12.458 -16.350 -0.804 1.00 62.50 C ATOM 284 CG2 ILE A 17 11.844 -13.980 -1.347 1.00 43.43 C ATOM 285 CD1 ILE A 17 12.826 -17.064 -2.086 1.00 42.43 C ATOM 0 H ILE A 17 9.039 -16.731 -0.063 1.00 34.54 H new ATOM 0 HA ILE A 17 11.161 -15.098 1.170 1.00 43.11 H new ATOM 0 HB ILE A 17 10.661 -15.704 -1.771 1.00 10.54 H new ATOM 0 HG12 ILE A 17 13.335 -15.824 -0.426 1.00 62.50 H new ATOM 0 HG13 ILE A 17 12.182 -17.089 -0.052 1.00 62.50 H new ATOM 0 HG21 ILE A 17 12.424 -14.056 -2.267 1.00 43.43 H new ATOM 0 HG22 ILE A 17 11.010 -13.295 -1.500 1.00 43.43 H new ATOM 0 HG23 ILE A 17 12.481 -13.604 -0.546 1.00 43.43 H new ATOM 0 HD11 ILE A 17 13.647 -17.755 -1.895 1.00 42.43 H new ATOM 0 HD12 ILE A 17 11.963 -17.619 -2.454 1.00 42.43 H new ATOM 0 HD13 ILE A 17 13.134 -16.333 -2.834 1.00 42.43 H new ATOM 297 N ALA A 18 9.593 -13.179 1.181 1.00 51.05 N ATOM 298 CA ALA A 18 8.721 -12.011 1.193 1.00 74.31 C ATOM 299 C ALA A 18 9.283 -10.897 0.317 1.00 54.22 C ATOM 300 O ALA A 18 10.443 -10.511 0.455 1.00 44.43 O ATOM 301 CB ALA A 18 8.522 -11.516 2.618 1.00 41.12 C ATOM 0 H ALA A 18 10.254 -13.220 1.957 1.00 51.05 H new ATOM 0 HA ALA A 18 7.754 -12.305 0.784 1.00 74.31 H new ATOM 0 HB1 ALA A 18 7.869 -10.643 2.612 1.00 41.12 H new ATOM 0 HB2 ALA A 18 8.068 -12.305 3.217 1.00 41.12 H new ATOM 0 HB3 ALA A 18 9.487 -11.244 3.047 1.00 41.12 H new ATOM 307 N VAL A 19 8.452 -10.384 -0.585 1.00 42.25 N ATOM 308 CA VAL A 19 8.866 -9.313 -1.484 1.00 64.12 C ATOM 309 C VAL A 19 8.080 -8.035 -1.215 1.00 41.14 C ATOM 310 O VAL A 19 7.054 -8.056 -0.536 1.00 32.35 O ATOM 311 CB VAL A 19 8.682 -9.716 -2.959 1.00 51.44 C ATOM 312 CG1 VAL A 19 9.781 -9.111 -3.820 1.00 13.53 C ATOM 313 CG2 VAL A 19 8.657 -11.230 -3.099 1.00 24.22 C ATOM 0 H VAL A 19 7.488 -10.693 -0.713 1.00 42.25 H new ATOM 0 HA VAL A 19 9.924 -9.132 -1.294 1.00 64.12 H new ATOM 0 HB VAL A 19 7.725 -9.326 -3.307 1.00 51.44 H new ATOM 0 HG11 VAL A 19 9.634 -9.407 -4.859 1.00 13.53 H new ATOM 0 HG12 VAL A 19 9.746 -8.024 -3.744 1.00 13.53 H new ATOM 0 HG13 VAL A 19 10.751 -9.468 -3.475 1.00 13.53 H new ATOM 0 HG21 VAL A 19 8.526 -11.496 -4.148 1.00 24.22 H new ATOM 0 HG22 VAL A 19 9.596 -11.645 -2.734 1.00 24.22 H new ATOM 0 HG23 VAL A 19 7.830 -11.636 -2.516 1.00 24.22 H new ATOM 323 N TYR A 20 8.568 -6.923 -1.754 1.00 11.24 N ATOM 324 CA TYR A 20 7.912 -5.634 -1.570 1.00 51.44 C ATOM 325 C TYR A 20 8.040 -4.774 -2.824 1.00 43.03 C ATOM 326 O TYR A 20 9.126 -4.637 -3.387 1.00 71.32 O ATOM 327 CB TYR A 20 8.512 -4.898 -0.371 1.00 31.21 C ATOM 328 CG TYR A 20 8.656 -5.764 0.860 1.00 63.50 C ATOM 329 CD1 TYR A 20 7.542 -6.154 1.594 1.00 63.35 C ATOM 330 CD2 TYR A 20 9.906 -6.192 1.290 1.00 22.21 C ATOM 331 CE1 TYR A 20 7.669 -6.945 2.719 1.00 23.12 C ATOM 332 CE2 TYR A 20 10.042 -6.984 2.414 1.00 65.34 C ATOM 333 CZ TYR A 20 8.921 -7.358 3.125 1.00 43.12 C ATOM 334 OH TYR A 20 9.053 -8.146 4.245 1.00 10.34 O ATOM 0 H TYR A 20 9.415 -6.888 -2.321 1.00 11.24 H new ATOM 0 HA TYR A 20 6.854 -5.818 -1.383 1.00 51.44 H new ATOM 0 HB2 TYR A 20 9.492 -4.508 -0.648 1.00 31.21 H new ATOM 0 HB3 TYR A 20 7.884 -4.040 -0.130 1.00 31.21 H new ATOM 0 HD1 TYR A 20 6.560 -5.833 1.279 1.00 63.35 H new ATOM 0 HD2 TYR A 20 10.786 -5.901 0.736 1.00 22.21 H new ATOM 0 HE1 TYR A 20 6.793 -7.239 3.278 1.00 23.12 H new ATOM 0 HE2 TYR A 20 11.021 -7.309 2.734 1.00 65.34 H new ATOM 0 HH TYR A 20 10.000 -8.349 4.392 1.00 10.34 H new ATOM 344 N GLU A 21 6.923 -4.196 -3.255 1.00 21.41 N ATOM 345 CA GLU A 21 6.910 -3.350 -4.442 1.00 41.02 C ATOM 346 C GLU A 21 6.648 -1.894 -4.069 1.00 51.43 C ATOM 347 O GLU A 21 5.996 -1.607 -3.066 1.00 40.44 O ATOM 348 CB GLU A 21 5.846 -3.835 -5.430 1.00 4.54 C ATOM 349 CG GLU A 21 6.042 -3.309 -6.842 1.00 24.12 C ATOM 350 CD GLU A 21 4.823 -3.522 -7.718 1.00 10.42 C ATOM 351 OE1 GLU A 21 4.390 -4.685 -7.858 1.00 53.53 O ATOM 352 OE2 GLU A 21 4.302 -2.526 -8.263 1.00 24.03 O ATOM 0 H GLU A 21 6.016 -4.298 -2.800 1.00 21.41 H new ATOM 0 HA GLU A 21 7.890 -3.415 -4.914 1.00 41.02 H new ATOM 0 HB2 GLU A 21 5.853 -4.925 -5.453 1.00 4.54 H new ATOM 0 HB3 GLU A 21 4.863 -3.530 -5.071 1.00 4.54 H new ATOM 0 HG2 GLU A 21 6.273 -2.245 -6.800 1.00 24.12 H new ATOM 0 HG3 GLU A 21 6.901 -3.805 -7.294 1.00 24.12 H new ATOM 359 N ASN A 22 7.162 -0.978 -4.885 1.00 33.52 N ATOM 360 CA ASN A 22 6.985 0.448 -4.641 1.00 13.43 C ATOM 361 C ASN A 22 5.812 0.997 -5.447 1.00 73.15 C ATOM 362 O ASN A 22 5.546 0.547 -6.561 1.00 60.51 O ATOM 363 CB ASN A 22 8.263 1.210 -4.996 1.00 1.31 C ATOM 364 CG ASN A 22 8.100 2.711 -4.854 1.00 52.44 C ATOM 365 OD1 ASN A 22 7.399 3.189 -3.962 1.00 42.41 O ATOM 366 ND2 ASN A 22 8.748 3.463 -5.737 1.00 74.43 N ATOM 0 H ASN A 22 7.704 -1.199 -5.720 1.00 33.52 H new ATOM 0 HA ASN A 22 6.770 0.585 -3.581 1.00 13.43 H new ATOM 0 HB2 ASN A 22 9.075 0.873 -4.351 1.00 1.31 H new ATOM 0 HB3 ASN A 22 8.551 0.974 -6.020 1.00 1.31 H new ATOM 0 HD21 ASN A 22 8.675 4.479 -5.692 1.00 74.43 H new ATOM 0 HD22 ASN A 22 9.318 3.024 -6.460 1.00 74.43 H new ATOM 373 N GLY A 23 5.113 1.974 -4.877 1.00 32.53 N ATOM 374 CA GLY A 23 3.977 2.568 -5.557 1.00 11.04 C ATOM 375 C GLY A 23 4.372 3.268 -6.842 1.00 11.34 C ATOM 376 O GLY A 23 3.583 3.344 -7.783 1.00 72.54 O ATOM 0 H GLY A 23 5.313 2.365 -3.956 1.00 32.53 H new ATOM 0 HA2 GLY A 23 3.245 1.792 -5.780 1.00 11.04 H new ATOM 0 HA3 GLY A 23 3.492 3.283 -4.892 1.00 11.04 H new ATOM 380 N SER A 24 5.596 3.784 -6.881 1.00 24.24 N ATOM 381 CA SER A 24 6.093 4.487 -8.058 1.00 32.32 C ATOM 382 C SER A 24 6.600 3.501 -9.106 1.00 31.43 C ATOM 383 O SER A 24 6.017 3.365 -10.182 1.00 21.03 O ATOM 384 CB SER A 24 7.212 5.453 -7.667 1.00 3.25 C ATOM 385 OG SER A 24 7.337 6.499 -8.614 1.00 44.32 O ATOM 0 H SER A 24 6.262 3.728 -6.111 1.00 24.24 H new ATOM 0 HA SER A 24 5.267 5.054 -8.487 1.00 32.32 H new ATOM 0 HB2 SER A 24 7.007 5.873 -6.682 1.00 3.25 H new ATOM 0 HB3 SER A 24 8.155 4.911 -7.592 1.00 3.25 H new ATOM 0 HG SER A 24 8.058 7.104 -8.340 1.00 44.32 H new ATOM 391 N LYS A 25 7.690 2.813 -8.783 1.00 44.43 N ATOM 392 CA LYS A 25 8.278 1.838 -9.694 1.00 52.01 C ATOM 393 C LYS A 25 8.224 0.435 -9.098 1.00 15.13 C ATOM 394 O LYS A 25 7.681 0.233 -8.011 1.00 54.30 O ATOM 395 CB LYS A 25 9.727 2.213 -10.011 1.00 3.45 