USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 647 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 31 THR OG1 : rot -28:sc= 0.0318 USER MOD Set 1.2: A 71 THR OG1 : rot 125:sc= -0.667 USER MOD Single : A 1 GLY N :NH3+ -120:sc= 0.078 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -1 K(o=-1,f=-3.4!) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -162:sc= -0.0169 (180deg=-0.156) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot -60:sc= 0.555 USER MOD Single : A 21 GLN : amide:sc= -0.13 X(o=-0.13,f=-0.34) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 151:sc= -0.147 (180deg=-0.759) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.243 USER MOD Single : A 33 SER OG : rot -113:sc= -0.482 USER MOD Single : A 40 ASN : amide:sc= 0.0178 K(o=0.018,f=-4.5!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 ASN : amide:sc= -0.512 X(o=-0.51,f=-0.054) USER MOD Single : A 77 ASN : amide:sc= -1.24 X(o=-1.2,f=-1.6!) USER MOD Single : A 80 LYS NZ :NH3+ -170:sc= 0.829 (180deg=0.674) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.503 3.386 -8.815 1.00 12.55 N ATOM 2 CA GLY A 1 7.671 2.334 -7.829 1.00 53.23 C ATOM 3 C GLY A 1 8.001 2.876 -6.453 1.00 13.13 C ATOM 4 O GLY A 1 8.103 4.086 -6.246 1.00 60.53 O ATOM 0 H1 GLY A 1 6.543 3.340 -9.212 1.00 12.55 H new ATOM 0 H2 GLY A 1 7.647 4.312 -8.363 1.00 12.55 H new ATOM 0 H3 GLY A 1 8.199 3.261 -9.578 1.00 12.55 H new ATOM 0 HA2 GLY A 1 6.757 1.743 -7.774 1.00 53.23 H new ATOM 0 HA3 GLY A 1 8.466 1.662 -8.151 1.00 53.23 H new ATOM 8 N PRO A 2 8.172 1.968 -5.480 1.00 54.14 N ATOM 9 CA PRO A 2 8.493 2.339 -4.099 1.00 63.50 C ATOM 10 C PRO A 2 9.906 2.895 -3.962 1.00 42.31 C ATOM 11 O PRO A 2 10.719 2.786 -4.880 1.00 15.14 O ATOM 12 CB PRO A 2 8.363 1.017 -3.338 1.00 22.21 C ATOM 13 CG PRO A 2 8.607 -0.036 -4.363 1.00 62.31 C ATOM 14 CD PRO A 2 8.065 0.510 -5.655 1.00 33.21 C ATOM 0 HA PRO A 2 7.840 3.128 -3.726 1.00 63.50 H new ATOM 0 HB2 PRO A 2 9.088 0.955 -2.526 1.00 22.21 H new ATOM 0 HB3 PRO A 2 7.374 0.913 -2.891 1.00 22.21 H new ATOM 0 HG2 PRO A 2 9.671 -0.258 -4.449 1.00 62.31 H new ATOM 0 HG3 PRO A 2 8.108 -0.967 -4.093 1.00 62.31 H new ATOM 0 HD2 PRO A 2 8.644 0.164 -6.512 1.00 33.21 H new ATOM 0 HD3 PRO A 2 7.033 0.200 -5.821 1.00 33.21 H new ATOM 22 N GLY A 3 10.193 3.493 -2.809 1.00 61.43 N ATOM 23 CA GLY A 3 11.509 4.057 -2.574 1.00 1.23 C ATOM 24 C GLY A 3 11.544 5.557 -2.790 1.00 53.03 C ATOM 25 O GLY A 3 12.445 6.241 -2.305 1.00 61.50 O ATOM 0 H GLY A 3 9.538 3.597 -2.034 1.00 61.43 H new ATOM 0 HA2 GLY A 3 11.820 3.833 -1.554 1.00 1.23 H new ATOM 0 HA3 GLY A 3 12.229 3.580 -3.239 1.00 1.23 H new ATOM 29 N SER A 4 10.560 6.070 -3.523 1.00 5.53 N ATOM 30 CA SER A 4 10.485 7.499 -3.807 1.00 70.45 C ATOM 31 C SER A 4 9.548 8.199 -2.828 1.00 5.22 C ATOM 32 O SER A 4 8.362 7.882 -2.752 1.00 31.10 O ATOM 33 CB SER A 4 10.006 7.730 -5.242 1.00 62.51 C ATOM 34 OG SER A 4 10.470 6.706 -6.105 1.00 74.24 O ATOM 0 H SER A 4 9.805 5.518 -3.930 1.00 5.53 H new ATOM 0 HA SER A 4 11.484 7.920 -3.692 1.00 70.45 H new ATOM 0 HB2 SER A 4 8.917 7.763 -5.264 1.00 62.51 H new ATOM 0 HB3 SER A 4 10.362 8.698 -5.596 1.00 62.51 H new ATOM 0 HG SER A 4 10.149 6.875 -7.015 1.00 74.24 H new ATOM 40 N MET A 5 10.092 9.154 -2.079 1.00 73.35 N ATOM 41 CA MET A 5 9.305 9.901 -1.105 