C ATOM 396 CG LYS A 25 9.861 3.485 -10.830 1.00 62.15 C ATOM 397 CD LYS A 25 10.783 3.286 -12.022 1.00 22.23 C ATOM 398 CE LYS A 25 12.244 3.443 -11.628 1.00 60.22 C ATOM 399 NZ LYS A 25 13.142 3.440 -12.816 1.00 71.22 N ATOM 0 H LYS A 25 8.184 2.913 -7.896 1.00 44.43 H new ATOM 0 HA LYS A 25 7.698 1.845 -10.617 1.00 52.01 H new ATOM 0 HB2 LYS A 25 10.275 2.333 -9.077 1.00 3.45 H new ATOM 0 HB3 LYS A 25 10.196 1.391 -10.552 1.00 3.45 H new ATOM 0 HG2 LYS A 25 8.877 3.800 -11.178 1.00 62.15 H new ATOM 0 HG3 LYS A 25 10.247 4.286 -10.200 1.00 62.15 H new ATOM 0 HD2 LYS A 25 10.624 2.294 -12.445 1.00 22.23 H new ATOM 0 HD3 LYS A 25 10.535 4.008 -12.800 1.00 22.23 H new ATOM 0 HE2 LYS A 25 12.374 4.375 -11.077 1.00 60.22 H new ATOM 0 HE3 LYS A 25 12.528 2.633 -10.956 1.00 60.22 H new ATOM 0 HZ1 LYS A 25 14.129 3.549 -12.506 1.00 71.22 H new ATOM 0 HZ2 LYS A 25 13.037 2.541 -13.328 1.00 71.22 H new ATOM 0 HZ3 LYS A 25 12.888 4.228 -13.445 1.00 71.22 H new ATOM 413 N ILE A 26 8.790 -0.530 -9.814 1.00 42.32 N ATOM 414 CA ILE A 26 8.808 -1.913 -9.354 1.00 11.43 C ATOM 415 C ILE A 26 9.991 -2.168 -8.426 1.00 14.35 C ATOM 416 O ILE A 26 11.098 -1.685 -8.665 1.00 72.31 O ATOM 417 CB ILE A 26 8.875 -2.899 -10.535 1.00 11.50 C ATOM 418 CG1 ILE A 26 7.643 -2.742 -11.429 1.00 0.21 C ATOM 419 CG2 ILE A 26 8.988 -4.328 -10.026 1.00 44.21 C ATOM 420 CD1 ILE A 26 6.376 -3.295 -10.815 1.00 23.15 C ATOM 0 H ILE A 26 9.243 -0.380 -10.716 1.00 42.32 H new ATOM 0 HA ILE A 26 7.879 -2.076 -8.808 1.00 11.43 H new ATOM 0 HB ILE A 26 9.762 -2.674 -11.127 1.00 11.50 H new ATOM 0 HG12 ILE A 26 7.498 -1.685 -11.651 1.00 0.21 H new ATOM 0 HG13 ILE A 26 7.827 -3.245 -12.378 1.00 0.21 H new ATOM 0 HG21 ILE A 26 9.034 -5.013 -10.872 1.00 44.21 H new ATOM 0 HG22 ILE A 26 9.893 -4.430 -9.426 1.00 44.21 H new ATOM 0 HG23 ILE A 26 8.118 -4.566 -9.414 1.00 44.21 H new ATOM 0 HD11 ILE A 26 5.544 -3.149 -11.504 1.00 23.15 H new ATOM 0 HD12 ILE A 26 6.502 -4.360 -10.618 1.00 23.15 H new ATOM 0 HD13 ILE A 26 6.168 -2.775 -9.880 1.00 23.15 H new ATOM 432 N LYS A 27 9.749 -2.931 -7.365 1.00 44.10 N ATOM 433 CA LYS A 27 10.794 -3.254 -6.401 1.00 23.31 C ATOM 434 C LYS A 27 10.742 -4.730 -6.017 1.00 3.54 C ATOM 435 O LYS A 27 9.665 -5.294 -5.829 1.00 21.03 O ATOM 436 CB LYS A 27 10.649 -2.385 -5.150 1.00 21.03 C ATOM 437 CG LYS A 27 11.626 -2.744 -4.043 1.00 51.43 C ATOM 438 CD LYS A 27 11.942 -1.543 -3.168 1.00 10.34 C ATOM 439 CE LYS A 27 13.024 -0.671 -3.786 1.00 70.14 C ATOM 440 NZ LYS A 27 13.588 0.295 -2.803 1.00 61.51 N ATOM 0 H LYS A 27 8.838 -3.337 -7.151 1.00 44.10 H new ATOM 0 HA LYS A 27 11.759 -3.051 -6.866 1.00 23.31 H new ATOM 0 HB2 LYS A 27 10.793 -1.340 -5.425 1.00 21.03 H new ATOM 0 HB3 LYS A 27 9.632 -2.478 -4.769 1.00 21.03 H new ATOM 0 HG2 LYS A 27 11.206 -3.542 -3.430 1.00 51.43 H new ATOM 0 HG3 LYS A 27 12.547 -3.129 -4.480 1.00 51.43 H new ATOM 0 HD2 LYS A 27 11.038 -0.952 -3.019 1.00 10.34 H new ATOM 0 HD3 LYS A 27 12.266 -1.883 -2.184 1.00 10.34 H new ATOM 0 HE2 LYS A 27 13.823 -1.304 -4.173 1.00 70.14 H new ATOM 0 HE3 LYS A 27 12.610 -0.126 -4.634 1.00 70.14 H new ATOM 0 HZ1 LYS A 27 14.322 0.870 -3.263 1.00 61.51 H new ATOM 0 HZ2 LYS A 27 12.831 0.916 -2.453 1.00 61.51 H new ATOM 0 HZ3 LYS A 27 14.006 -0.225 -2.005 1.00 61.51 H new ATOM 454 N ALA A 28 11.913 -5.348 -5.900 1.00 41.42 N ATOM 455 CA ALA A 28 12.000 -6.756 -5.535 1.00 5.13 C ATOM 456 C ALA A 28 13.021 -6.972 -4.423 1.00 24.22 C ATOM 457 O ALA A 28 14.229 -6.934 -4.660 1.00 12.32 O ATOM 458 CB ALA A 28 12.357 -7.596 -6.752 1.00 42.01 C ATOM 0 H ALA A 28 12.814 -4.895 -6.053 1.00 41.42 H new ATOM 0 HA ALA A 28 11.025 -7.071 -5.164 1.00 5.13 H new ATOM 0 HB1 ALA A 28 12.419 -8.646 -6.464 1.00 42.01 H new ATOM 0 HB2 ALA A 28 11.590 -7.474 -7.516 1.00 42.01 H new ATOM 0 HB3 ALA A 28 13.319 -7.271 -7.149 1.00 42.01 H new ATOM 464 N ARG A 29 12.529 -7.199 -3.209 1.00 72.15 N ATOM 465 CA ARG A 29 13.399 -7.419 -2.061 1.00 31.54 C ATOM 466 C ARG A 29 13.186 -8.813 -1.477 1.00 14.04 C ATOM 467 O ARG A 29 12.160 -9.086 -0.854 1.00 34.24 O ATOM 468 CB ARG A 29 13.141 -6.360 -0.988 1.00 35.14 C ATOM 469 CG ARG A 29 14.073 -6.464 0.208 1.00 21.31 C ATOM 470 CD ARG A 29 13.466 -5.823 1.446 1.00 74.01 C ATOM 471 NE ARG A 29 13.022 -4.455 1.192 1.00 42.11 N ATOM 472 CZ ARG A 29 13.853 -3.432 1.027 1.00 1.44 C ATOM 473 NH1 ARG A 29 15.164 -3.621 1.090 1.00 72.14 N ATOM 474 NH2 ARG A 29 13.373 -2.216 0.800 1.00 41.33 N ATOM 0 H ARG A 29 11.532 -7.235 -2.996 1.00 72.15 H new ATOM 0 HA ARG A 29 14.432 -7.339 -2.399 1.00 31.54 H new ATOM 0 HB2 ARG A 29 13.245 -5.371 -1.434 1.00 35.14 H new ATOM 0 HB3 ARG A 29 12.111 -6.448 -0.643 1.00 35.14 H new ATOM 0 HG2 ARG A 29 14.291 -7.513 0.410 1.00 21.31 H new ATOM 0 HG3 ARG A 29 15.021 -5.980 -0.025 1.00 21.31 H new ATOM 0 HD2 ARG A 29 12.621 -6.421 1.787 1.00 74.01 H new ATOM 0 HD3 ARG A 29 14.201 -5.822 2.251 1.00 74.01 H new ATOM 0 HE ARG A 29 12.019 -4.275 1.138 1.00 42.11 H new ATOM 0 HH11 ARG A 29 15.537 -4.554 1.266 1.00 72.14 H new ATOM 0 HH12 ARG A 29 15.800 -2.833 0.963 1.00 72.14 H new ATOM 0 HH21 ARG A 29 12.365 -2.066 0.752 1.00 41.33 H new ATOM 0 HH22 ARG A 29 14.012 -1.431 0.673 1.00 41.33 H new ATOM 488 N VAL A 30 14.162 -9.691 -1.683 1.00 31.22 N ATOM 489 CA VAL A 30 14.082 -11.056 -1.177 1.00 31.23 C ATOM 490 C VAL A 30 14.375 -11.106 0.319 1.00 43.05 C ATOM 491 O VAL A 30 15.490 -10.815 0.752 1.00 74.41 O ATOM 492 CB VAL A 30 15.064 -11.986 -1.913 1.00 25.33 C ATOM 493 CG1 VAL A 30 15.134 -13.341 -1.225 1.00 61.32 C ATOM 494 CG2 VAL A 30 14.661 -12.140 -3.371 1.00 42.55 C ATOM 0 H VAL A 30 15.018 -9.481 -2.197 1.00 31.22 H new ATOM 0 HA VAL A 30 13.064 -11.401 -1.356 1.00 31.23 H new ATOM 0 HB VAL A 30 16.056 -11.537 -1.880 1.00 25.33 H new ATOM 0 HG11 VAL A 30 15.833 -13.985 -1.759 1.00 61.32 H new ATOM 0 HG12 VAL A 30 15.474 -13.210 -0.198 1.00 61.32 H new ATOM 0 HG13 VAL A 30 14.145 -13.800 -1.224 1.00 61.32 H new ATOM 0 HG21 VAL A 30 15.366 -12.800 -3.876 1.00 42.55 H new ATOM 0 HG22 VAL A 30 13.660 -12.566 -3.429 1.00 42.55 H new ATOM 0 HG23 VAL A 30 14.668 -11.164 -3.856 1.00 42.55 H new ATOM 504 N GLU A 31 13.367 -11.477 1.102 1.00 42.21 N ATOM 505 CA GLU A 31 13.518 -11.564 2.550 1.00 70.24 C ATOM 506 C GLU A 31 13.215 -12.976 3.044 1.00 53.30 C ATOM 507 O GLU A 31 12.093 -13.464 2.911 1.00 2.52 O ATOM 508 CB GLU A 31 12.594 -10.560 3.242 1.00 24.04 C ATOM 509 CG GLU A 31 12.548 -10.717 4.753 1.00 24.00 C ATOM 510 CD GLU A 31 12.343 -9.397 5.471 1.00 74.23 C ATOM 511 OE1 GLU A 31 12.932 -8.387 5.033 1.00 12.42 O ATOM 512 OE2 GLU A 31 11.593 -9.375 6.469 1.00 2.32 O ATOM 0 H GLU A 31 12.438 -11.722 0.759 1.00 42.21 H new ATOM 0 HA GLU A 31 14.552 -11.325 2.798 1.00 70.24 H new ATOM 0 HB2 GLU A 31 12.923 -9.549 3.000 1.00 24.04 H new ATOM 0 HB3 GLU A 31 11.586 -10.671 2.843 1.00 24.04 H new ATOM 0 HG2 GLU A 31 11.741 -11.400 5.019 1.00 24.00 H new ATOM 0 HG3 GLU A 31 13.477 -11.172 5.096 1.00 24.00 H new ATOM 519 N ASN A 32 14.224 -13.626 3.614 1.00 32.21 N ATOM 520 CA ASN A 32 14.066 -14.982 4.128 1.00 63.24 C ATOM 521 C ASN A 32 13.414 -14.969 5.507 1.00 62.32 C ATOM 522 O ASN A 32 13.524 -13.993 6.248 1.00 13.51 O ATOM 523 CB ASN A 32 15.424 -15.684 4.200 1.00 42.54 C ATOM 524 CG ASN A 32 15.293 -17.194 4.246 1.00 42.44 C ATOM 525 OD1 ASN A 32 14.190 -17.735 4.172 1.00 12.31 O ATOM 526 ND2 ASN A 32 16.422 -17.882 4.368 1.00 4.21 N ATOM 0 H ASN A 32 15.159 -13.236 3.732 1.00 32.21 H new ATOM 0 HA ASN A 32 13.417 -15.529 3.444 1.00 63.24 H new ATOM 0 HB2 ASN A 32 16.023 -15.400 3.335 1.00 42.54 H new ATOM 0 HB3 ASN A 32 15.960 -15.342 5.085 1.00 42.54 H new ATOM 0 HD21 ASN A 32 16.397 -18.901 4.404 1.00 4.21 H new ATOM 0 HD22 ASN A 32 17.314 -17.391 4.426 1.00 4.21 H new ATOM 533 N VAL A 33 12.736 -16.061 5.845 1.00 72.31 N ATOM 534 CA VAL A 33 12.067 -16.177 7.135 1.00 23.05 C ATOM 535 C VAL A 33 12.671 -17.303 7.968 1.00 53.31 C ATOM 536 O VAL A 33 12.878 -17.156 9.173 1.00 73.44 O ATOM 537 CB VAL A 33 10.558 -16.432 6.965 1.00 51.21 C ATOM 538 CG1 VAL A 33 9.848 -15.161 6.525 1.00 40.50 C ATOM 539 CG2 VAL A 33 10.317 -17.558 5.971 1.00 41.11 C ATOM 0 H VAL A 33 12.636 -16.878 5.243 1.00 72.31 H new ATOM 0 HA VAL A 33 12.211 -15.228 7.652 1.00 23.05 H new ATOM 0 HB VAL A 33 10.147 -16.734 7.928 1.00 51.21 H new ATOM 0 HG11 VAL A 33 8.783 -15.361 6.410 1.00 40.50 H new ATOM 0 HG12 VAL A 33 9.993 -14.385 7.276 1.00 40.50 H new ATOM 0 HG13 VAL A 33 10.259 -14.826 5.573 1.00 40.50 H new ATOM 0 HG21 VAL A 33 9.245 -17.725 5.863 1.00 41.11 H new ATOM 0 HG22 VAL A 33 10.741 -17.287 5.004 1.00 41.11 H new ATOM 0 HG23 VAL A 33 10.792 -18.470 6.333 1.00 41.11 H new ATOM 549 N VAL A 34 12.952 -18.427 7.317 1.00 32.32 N ATOM 550 CA VAL A 34 13.534 -19.579 7.997 1.00 55.33 C ATOM 551 C VAL A 34 14.768 -19.179 8.797 1.00 50.31 C ATOM 552 O VAL A 34 15.046 -19.745 9.853 1.00 71.31 O ATOM 553 CB VAL A 34 13.920 -20.685 6.997 1.00 53.45 C ATOM 554 CG1 VAL A 34 12.688 -21.463 6.559 1.00 42.43 C ATOM 555 CG2 VAL A 34 14.639 -20.089 5.796 1.00 52.23 C ATOM 0 H VAL A 34 12.786 -18.565 6.320 1.00 32.32 H new ATOM 0 HA VAL A 34 12.773 -19.963 8.676 1.00 55.33 H new ATOM 0 HB VAL A 34 14.600 -21.378 7.492 1.00 53.45 H new ATOM 0 HG11 VAL A 34 12.980 -22.240 5.853 1.00 42.43 H new ATOM 0 HG12 VAL A 34 12.219 -21.922 7.429 1.00 42.43 H new ATOM 0 HG13 VAL A 34 11.981 -20.785 6.081 1.00 42.43 H new ATOM 0 HG21 VAL A 34 14.905 -20.884 5.099 1.00 52.23 H new ATOM 0 HG22 VAL A 34 13.984 -19.374 5.298 1.00 52.23 H new ATOM 0 HG23 VAL A 34 15.544 -19.581 6.129 1.00 52.23 H new ATOM 565 N ASN A 35 15.505 -18.198 8.286 1.00 3.12 N ATOM 566 CA ASN A 35 16.711 -17.721 8.954 1.00 63.35 C ATOM 567 C ASN A 35 16.389 -16.573 9.905 1.00 33.45 C ATOM 568 O ASN A 35 17.103 -16.342 10.880 1.00 41.21 O ATOM 569 CB ASN A 35 17.745 -17.267 7.921 1.00 70.20 C ATOM 570 CG ASN A 35 18.723 -18.368 7.559 1.00 30.32 C ATOM 571 OD1 ASN A 35 18.556 -19.519 7.962 1.00 31.44 O ATOM 572 ND2 ASN A 35 19.751 -18.019 6.795 1.00 42.40 N ATOM 0 H ASN A 35 15.289 -17.718 7.412 1.00 3.12 H new ATOM 0 HA ASN A 35 17.124 -18.545 9.535 1.00 63.35 H new ATOM 0 HB2 ASN A 35 17.231 -16.931 7.020 1.00 70.20 H new ATOM 0 HB3 ASN A 35 18.295 -16.411 8.313 1.00 70.20 H new ATOM 0 HD21 ASN A 35 20.442 -18.717 6.519 1.00 42.40 H new ATOM 0 HD22 ASN A 35 19.850 -17.053 6.484 1.00 42.40 H new ATOM 579 N GLY A 36 15.306 -15.858 9.616 1.00 43.44 N ATOM 580 CA GLY A 36 14.907 -14.743 10.455 1.00 44.00 C ATOM 581 C GLY A 36 15.564 -13.441 10.041 1.00 63.21 C ATOM 582 O GLY A 36 15.184 -12.368 10.509 1.00 35.01 O ATOM 0 H GLY A 36 14.698 -16.031 8.816 1.00 43.44 H new ATOM 0 HA2 GLY A 36 13.824 -14.629 10.412 1.00 44.00 H new ATOM 0 HA3 GLY A 36 15.164 -14.962 11.491 1.00 44.00 H new ATOM 586 N LYS A 37 16.556 -13.534 9.161 1.00 33.21 N ATOM 587 CA LYS A 37 17.268 -12.355 8.683 1.00 25.44 C ATOM 588 C LYS A 37 17.082 -12.179 7.180 1.00 60.12 C ATOM 589 O LYS A 37 17.244 -13.125 6.409 1.00 20.45 O ATOM 590 CB LYS A 37 18.759 -12.466 9.014 1.00 74.43 C ATOM 591 CG LYS A 37 19.612 -11.408 8.336 1.00 23.42 C ATOM 592 CD LYS A 37 19.189 -10.007 8.742 1.00 42.40 C ATOM 593 CE LYS A 37 20.368 -9.045 8.735 1.00 15.15 C ATOM 594 NZ LYS A 37 19.971 -7.679 9.177 1.00 22.11 N ATOM 0 H LYS A 37 16.885 -14.414 8.765 1.00 33.21 H new ATOM 0 HA LYS A 37 16.854 -11.482 9.187 1.00 25.44 H new ATOM 0 HB2 LYS A 37 18.890 -12.390 10.093 1.00 74.43 H new ATOM 0 HB3 LYS A 37 19.116 -13.453 8.719 1.00 74.43 H new ATOM 0 HG2 LYS A 37 20.659 -11.562 8.596 1.00 23.42 H new ATOM 0 HG3 LYS A 37 19.533 -11.514 7.254 1.00 23.42 H new ATOM 0 HD2 LYS A 37 18.419 -9.646 8.060 1.00 42.40 H new ATOM 0 HD3 LYS A 37 18.746 -10.034 9.737 1.00 42.40 H new ATOM 0 HE2 LYS A 37 21.151 -9.426 9.390 1.00 15.15 H new ATOM 0 HE3 LYS A 37 20.789 -8.994 7.731 1.00 15.15 H new ATOM 0 HZ1 LYS A 37 20.801 -7.053 9.159 1.00 22.11 H new ATOM 0 HZ2 LYS A 37 19.242 -7.305 8.537 1.00 22.11 H new ATOM 0 HZ3 LYS A 37 19.592 -7.724 10.145 1.00 22.11 H new ATOM 608 N SER A 38 16.742 -10.962 6.769 1.00 41.51 N ATOM 609 CA SER A 38 16.532 -10.662 5.357 1.00 35.14 C ATOM 610 C SER A 38 17.864 -10.480 4.636 1.00 14.32 C ATOM 611 O SER A 38 18.724 -9.720 5.080 1.00 4.14 O ATOM 612 CB SER A 38 15.678 -9.402 5.203 1.00 4.44 C ATOM 613 OG SER A 38 16.436 -8.236 5.478 1.00 64.14 O ATOM 0 H SER A 38 16.606 -10.167 7.394 1.00 41.51 H new ATOM 0 HA SER A 38 16.008 -11.504 4.906 1.00 35.14 H new ATOM 0 HB2 SER A 38 15.280 -9.350 4.190 1.00 4.44 H new ATOM 0 HB3 SER A 38 14.824 -9.453 5.879 1.00 4.44 H new ATOM 0 HG SER A 38 15.869 -7.444 5.371 1.00 64.14 H new ATOM 619 N VAL A 39 18.026 -11.183 3.520 1.00 41.32 N ATOM 620 CA VAL A 39 19.252 -11.099 2.735 1.00 0.31 C ATOM 621 C VAL A 39 18.945 -10.982 1.246 1.00 13.14 C ATOM 622 O VAL A 39 19.271 -11.872 0.463 1.00 61.23 O ATOM 623 CB VAL A 39 20.152 -12.327 2.967 1.00 4.33 C ATOM 624 CG1 VAL A 39 20.932 -12.180 4.265 1.00 11.42 C ATOM 625 CG2 VAL A 39 19.322 -13.601 2.976 1.00 63.41 C ATOM 0 H VAL A 39 17.324 -11.817 3.139 1.00 41.32 H new ATOM 0 HA VAL A 39 19.779 -10.204 3.066 1.00 0.31 H new ATOM 0 HB VAL A 39 20.867 -12.392 2.147 1.00 4.33 H new ATOM 0 HG11 VAL A 39 21.562 -13.057 4.412 1.00 11.42 H new ATOM 0 HG12 VAL A 39 21.557 -11.288 4.215 1.00 11.42 H new ATOM 0 HG13 VAL A 39 20.236 -12.089 5.099 1.00 11.42 H new ATOM 0 HG21 VAL A 39 19.974 -14.459 3.141 1.00 63.41 H new ATOM 0 HG22 VAL A 39 18.583 -13.548 3.775 1.00 63.41 H new ATOM 0 HG23 VAL A 39 18.814 -13.711 2.018 1.00 63.41 H new ATOM 635 N GLY A 40 18.314 -9.876 0.863 1.00 42.22 N ATOM 636 CA GLY A 40 17.973 -9.662 -0.532 1.00 23.04 C ATOM 637 C GLY A 40 17.564 -8.230 -0.815 1.00 75.53 C ATOM 638 O GLY A 40 16.706 -7.676 -0.129 1.00 0.41 O ATOM 0 H GLY A 40 18.033 -9.125 1.493 1.00 42.22 H new ATOM 0 HA2 GLY A 40 18.828 -9.923 -1.156 1.00 23.04 H new ATOM 0 HA3 GLY A 40 17.159 -10.331 -0.811 1.00 23.04 H new ATOM 642 N ALA A 41 18.179 -7.630 -1.829 1.00 31.31 N ATOM 643 CA ALA A 41 17.873 -6.255 -2.202 1.00 10.22 C ATOM 644 C ALA A 41 18.109 -6.024 -3.691 1.00 30.24 C ATOM 645 O ALA A 41 19.202 -6.271 -4.201 1.00 73.40 O ATOM 646 CB ALA A 41 18.708 -5.286 -1.377 1.00 35.31 C ATOM 0 H ALA A 41 18.892 -8.075 -2.407 1.00 31.31 H new ATOM 0 HA ALA A 41 16.818 -6.075 -1.996 1.00 10.22 H new ATOM 0 HB1 ALA A 41 18.469 -4.263 -1.666 1.00 35.31 H new ATOM 0 HB2 ALA A 41 18.487 -5.425 -0.319 1.00 35.31 H new ATOM 0 HB3 ALA A 41 19.767 -5.476 -1.555 1.00 35.31 H new ATOM 652 N ARG A 42 17.078 -5.550 -4.382 1.00 33.11 N ATOM 653 CA ARG A 42 17.173 -5.288 -5.813 1.00 31.20 C ATOM 654 C ARG A 42 16.192 -4.197 -6.232 1.00 71.35 C ATOM 655 O ARG A 42 15.173 -3.980 -5.577 1.00 54.22 O ATOM 656 CB ARG A 42 16.900 -6.567 -6.606 1.00 73.34 C ATOM 657 CG ARG A 42 18.156 -7.226 -7.152 1.00 3.30 C ATOM 658 CD ARG A 42 18.889 -6.311 -8.121 1.00 75.04 C ATOM 659 NE ARG A 42 19.948 -7.012 -8.841 1.00 24.20 N ATOM 660 CZ ARG A 42 20.932 -6.394 -9.486 1.00 31.42 C ATOM 661 NH1 ARG A 42 20.990 -5.070 -9.500 1.00 43.04 N ATOM 662 NH2 ARG A 42 21.860 -7.102 -10.117 1.00 51.14 N ATOM 0 H ARG A 42 16.167 -5.339 -3.974 1.00 33.11 H new ATOM 0 HA ARG A 42 18.185 -4.945 -6.028 1.00 31.20 H new ATOM 0 HB2 ARG A 42 16.377 -7.277 -5.965 1.00 73.34 H new ATOM 0 HB3 ARG A 42 16.232 -6.334 -7.436 1.00 73.34 H new ATOM 0 HG2 ARG A 42 18.818 -7.489 -6.327 1.00 3.30 H new ATOM 0 HG3 ARG A 42 17.891 -8.155 -7.657 1.00 3.30 H new ATOM 0 HD2 ARG A 42 18.178 -5.896 -8.836 1.00 75.04 H new ATOM 0 HD3 ARG A 42 19.317 -5.472 -7.573 1.00 75.04 H new ATOM 0 HE ARG A 42 19.932 -8.032 -8.849 1.00 24.20 H new ATOM 0 HH11 ARG A 42 20.278 -4.523 -9.015 1.00 43.04 H new ATOM 0 HH12 ARG A 42 21.746 -4.598 -9.996 1.00 43.04 H new ATOM 0 HH21 ARG A 42 21.818 -8.121 -10.107 1.00 51.14 H new ATOM 0 HH22 ARG A 42 22.615 -6.627 -10.612 1.00 51.14 H new ATOM 676 N ASP A 43 16.507 -3.515 -7.328 1.00 3.34 N ATOM 677 CA ASP A 43 15.654 -2.447 -7.835 1.00 51.31 C ATOM 678 C ASP A 43 15.224 -2.730 -9.271 1.00 64.42 C ATOM 679 O ASP A 43 15.989 -2.518 -10.212 1.00 40.44 O ATOM 680 CB ASP A 43 16.383 -1.104 -7.764 1.00 24.34 C ATOM 681 CG ASP A 43 16.665 -0.674 -6.338 1.00 3.25 C ATOM 682 OD1 ASP A 43 17.466 -1.352 -5.660 1.00 1.20 O ATOM 683 OD2 ASP A 43 16.086 0.342 -5.899 1.00 73.52 O ATOM 0 H ASP A 43 17.347 -3.683 -7.882 1.00 3.34 H new ATOM 0 HA ASP A 43 14.763 -2.401 -7.209 1.00 51.31 H new ATOM 0 HB2 ASP A 43 17.323 -1.174 -8.312 1.00 24.34 H new ATOM 0 HB3 ASP A 43 15.782 -0.341 -8.259 1.00 24.34 H new ATOM 688 N PHE A 44 13.997 -3.213 -9.432 1.00 13.12 N ATOM 689 CA PHE A 44 13.466 -3.528 -10.753 1.00 11.00 C ATOM 690 C PHE A 44 12.723 -2.332 -11.340 1.00 53.41 C ATOM 691 O PHE A 44 12.637 -1.273 -10.717 1.00 21.54 O ATOM 692 CB PHE A 44 12.530 -4.736 -10.675 1.00 51.11 C ATOM 693 CG PHE A 44 13.242 -6.054 -10.785 1.00 52.14 C ATOM 694 CD1 PHE A 44 14.416 -6.283 -10.086 1.00 50.24 C ATOM 695 CD2 PHE A 44 12.737 -7.064 -11.589 1.00 11.24 C ATOM 696 CE1 PHE A 44 15.073 -7.495 -10.185 1.00 44.44 C ATOM 697 CE2 PHE A 44 13.390 -8.278 -11.691 1.00 54.32 C ATOM 698 CZ PHE A 44 14.560 -8.493 -10.990 1.00 11.03 C ATOM 0 H PHE A 44 13.351 -3.395 -8.664 1.00 13.12 H new ATOM 0 HA PHE A 44 14.305 -3.768 -11.406 1.00 11.00 H new ATOM 0 HB2 PHE A 44 11.986 -4.704 -9.731 1.00 51.11 H new ATOM 0 HB3 PHE A 44 11.790 -4.664 -11.472 1.00 51.11 H new ATOM 0 HD1 PHE A 44 14.823 -5.505 -9.456 1.00 50.24 H new ATOM 0 HD2 PHE A 44 11.824 -6.901 -12.142 1.00 11.24 H new ATOM 0 HE1 PHE A 44 15.987 -7.661 -9.633 1.00 44.44 H new ATOM 0 HE2 PHE A 44 12.985 -9.058 -12.319 1.00 54.32 H new ATOM 0 HZ PHE A 44 15.073 -9.440 -11.071 1.00 11.03 H new ATOM 708 N ASP A 45 12.188 -2.508 -12.543 1.00 53.42 N ATOM 709 CA ASP A 45 11.451 -1.444 -13.216 1.00 2.45 C ATOM 710 C ASP A 45 10.091 -1.943 -13.694 1.00 44.43 C ATOM 711 O ASP A 45 9.071 -1.286 -13.489 1.00 53.11 O ATOM 712 CB ASP A 45 12.257 -0.906 -14.399 1.00 53.13 C ATOM 713 CG ASP A 45 11.556 0.239 -15.104 1.00 2.32 C ATOM 714 OD1 ASP A 45 10.625 0.820 -14.509 1.00 54.20 O ATOM 715 OD2 ASP A 45 11.939 0.554 -16.250 1.00 40.13 O ATOM 0 H ASP A 45 12.251 -3.377 -13.073 1.00 53.42 H new ATOM 0 HA ASP A 45 11.290 -0.638 -12.500 1.00 2.45 H new ATOM 0 HB2 ASP A 45 13.232 -0.570 -14.047 1.00 53.13 H new ATOM 0 HB3 ASP A 45 12.435 -1.712 -15.110 1.00 53.13 H new ATOM 720 N SER A 46 10.086 -3.108 -14.334 1.00 50.31 N ATOM 721 CA SER A 46 8.852 -3.693 -14.847 1.00 5.44 C ATOM 722 C SER A 46 8.483 -4.951 -14.067 1.00 12.33 C ATOM 723 O SER A 46 9.353 -5.670 -13.575 1.00 44.12 O ATOM 724 CB SER A 46 9.000 -4.025 -16.333 1.00 13.13 C ATOM 725 OG SER A 46 9.727 -3.016 -17.011 1.00 42.23 O ATOM 0 H SER A 46 10.922 -3.665 -14.510 1.00 50.31 H new ATOM 0 HA SER A 46 8.053 -2.962 -14.723 1.00 5.44 H new ATOM 0 HB2 SER A 46 9.509 -4.982 -16.446 1.00 13.13 H new ATOM 0 HB3 SER A 46 8.014 -4.133 -16.785 1.00 13.13 H new ATOM 0 HG SER A 46 9.809 -3.253 -17.958 1.00 42.23 H new ATOM 731 N THR A 47 7.184 -5.211 -13.957 1.00 34.01 N ATOM 732 CA THR A 47 6.697 -6.381 -13.236 1.00 52.44 C ATOM 733 C THR A 47 6.977 -7.661 -14.014 1.00 72.42 C ATOM 734 O THR A 47 7.167 -8.726 -13.426 1.00 50.55 O ATOM 735 CB THR A 47 5.185 -6.281 -12.961 1.00 34.24 C ATOM 736 OG1 THR A 47 4.795 -7.273 -12.004 1.00 72.23 O ATOM 737 CG2 THR A 47 4.387 -6.465 -14.243 1.00 43.21 C ATOM 0 H THR A 47 6.450 -4.627 -14.358 1.00 34.01 H new ATOM 0 HA THR A 47 7.230 -6.412 -12.286 1.00 52.44 H new ATOM 0 HB THR A 47 4.976 -5.288 -12.562 1.00 34.24 H new ATOM 0 HG1 THR A 47 3.833 -7.202 -11.833 1.00 72.23 H new ATOM 0 HG21 THR A 47 3.322 -6.390 -14.023 1.00 43.21 H new ATOM 0 HG22 THR A 47 4.665 -5.691 -14.959 1.00 43.21 H new ATOM 0 HG23 THR A 47 4.602 -7.446 -14.668 1.00 43.21 H new ATOM 745 N GLU A 48 7.001 -7.551 -15.339 1.00 1.32 N ATOM 746 CA GLU A 48 7.258 -8.702 -16.196 1.00 41.22 C ATOM 747 C GLU A 48 8.587 -9.361 -15.838 1.00 40.12 C ATOM 748 O GLU A 48 8.643 -10.561 -15.570 1.00 44.32 O ATOM 749 CB GLU A 48 7.266 -8.279 -17.667 1.00 11.23 C ATOM 750 CG GLU A 48 7.068 -9.434 -18.633 1.00 74.14 C ATOM 751 CD GLU A 48 7.130 -8.998 -20.084 1.00 43.04 C ATOM 752 OE1 GLU A 48 8.187 -8.483 -20.504 1.00 43.15 O ATOM 753 OE2 GLU A 48 6.122 -9.173 -20.800 1.00 15.52 O ATOM 0 H GLU A 48 6.846 -6.677 -15.841 1.00 1.32 H new ATOM 0 HA GLU A 48 6.459 -9.426 -16.038 1.00 41.22 H new ATOM 0 HB2 GLU A 48 6.479 -7.542 -17.829 1.00 11.23 H new ATOM 0 HB3 GLU A 48 8.213 -7.788 -17.890 1.00 11.23 H new ATOM 0 HG2 GLU A 48 7.832 -10.190 -18.452 1.00 74.14 H new ATOM 0 HG3 GLU A 48 6.103 -9.903 -18.439 1.00 74.14 H new ATOM 760 N GLN A 49 9.653 -8.567 -15.837 1.00 21.20 N ATOM 761 CA GLN A 49 10.982 -9.074 -15.513 1.00 54.24 C ATOM 762 C GLN A 49 11.029 -9.603 -14.084 1.00 20.30 C ATOM 763 O GLN A 49 11.859 -10.451 -13.752 1.00 1.42 O ATOM 764 CB GLN A 49 12.029 -7.974 -15.697 1.00 54.15 C ATOM 765 CG GLN A 49 11.659 -6.663 -15.023 1.00 55.42 C ATOM 766 CD GLN A 49 12.846 -5.735 -14.859 1.00 63.04 C ATOM 767 OE1 GLN A 49 12.797 -4.569 -15.251 1.00 54.32 O ATOM 768 NE2 GLN A 49 13.924 -6.249 -14.278 1.00 34.33 N ATOM 0 H GLN A 49 9.623 -7.571 -16.057 1.00 21.20 H new ATOM 0 HA GLN A 49 11.206 -9.896 -16.193 1.00 54.24 H new ATOM 0 HB2 GLN A 49 12.982 -8.321 -15.299 1.00 54.15 H new ATOM 0 HB3 GLN A 49 12.174 -7.797 -16.763 1.00 54.15 H new ATOM 0 HG2 GLN A 49 10.889 -6.162 -15.610 1.00 55.42 H new ATOM 0 HG3 GLN A 49 11.228 -6.871 -14.044 1.00 55.42 H new ATOM 0 HE21 GLN A 49 13.922 -7.221 -13.968 1.00 34.33 H new ATOM 0 HE22 GLN A 49 14.754 -5.672 -14.142 1.00 34.33 H new ATOM 777 N LEU A 50 10.134 -9.099 -13.242 1.00 3.14 N ATOM 778 CA LEU A 50 10.074 -9.521 -11.846 1.00 51.15 C ATOM 779 C LEU A 50 9.492 -10.926 -11.727 1.00 53.32 C ATOM 780 O LEU A 50 10.166 -11.851 -11.276 1.00 43.41 O ATOM 781 CB LEU A 50 9.233 -8.537 -11.031 1.00 74.05 C ATOM 782 CG LEU A 50 9.497 -8.515 -9.526 1.00 1.24 C ATOM 783 CD1 LEU A 50 8.826 -7.310 -8.884 1.00 24.34 C ATOM 784 CD2 LEU A 50 9.012 -9.805 -8.880 1.00 2.42 C ATOM 0 H LEU A 50 9.440 -8.398 -13.501 1.00 3.14 H new ATOM 0 HA LEU A 50 11.090 -9.534 -11.452 1.00 51.15 H new ATOM 0 HB2 LEU A 50 9.401 -7.534 -11.424 1.00 74.05 H new ATOM 0 HB3 LEU A 50 8.180 -8.770 -11.192 1.00 74.05 H new ATOM 0 HG LEU A 50 10.572 -8.434 -9.366 1.00 1.24 H new ATOM 0 HD11 LEU A 50 9.025 -7.311 -7.812 1.00 24.34 H new ATOM 0 HD12 LEU A 50 9.221 -6.395 -9.326 1.00 24.34 H new ATOM 0 HD13 LEU A 50 7.750 -7.359 -9.053 1.00 24.34 H new ATOM 0 HD21 LEU A 50 9.208 -9.771 -7.808 1.00 2.42 H new ATOM 0 HD22 LEU A 50 7.941 -9.917 -9.049 1.00 2.42 H new ATOM 0 HD23 LEU A 50 9.539 -10.652 -9.319 1.00 2.42 H new ATOM 796 N GLU A 51 8.236 -11.077 -12.137 1.00 21.31 N ATOM 797 CA GLU A 51 7.565 -12.370 -12.077 1.00 35.22 C ATOM 798 C GLU A 51 8.291 -13.401 -12.935 1.00 63.25 C ATOM 799 O GLU A 51 8.291 -14.593 -12.627 1.00 52.10 O ATOM 800 CB GLU A 51 6.112 -12.237 -12.540 1.00 22.43 C ATOM 801 CG GLU A 51 5.952 -11.428 -13.815 1.00 54.24 C ATOM 802 CD GLU A 51 4.936 -12.031 -14.765 1.00 75.45 C ATOM 803 OE1 GLU A 51 5.267 -13.034 -15.431 1.00 64.31 O ATOM 804 OE2 GLU A 51 3.808 -11.500 -14.843 1.00 32.22 O ATOM 0 H GLU A 51 7.664 -10.321 -12.514 1.00 21.31 H new ATOM 0 HA GLU A 51 7.580 -12.710 -11.042 1.00 35.22 H new ATOM 0 HB2 GLU A 51 5.697 -13.233 -12.697 1.00 22.43 H new ATOM 0 HB3 GLU A 51 5.528 -11.769 -11.747 1.00 22.43 H new ATOM 0 HG2 GLU A 51 5.648 -10.413 -13.561 1.00 54.24 H new ATOM 0 HG3 GLU A 51 6.916 -11.356 -14.318 1.00 54.24 H new ATOM 811 N SER A 52 8.910 -12.933 -14.015 1.00 31.31 N ATOM 812 CA SER A 52 9.637 -13.814 -14.921 1.00 60.33 C ATOM 813 C SER A 52 10.992 -14.199 -14.335 1.00 1.52 C ATOM 814 O SER A 52 11.555 -15.240 -14.674 1.00 55.30 O ATOM 815 CB SER A 52 9.830 -13.137 -16.279 1.00 50.24 C ATOM 816 OG SER A 52 10.154 -14.085 -17.281 1.00 24.30 O ATOM 0 H SER A 52 8.922 -11.949 -14.283 1.00 31.31 H new ATOM 0 HA SER A 52 9.048 -14.721 -15.055 1.00 60.33 H new ATOM 0 HB2 SER A 52 8.919 -12.607 -16.557 1.00 50.24 H new ATOM 0 HB3 SER A 52 10.623 -12.393 -16.208 1.00 50.24 H new ATOM 0 HG SER A 52 10.271 -13.627 -18.139 1.00 24.30 H new ATOM 822 N TRP A 53 11.510 -13.351 -13.454 1.00 13.44 N ATOM 823 CA TRP A 53 12.799 -13.600 -12.819 1.00 61.41 C ATOM 824 C TRP A 53 12.712 -14.778 -11.854 1.00 51.41 C ATOM 825 O TRP A 53 13.558 -15.672 -11.873 1.00 0.14 O ATOM 826 CB TRP A 53 13.276 -12.351 -12.077 1.00 40.10 C ATOM 827 CG TRP A 53 14.116 -12.659 -10.875 1.00 3.43 C ATOM 828 CD1 TRP A 53 13.872 -12.281 -9.585 1.00 52.44 C ATOM 829 CD2 TRP A 53 15.337 -13.406 -10.851 1.00 60.40 C ATOM 830 NE1 TRP A 53 14.867 -12.748 -8.761 1.00 60.45 N ATOM 831 CE2 TRP A 53 15.777 -13.443 -9.513 1.00 44.14 C ATOM 832 CE3 TRP A 53 16.100 -14.050 -11.829 1.00 32.52 C ATOM 833 CZ2 TRP A 53 16.946 -14.097 -9.132 1.00 40.34 C ATOM 834 CZ3 TRP A 53 17.260 -14.699 -11.449 1.00 54.30 C ATOM 835 CH2 TRP A 53 17.673 -14.719 -10.110 1.00 44.34 C ATOM 0 H TRP A 53 11.057 -12.485 -13.163 1.00 13.44 H new ATOM 0 HA TRP A 53 13.519 -13.846 -13.600 1.00 61.41 H new ATOM 0 HB2 TRP A 53 13.850 -11.727 -12.762 1.00 40.10 H new ATOM 0 HB3 TRP A 53 12.409 -11.769 -11.766 1.00 40.10 H new ATOM 0 HD1 TRP A 53 13.021 -11.700 -9.261 1.00 52.44 H new ATOM 0 HE1 TRP A 53 14.920 -12.601 -7.753 1.00 60.45 H new ATOM 0 HE3 TRP A 53 15.789 -14.041 -12.863 1.00 32.52 H new ATOM 0 HZ2 TRP A 53 17.267 -14.113 -8.101 1.00 40.34 H new ATOM 0 HZ3 TRP A 53 17.858 -15.199 -12.197 1.00 54.30 H new ATOM 0 HH2 TRP A 53 18.583 -15.236 -9.845 1.00 44.34 H new ATOM 846 N PHE A 54 11.684 -14.772 -11.012 1.00 20.11 N ATOM 847 CA PHE A 54 11.487 -15.840 -10.039 1.00 3.04 C ATOM 848 C PHE A 54 10.998 -17.114 -10.721 1.00 24.43 C ATOM 849 O PHE A 54 10.911 -18.172 -10.096 1.00 2.31 O ATOM 850 CB PHE A 54 10.485 -15.405 -8.968 1.00 0.43 C ATOM 851 CG PHE A 54 10.121 -16.500 -8.006 1.00 43.23 C ATOM 852 CD1 PHE A 54 11.062 -17.006 -7.124 1.00 64.13 C ATOM 853 CD2 PHE A 54 8.838 -17.023 -7.984 1.00 44.42 C ATOM 854 CE1 PHE A 54 10.730 -18.014 -6.239 1.00 64.53 C ATOM 855 CE2 PHE A 54 8.501 -18.031 -7.101 1.00 55.21 C ATOM 856 CZ PHE A 54 9.448 -18.527 -6.227 1.00 13.42 C ATOM 0 H PHE A 54 10.975 -14.040 -10.984 1.00 20.11 H new ATOM 0 HA PHE A 54 12.447 -16.047 -9.566 1.00 3.04 H new ATOM 0 HB2 PHE A 54 10.903 -14.567 -8.410 1.00 0.43 H new ATOM 0 HB3 PHE A 54 9.579 -15.044 -9.455 1.00 0.43 H new ATOM 0 HD1 PHE A 54 12.066 -16.608 -7.128 1.00 64.13 H new ATOM 0 HD2 PHE A 54 8.093 -16.638 -8.665 1.00 44.42 H new ATOM 0 HE1 PHE A 54 11.473 -18.400 -5.557 1.00 64.53 H new ATOM 0 HE2 PHE A 54 7.498 -18.431 -7.094 1.00 55.21 H new ATOM 0 HZ PHE A 54 9.187 -19.314 -5.536 1.00 13.42 H new ATOM 866 N TYR A 55 10.680 -17.005 -12.006 1.00 24.42 N ATOM 867 CA TYR A 55 10.197 -18.147 -12.773 1.00 62.30 C ATOM 868 C TYR A 55 11.283 -18.676 -13.705 1.00 22.31 C ATOM 869 O TYR A 55 11.242 -19.828 -14.134 1.00 73.34 O ATOM 870 CB TYR A 55 8.960 -17.757 -13.583 1.00 72.23 C ATOM 871 CG TYR A 55 8.589 -18.767 -14.646 1.00 41.42 C ATOM 872 CD1 TYR A 55 9.153 -18.709 -15.914 1.00 42.45 C ATOM 873 CD2 TYR A 55 7.675 -19.779 -14.381 1.00 61.35 C ATOM 874 CE1 TYR A 55 8.817 -19.628 -16.889 1.00 33.33 C ATOM 875 CE2 TYR A 55 7.334 -20.704 -15.349 1.00 73.32 C ATOM 876 CZ TYR A 55 7.907 -20.624 -16.601 1.00 72.32 C ATOM 877 OH TYR A 55 7.570 -21.543 -17.569 1.00 30.35 O ATOM 0 H TYR A 55 10.748 -16.138 -12.538 1.00 24.42 H new ATOM 0 HA TYR A 55 9.930 -18.937 -12.071 1.00 62.30 H new ATOM 0 HB2 TYR A 55 8.117 -17.630 -12.904 1.00 72.23 H new ATOM 0 HB3 TYR A 55 9.136 -16.791 -14.057 1.00 72.23 H new ATOM 0 HD1 TYR A 55 9.867 -17.931 -16.142 1.00 42.45 H new ATOM 0 HD2 TYR A 55 7.223 -19.844 -13.402 1.00 61.35 H new ATOM 0 HE1 TYR A 55 9.264 -19.567 -17.870 1.00 33.33 H new ATOM 0 HE2 TYR A 55 6.623 -21.486 -15.126 1.00 73.32 H new ATOM 0 HH TYR A 55 6.918 -22.178 -17.205 1.00 30.35 H new ATOM 887 N GLY A 56 12.256 -17.824 -14.013 1.00 63.11 N ATOM 888 CA GLY A 56 13.341 -18.222 -14.891 1.00 74.54 C ATOM 889 C GLY A 56 14.536 -18.760 -14.130 1.00 10.12 C ATOM 890 O GLY A 56 15.682 -18.553 -14.531 1.00 51.35 O ATOM 0 H GLY A 56 12.312 -16.865 -13.670 1.00 63.11 H new ATOM 0 HA2 GLY A 56 12.983 -18.983 -15.584 1.00 74.54 H new ATOM 0 HA3 GLY A 56 13.651 -17.366 -15.491 1.00 74.54 H new ATOM 894 N LEU A 57 14.271 -19.451 -13.027 1.00 14.44 N ATOM 895 CA LEU A 57 15.334 -20.018 -12.205 1.00 60.40 C ATOM 896 C LEU A 57 15.331 -21.542 -12.287 1.00 43.53 C ATOM 897 O LEU A 57 14.314 -22.170 -12.580 1.00 31.13 O ATOM 898 CB LEU A 57 15.173 -19.575 -10.750 1.00 4.40 C ATOM 899 CG LEU A 57 15.498 -18.110 -10.455 1.00 44.23 C ATOM 900 CD1 LEU A 57 15.068 -17.741 -9.044 1.00 52.12 C ATOM 901 CD2 LEU A 57 16.984 -17.844 -10.648 1.00 43.11 C ATOM 0 H LEU A 57 13.329 -19.632 -12.681 1.00 14.44 H new ATOM 0 HA LEU A 57 16.288 -19.653 -12.586 1.00 60.40 H new ATOM 0 HB2 LEU A 57 14.145 -19.767 -10.444 1.00 4.40 H new ATOM 0 HB3 LEU A 57 15.813 -20.201 -10.128 1.00 4.40 H new ATOM 0 HG LEU A 57 14.943 -17.487 -11.156 1.00 44.23 H new ATOM 0 HD11 LEU A 57 15.307 -16.695 -8.853 1.00 52.12 H new ATOM 0 HD12 LEU A 57 13.994 -17.892 -8.940 1.00 52.12 H new ATOM 0 HD13 LEU A 57 15.594 -18.371 -8.327 1.00 52.12 H new ATOM 0 HD21 LEU A 57 17.197 -16.797 -10.434 1.00 43.11 H new ATOM 0 HD22 LEU A 57 17.558 -18.477 -9.971 1.00 43.11 H new ATOM 0 HD23 LEU A 57 17.263 -18.068 -11.678 1.00 43.11 H new ATOM 913 N PRO A 58 16.496 -22.151 -12.021 1.00 43.24 N ATOM 914 CA PRO A 58 16.654 -23.608 -12.056 1.00 54.22 C ATOM 915 C PRO A 58 15.919 -24.298 -10.912 1.00 1.33 C ATOM 916 O PRO A 58 15.188 -25.264 -11.123 1.00 72.04 O ATOM 917 CB PRO A 58 18.165 -23.805 -11.917 1.00 42.24 C ATOM 918 CG PRO A 58 18.643 -22.584 -11.209 1.00 72.40 C ATOM 919 CD PRO A 58 17.749 -21.464 -11.666 1.00 25.33 C ATOM 0 HA PRO A 58 16.236 -24.041 -12.965 1.00 54.22 H new ATOM 0 HB2 PRO A 58 18.396 -24.707 -11.350 1.00 42.24 H new ATOM 0 HB3 PRO A 58 18.642 -23.910 -12.892 1.00 42.24 H new ATOM 0 HG2 PRO A 58 18.586 -22.712 -10.128 1.00 72.40 H new ATOM 0 HG3 PRO A 58 19.685 -22.375 -11.451 1.00 72.40 H new ATOM 0 HD2 PRO A 58 17.594 -20.727 -10.878 1.00 25.33 H new ATOM 0 HD3 PRO A 58 18.173 -20.934 -12.519 1.00 25.33 H new ATOM 927 N GLY A 59 16.119 -23.794 -9.697 1.00 72.13 N ATOM 928 CA GLY A 59 15.468 -24.375 -8.537 1.00 41.43 C ATOM 929 C GLY A 59 13.967 -24.493 -8.713 1.00 62.34 C ATOM 930 O GLY A 59 13.412 -24.014 -9.702 1.00 35.32 O ATOM 0 H GLY A 59 16.720 -22.995 -9.496 1.00 72.13 H new ATOM 0 HA2 GLY A 59 15.887 -25.363 -8.346 1.00 41.43 H new ATOM 0 HA3 GLY A 59 15.681 -23.763 -7.660 1.00 41.43 H new ATOM 934 N SER A 60 13.309 -25.135 -7.753 1.00 42.11 N ATOM 935 CA SER A 60 11.864 -25.320 -7.809 1.00 71.22 C ATOM 936 C SER A 60 11.207 -24.865 -6.509 1.00 60.35 C ATOM 937 O SER A 60 11.154 -25.612 -5.533 1.00 51.02 O ATOM 938 CB SER A 60 11.527 -26.788 -8.078 1.00 33.12 C ATOM 939 OG SER A 60 11.587 -27.080 -9.463 1.00 50.02 O ATOM 0 H SER A 60 13.754 -25.536 -6.927 1.00 42.11 H new ATOM 0 HA SER A 60 11.475 -24.710 -8.625 1.00 71.22 H new ATOM 0 HB2 SER A 60 12.224 -27.429 -7.538 1.00 33.12 H new ATOM 0 HB3 SER A 60 10.529 -27.011 -7.699 1.00 33.12 H new ATOM 0 HG SER A 60 11.369 -28.024 -9.608 1.00 50.02 H new ATOM 945 N GLY A 61 10.707 -23.633 -6.506 1.00 23.12 N ATOM 946 CA GLY A 61 10.061 -23.098 -5.322 1.00 34.53 C ATOM 947 C GLY A 61 10.979 -23.084 -4.116 1.00 42.41 C ATOM 948 O GLY A 61 11.822 -22.196 -3.979 1.00 51.31 O ATOM 0 H GLY A 61 10.738 -22.996 -7.302 1.00 23.12 H new ATOM 0 HA2 GLY A 61 9.719 -22.083 -5.526 1.00 34.53 H new ATOM 0 HA3 GLY A 61 9.177 -23.693 -5.094 1.00 34.53 H new ATOM 952 N LEU A 62 10.817 -24.067 -3.238 1.00 74.44 N ATOM 953 CA LEU A 62 11.637 -24.164 -2.036 1.00 43.42 C ATOM 954 C LEU A 62 13.107 -24.362 -2.394 1.00 53.54 C ATOM 955 O LEU A 62 13.991 -24.170 -1.561 1.00 13.15 O ATOM 956 CB LEU A 62 11.155 -25.319 -1.157 1.00 10.53 C ATOM 957 CG LEU A 62 9.838 -25.092 -0.414 1.00 11.33 C ATOM 958 CD1 LEU A 62 8.766 -26.040 -0.926 1.00 74.43 C ATOM 959 CD2 LEU A 62 10.034 -25.266 1.085 1.00 3.32 C ATOM 0 H LEU A 62 10.124 -24.809 -3.336 1.00 74.44 H new ATOM 0 HA LEU A 62 11.539 -23.230 -1.483 1.00 43.42 H new ATOM 0 HB2 LEU A 62 11.048 -26.205 -1.783 1.00 10.53 H new ATOM 0 HB3 LEU A 62 11.930 -25.539 -0.423 1.00 10.53 H new ATOM 0 HG LEU A 62 9.510 -24.070 -0.601 1.00 11.33 H new ATOM 0 HD11 LEU A 62 7.836 -25.864 -0.385 1.00 74.43 H new ATOM 0 HD12 LEU A 62 8.606 -25.867 -1.990 1.00 74.43 H new ATOM 0 HD13 LEU A 62 9.087 -27.070 -0.770 1.00 74.43 H new ATOM 0 HD21 LEU A 62 9.086 -25.101 1.597 1.00 3.32 H new ATOM 0 HD22 LEU A 62 10.386 -26.277 1.291 1.00 3.32 H new ATOM 0 HD23 LEU A 62 10.770 -24.545 1.442 1.00 3.32 H new ATOM 971 N GLY A 63 13.360 -24.745 -3.642 1.00 42.42 N ATOM 972 CA GLY A 63 14.724 -24.960 -4.090 1.00 12.24 C ATOM 973 C GLY A 63 15.367 -23.693 -4.618 1.00 25.22 C ATOM 974 O GLY A 63 16.484 -23.348 -4.231 1.00 22.52 O ATOM 0 H GLY A 63 12.645 -24.910 -4.351 1.00 42.42 H new ATOM 0 HA2 GLY A 63 15.318 -25.348 -3.262 1.00 12.24 H new ATOM 0 HA3 GLY A 63 14.731 -25.720 -4.871 1.00 12.24 H new ATOM 978 N ARG A 64 14.663 -22.999 -5.506 1.00 31.15 N ATOM 979 CA ARG A 64 15.174 -21.765 -6.090 1.00 32.01 C ATOM 980 C ARG A 64 15.415 -20.712 -5.012 1.00 61.21 C ATOM 981 O ARG A 64 16.137 -19.739 -5.232 1.00 13.01 O ATOM 982 CB ARG A 64 14.194 -21.226 -7.134 1.00 30.21 C ATOM 983 CG ARG A 64 12.780 -21.047 -6.607 1.00 33.33 C ATOM 984 CD ARG A 64 11.810 -20.690 -7.722 1.00 43.55 C ATOM 985 NE ARG A 64 11.573 -21.814 -8.623 1.00 64.42 N ATOM 986 CZ ARG A 64 10.621 -21.827 -9.549 1.00 51.50 C ATOM 987 NH1 ARG A 64 9.821 -20.779 -9.696 1.00 32.55 N ATOM 988 NH2 ARG A 64 10.468 -22.887 -10.331 1.00 75.50 N ATOM 0 H ARG A 64 13.737 -23.270 -5.837 1.00 31.15 H new ATOM 0 HA ARG A 64 16.125 -21.988 -6.574 1.00 32.01 H new ATOM 0 HB2 ARG A 64 14.559 -20.267 -7.502 1.00 30.21 H new ATOM 0 HB3 ARG A 64 14.172 -21.907 -7.985 1.00 30.21 H new ATOM 0 HG2 ARG A 64 12.453 -21.966 -6.120 1.00 33.33 H new ATOM 0 HG3 ARG A 64 12.770 -20.263 -5.850 1.00 33.33 H new ATOM 0 HD2 ARG A 64 10.863 -20.367 -7.289 1.00 43.55 H new ATOM 0 HD3 ARG A 64 12.205 -19.848 -8.290 1.00 43.55 H new ATOM 0 HE ARG A 64 12.172 -22.635 -8.537 1.00 64.42 H new ATOM 0 HH11 ARG A 64 9.936 -19.961 -9.097 1.00 32.55 H new ATOM 0 HH12 ARG A 64 9.090 -20.791 -10.408 1.00 32.55 H new ATOM 0 HH21 ARG A 64 11.082 -23.694 -10.222 1.00 75.50 H new ATOM 0 HH22 ARG A 64 9.736 -22.895 -11.042 1.00 75.50 H new ATOM 1002 N ILE A 65 14.806 -20.914 -3.848 1.00 64.14 N ATOM 1003 CA ILE A 65 14.956 -19.983 -2.737 1.00 53.11 C ATOM 1004 C ILE A 65 16.425 -19.672 -2.474 1.00 23.54 C ATOM 1005 O ILE A 65 16.765 -18.591 -1.995 1.00 52.25 O ATOM 1006 CB ILE A 65 14.321 -20.538 -1.448 1.00 52.23 C ATOM 1007 CG1 ILE A 65 12.797 -20.577 -1.581 1.00 20.34 C ATOM 1008 CG2 ILE A 65 14.732 -19.696 -0.250 1.00 43.40 C ATOM 1009 CD1 ILE A 65 12.070 -20.266 -0.291 1.00 23.41 C ATOM 0 H ILE A 65 14.205 -21.714 -3.650 1.00 64.14 H new ATOM 0 HA ILE A 65 14.439 -19.067 -3.022 1.00 53.11 H new ATOM 0 HB ILE A 65 14.680 -21.555 -1.292 1.00 52.23 H new ATOM 0 HG12 ILE A 65 12.488 -19.862 -2.344 1.00 20.34 H new ATOM 0 HG13 ILE A 65 12.496 -21.565 -1.929 1.00 20.34 H new ATOM 0 HG21 ILE A 65 14.275 -20.101 0.653 1.00 43.40 H new ATOM 0 HG22 ILE A 65 15.817 -19.714 -0.147 1.00 43.40 H new ATOM 0 HG23 ILE A 65 14.399 -18.669 -0.396 1.00 43.40 H new ATOM 0 HD11 ILE A 65 10.994 -20.312 -0.460 1.00 23.41 H new ATOM 0 HD12 ILE A 65 12.350 -20.995 0.469 1.00 23.41 H new ATOM 0 HD13 ILE A 65 12.342 -19.266 0.048 1.00 23.41 H new ATOM 1021 N GLU A 66 17.293 -20.629 -2.791 1.00 14.22 N ATOM 1022 CA GLU A 66 18.726 -20.456 -2.589 1.00 24.31 C ATOM 1023 C GLU A 66 19.352 -19.697 -3.755 1.00 5.52 C ATOM 1024 O GLU A 66 20.272 -18.901 -3.568 1.00 52.45 O ATOM 1025 CB GLU A 66 19.408 -21.816 -2.427 1.00 64.42 C ATOM 1026 CG GLU A 66 19.376 -22.667 -3.686 1.00 3.11 C ATOM 1027 CD GLU A 66 19.206 -24.144 -3.388 1.00 3.12 C ATOM 1028 OE1 GLU A 66 19.580 -24.571 -2.275 1.00 42.22 O ATOM 1029 OE2 GLU A 66 18.700 -24.873 -4.266 1.00 42.33 O ATOM 0 H GLU A 66 17.028 -21.530 -3.188 1.00 14.22 H new ATOM 0 HA GLU A 66 18.871 -19.874 -1.679 1.00 24.31 H new ATOM 0 HB2 GLU A 66 20.445 -21.660 -2.130 1.00 64.42 H new ATOM 0 HB3 GLU A 66 18.924 -22.362 -1.617 1.00 64.42 H new ATOM 0 HG2 GLU A 66 18.559 -22.333 -4.325 1.00 3.11 H new ATOM 0 HG3 GLU A 66 20.300 -22.517 -4.245 1.00 3.11 H new ATOM 1036 N ASN A 67 18.847 -19.949 -4.958 1.00 21.52 N ATOM 1037 CA ASN A 67 19.357 -19.291 -6.155 1.00 11.31 C ATOM 1038 C ASN A 67 18.873 -17.846 -6.229 1.00 14.11 C ATOM 1039 O ASN A 67 19.674 -16.915 -6.305 1.00 31.10 O ATOM 1040 CB ASN A 67 18.918 -20.052 -7.407 1.00 62.24 C ATOM 1041 CG ASN A 67 20.067 -20.301 -8.365 1.00 44.42 C ATOM 1042 OD1 ASN A 67 20.486 -19.403 -9.096 1.00 2.31 O ATOM 1043 ND2 ASN A 67 20.583 -21.524 -8.366 1.00 31.52 N ATOM 0 H ASN A 67 18.085 -20.605 -5.130 1.00 21.52 H new ATOM 0 HA ASN A 67 20.446 -19.289 -6.102 1.00 11.31 H new ATOM 0 HB2 ASN A 67 18.480 -21.006 -7.114 1.00 62.24 H new ATOM 0 HB3 ASN A 67 18.139 -19.487 -7.918 1.00 62.24 H new ATOM 0 HD21 ASN A 67 21.358 -21.750 -8.989 1.00 31.52 H new ATOM 0 HD22 ASN A 67 20.205 -22.238 -7.743 1.00 31.52 H new ATOM 1050 N ALA A 68 17.556 -17.667 -6.205 1.00 72.14 N ATOM 1051 CA ALA A 68 16.964 -16.336 -6.267 1.00 25.20 C ATOM 1052 C ALA A 68 17.527 -15.434 -5.174 1.00 21.33 C ATOM 1053 O ALA A 68 17.946 -14.308 -5.440 1.00 32.13 O ATOM 1054 CB ALA A 68 15.450 -16.426 -6.152 1.00 51.15 C ATOM 0 H ALA A 68 16.879 -18.427 -6.143 1.00 72.14 H new ATOM 0 HA ALA A 68 17.218 -15.896 -7.231 1.00 25.20 H new ATOM 0 HB1 ALA A 68 15.021 -15.425 -6.200 1.00 51.15 H new ATOM 0 HB2 ALA A 68 15.058 -17.028 -6.972 1.00 51.15 H new ATOM 0 HB3 ALA A 68 15.184 -16.890 -5.202 1.00 51.15 H new ATOM 1060 N MET A 69 17.533 -15.937 -3.943 1.00 51.23 N ATOM 1061 CA MET A 69 18.045 -15.175 -2.810 1.00 31.42 C ATOM 1062 C MET A 69 19.521 -14.841 -3.002 1.00 32.25 C ATOM 1063 O MET A 69 19.921 -13.682 -2.908 1.00 42.21 O ATOM 1064 CB MET A 69 17.852 -15.961 -1.511 1.00 64.44 C ATOM 1065 CG MET A 69 18.466 -15.286 -0.296 1.00 21.24 C ATOM 1066 SD MET A 69 18.429 -16.332 1.172 1.00 22.44 S ATOM 1067 CE MET A 69 16.739 -16.923 1.125 1.00 12.53 C ATOM 0 H MET A 69 17.190 -16.868 -3.705 1.00 51.23 H new ATOM 0 HA MET A 69 17.485 -14.242 -2.748 1.00 31.42 H new ATOM 0 HB2 MET A 69 16.785 -16.103 -1.337 1.00 64.44 H new ATOM 0 HB3 MET A 69 18.291 -16.952 -1.627 1.00 64.44 H new ATOM 0 HG2 MET A 69 19.498 -15.015 -0.518 1.00 21.24 H new ATOM 0 HG3 MET A 69 17.930 -14.359 -0.091 1.00 21.24 H new ATOM 0 HE1 MET A 69 16.624 -17.752 1.823 1.00 12.53 H new ATOM 0 HE2 MET A 69 16.063 -16.115 1.406 1.00 12.53 H new ATOM 0 HE3 MET A 69 16.500 -17.262 0.117 1.00 12.53 H new ATOM 1077 N ASN A 70 20.325 -15.865 -3.270 1.00 32.03 N ATOM 1078 CA ASN A 70 21.757 -15.679 -3.474 1.00 31.24 C ATOM 1079 C ASN A 70 22.022 -14.700 -4.613 1.00 55.12 C ATOM 1080 O ASN A 70 23.085 -14.084 -4.680 1.00 54.14 O ATOM 1081 CB ASN A 70 22.429 -17.021 -3.773 1.00 11.33 C ATOM 1082 CG ASN A 70 23.938 -16.904 -3.863 1.00 2.01 C ATOM 1083 OD1 ASN A 70 24.533 -15.970 -3.324 1.00 60.41 O ATOM 1084 ND2 ASN A 70 24.565 -17.854 -4.547 1.00 22.12 N ATOM 0 H ASN A 70 20.009 -16.832 -3.351 1.00 32.03 H new ATOM 0 HA ASN A 70 22.178 -15.265 -2.558 1.00 31.24 H new ATOM 0 HB2 ASN A 70 22.169 -17.736 -2.993 1.00 11.33 H new ATOM 0 HB3 ASN A 70 22.041 -17.417 -4.711 1.00 11.33 H new ATOM 0 HD21 ASN A 70 25.580 -17.828 -4.642 1.00 22.12 H new ATOM 0 HD22 ASN A 70 24.031 -18.609 -4.977 1.00 22.12 H new ATOM 1091 N GLU A 71 21.046 -14.562 -5.506 1.00 44.21 N ATOM 1092 CA GLU A 71 21.175 -13.658 -6.643 1.00 12.52 C ATOM 1093 C GLU A 71 20.791 -12.233 -6.251 1.00 61.41 C ATOM 1094 O GLU A 71 21.551 -11.291 -6.474 1.00 45.03 O ATOM 1095 CB GLU A 71 20.298 -14.133 -7.803 1.00 14.02 C ATOM 1096 CG GLU A 71 20.511 -13.350 -9.088 1.00 34.34 C ATOM 1097 CD GLU A 71 21.973 -13.047 -9.350 1.00 50.22 C ATOM 1098 OE1 GLU A 71 22.777 -14.000 -9.401 1.00 65.33 O ATOM 1099 OE2 GLU A 71 22.312 -11.855 -9.505 1.00 3.22 O ATOM 0 H GLU A 71 20.159 -15.064 -5.464 1.00 44.21 H new ATOM 0 HA GLU A 71 22.218 -13.661 -6.961 1.00 12.52 H new ATOM 0 HB2 GLU A 71 20.500 -15.187 -7.992 1.00 14.02 H new ATOM 0 HB3 GLU A 71 19.251 -14.057 -7.510 1.00 14.02 H new ATOM 0 HG2 GLU A 71 20.105 -13.917 -9.926 1.00 34.34 H new ATOM 0 HG3 GLU A 71 19.954 -12.415 -9.036 1.00 34.34 H new ATOM 1106 N ILE A 72 19.607 -12.086 -5.667 1.00 11.42 N ATOM 1107 CA ILE A 72 19.122 -10.778 -5.244 1.00 4.43 C ATOM 1108 C ILE A 72 19.980 -10.212 -4.116 1.00 75.23 C ATOM 1109 O ILE A 72 20.023 -9.000 -3.904 1.00 25.50 O ATOM 1110 CB ILE A 72 17.657 -10.845 -4.775 1.00 11.21 C ATOM 1111 CG1 ILE A 72 16.757 -11.331 -5.912 1.00 74.24 C ATOM 1112 CG2 ILE A 72 17.198 -9.483 -4.274 1.00 61.52 C ATOM 1113 CD1 ILE A 72 16.843 -10.478 -7.158 1.00 52.24 C ATOM 0 H ILE A 72 18.966 -12.856 -5.476 1.00 11.42 H new ATOM 0 HA ILE A 72 19.187 -10.122 -6.112 1.00 4.43 H new ATOM 0 HB ILE A 72 17.587 -11.556 -3.952 1.00 11.21 H new ATOM 0 HG12 ILE A 72 17.026 -12.357 -6.164 1.00 74.24 H new ATOM 0 HG13 ILE A 72 15.724 -11.349 -5.564 1.00 74.24 H new ATOM 0 HG21 ILE A 72 16.160 -9.547 -3.946 1.00 61.52 H new ATOM 0 HG22 ILE A 72 17.825 -9.173 -3.438 1.00 61.52 H new ATOM 0 HG23 ILE A 72 17.280 -8.753 -5.079 1.00 61.52 H new ATOM 0 HD11 ILE A 72 16.179 -10.882 -7.922 1.00 52.24 H new ATOM 0 HD12 ILE A 72 16.545 -9.457 -6.921 1.00 52.24 H new ATOM 0 HD13 ILE A 72 17.867 -10.480 -7.530 1.00 52.24 H new ATOM 1125 N SER A 73 20.661 -11.098 -3.397 1.00 62.11 N ATOM 1126 CA SER A 73 21.516 -10.688 -2.290 1.00 5.24 C ATOM 1127 C SER A 73 22.884 -10.239 -2.796 1.00 73.15 C ATOM 1128 O SER A 73 23.694 -9.705 -2.039 1.00 22.52 O ATOM 1129 CB SER A 73 21.681 -11.836 -1.292 1.00 64.23 C ATOM 1130 OG SER A 73 22.039 -11.351 -0.010 1.00 11.40 O ATOM 0 H SER A 73 20.637 -12.104 -3.561 1.00 62.11 H new ATOM 0 HA SER A 73 21.039 -9.846 -1.789 1.00 5.24 H new ATOM 0 HB2 SER A 73 20.750 -12.399 -1.224 1.00 64.23 H new ATOM 0 HB3 SER A 73 22.446 -12.526 -1.650 1.00 64.23 H new ATOM 0 HG SER A 73 22.716 -10.649 -0.103 1.00 11.40 H new ATOM 1136 N ARG A 74 23.132 -10.460 -4.083 1.00 44.22 N ATOM 1137 CA ARG A 74 24.401 -10.080 -4.692 1.00 43.22 C ATOM 1138 C ARG A 74 24.730 -8.619 -4.397 1.00 64.40 C ATOM 1139 O ARG A 74 25.866 -8.285 -4.060 1.00 1.34 O ATOM 1140 CB ARG A 74 24.354 -10.308 -6.204 1.00 41.53 C ATOM 1141 CG ARG A 74 24.471 -11.769 -6.604 1.00 24.30 C ATOM 1142 CD ARG A 74 25.873 -12.304 -6.357 1.00 4.31 C ATOM 1143 NE ARG A 74 26.873 -11.611 -7.165 1.00 64.43 N ATOM 1144 CZ ARG A 74 28.183 -11.729 -6.974 1.00 73.33 C ATOM 1145 NH1 ARG A 74 28.647 -12.509 -6.008 1.00 5.34 N ATOM 1146 NH2 ARG A 74 29.030 -11.067 -7.752 1.00 21.14 N ATOM 0 H ARG A 74 22.471 -10.900 -4.724 1.00 44.22 H new ATOM 0 HA ARG A 74 25.183 -10.705 -4.261 1.00 43.22 H new ATOM 0 HB2 ARG A 74 23.419 -9.907 -6.594 1.00 41.53 H new ATOM 0 HB3 ARG A 74 25.162 -9.746 -6.673 1.00 41.53 H new ATOM 0 HG2 ARG A 74 23.750 -12.361 -6.040 1.00 24.30 H new ATOM 0 HG3 ARG A 74 24.219 -11.880 -7.659 1.00 24.30 H new ATOM 0 HD2 ARG A 74 26.122 -12.196 -5.301 1.00 4.31 H new ATOM 0 HD3 ARG A 74 25.899 -13.370 -6.583 1.00 4.31 H new ATOM 0 HE ARG A 74 26.548 -11.003 -7.917 1.00 64.43 H new ATOM 0 HH11 ARG A 74 27.998 -13.020 -5.409 1.00 5.34 H new ATOM 0 HH12 ARG A 74 29.653 -12.598 -5.863 1.00 5.34 H new ATOM 0 HH21 ARG A 74 28.676 -10.467 -8.497 1.00 21.14 H new ATOM 0 HH22 ARG A 74 30.035 -11.158 -7.605 1.00 21.14 H new