1.00 20.32 C ATOM 42 C MET A 5 9.231 11.377 -1.483 1.00 33.34 C ATOM 43 O MET A 5 8.277 12.070 -1.129 1.00 52.24 O ATOM 44 CB MET A 5 9.908 9.750 0.293 1.00 65.21 C ATOM 45 CG MET A 5 9.612 8.407 0.941 1.00 14.32 C ATOM 46 SD MET A 5 10.696 8.056 2.338 1.00 62.40 S ATOM 47 CE MET A 5 10.934 6.291 2.146 1.00 62.22 C ATOM 0 H MET A 5 11.073 9.428 -2.128 1.00 73.35 H new ATOM 0 HA MET A 5 8.294 9.494 -1.103 1.00 20.32 H new ATOM 0 HB2 MET A 5 10.988 9.884 0.230 1.00 65.21 H new ATOM 0 HB3 MET A 5 9.525 10.545 0.933 1.00 65.21 H new ATOM 0 HG2 MET A 5 8.575 8.391 1.278 1.00 14.32 H new ATOM 0 HG3 MET A 5 9.718 7.618 0.197 1.00 14.32 H new ATOM 0 HE1 MET A 5 11.585 5.923 2.939 1.00 62.22 H new ATOM 0 HE2 MET A 5 9.970 5.785 2.204 1.00 62.22 H new ATOM 0 HE3 MET A 5 11.392 6.089 1.178 1.00 62.22 H new ATOM 57 N ASP A 6 10.242 11.850 -2.201 1.00 45.44 N ATOM 58 CA ASP A 6 10.291 13.244 -2.628 1.00 1.24 C ATOM 59 C ASP A 6 10.348 13.346 -4.149 1.00 32.43 C ATOM 60 O ASP A 6 9.642 14.152 -4.753 1.00 70.54 O ATOM 61 CB ASP A 6 11.502 13.946 -2.012 1.00 4.12 C ATOM 62 CG ASP A 6 11.224 15.400 -1.683 1.00 31.54 C ATOM 63 OD1 ASP A 6 10.517 15.657 -0.686 1.00 74.32 O ATOM 64 OD2 ASP A 6 11.712 16.280 -2.422 1.00 24.12 O ATOM 0 H ASP A 6 11.040 11.289 -2.500 1.00 45.44 H new ATOM 0 HA ASP A 6 9.381 13.735 -2.283 1.00 1.24 H new ATOM 0 HB2 ASP A 6 11.799 13.422 -1.104 1.00 4.12 H new ATOM 0 HB3 ASP A 6 12.343 13.887 -2.703 1.00 4.12 H new ATOM 69 N ASN A 7 11.194 12.523 -4.760 1.00 73.05 N ATOM 70 CA ASN A 7 11.344 12.521 -6.211 1.00 51.41 C ATOM 71 C ASN A 7 9.990 12.372 -6.898 1.00 52.20 C ATOM 72 O ASN A 7 9.656 13.132 -7.807 1.00 43.41 O ATOM 73 CB ASN A 7 12.277 11.390 -6.647 1.00 32.32 C ATOM 74 CG ASN A 7 12.086 11.011 -8.103 1.00 1.40 C ATOM 75 OD1 ASN A 7 12.767 11.534 -8.986 1.00 14.12 O ATOM 76 ND2 ASN A 7 11.156 10.099 -8.360 1.00 65.31 N ATOM 0 H ASN A 7 11.786 11.849 -4.274 1.00 73.05 H new ATOM 0 HA ASN A 7 11.779 13.476 -6.507 1.00 51.41 H new ATOM 0 HB2 ASN A 7 13.311 11.694 -6.486 1.00 32.32 H new ATOM 0 HB3 ASN A 7 12.101 10.515 -6.021 1.00 32.32 H new ATOM 0 HD21 ASN A 7 10.982 9.805 -9.321 1.00 65.31 H new ATOM 0 HD22 ASN A 7 10.616 9.692 -7.596 1.00 65.31 H new ATOM 83 N ASP A 8 9.214 11.388 -6.457 1.00 1.33 N ATOM 84 CA ASP A 8 7.895 11.140 -7.027 1.00 62.22 C ATOM 85 C ASP A 8 6.857 12.084 -6.428 1.00 63.22 C ATOM 86 O ASP A 8 5.678 12.025 -6.775 1.00 42.01 O ATOM 87 CB ASP A 8 7.479 9.687 -6.790 1.00 52.41 C ATOM 88 CG ASP A 8 6.318 9.267 -7.670 1.00 62.21 C ATOM 89 OD1 ASP A 8 5.159 9.529 -7.288 1.00 51.40 O ATOM 90 OD2 ASP A 8 6.569 8.674 -8.741 1.00 1.14 O ATOM 0 H ASP A 8 9.476 10.749 -5.706 1.00 1.33 H new ATOM 0 HA ASP A 8 7.950 11.324 -8.100 1.00 62.22 H new ATOM 0 HB2 ASP A 8 8.330 9.033 -6.979 1.00 52.41 H new ATOM 0 HB3 ASP A 8 7.204 9.557 -5.743 1.00 52.41 H new ATOM 95 N GLU A 9 7.305 12.952 -5.527 1.00 10.24 N ATOM 96 CA GLU A 9 6.414 13.907 -4.878 1.00 73.03 C ATOM 97 C GLU A 9 6.592 15.304 -5.466 1.00 64.22 C ATOM 98 O GLU A 9 5.764 16.189 -5.252 1.00 3.55 O ATOM 99 CB GLU A 9 6.674 13.939 -3.371 1.00 11.02 C ATOM 100 CG GLU A 9 5.477 14.401 -2.556 1.00 62.53 C ATOM 101 CD GLU A 9 5.530 13.920 -1.119 1.00 13.41 C ATOM 102 OE1 GLU A 9 5.242 12.728 -0.881 1.00 45.35 O ATOM 103 OE2 GLU A 9 5.857 14.736 -0.232 1.00 24.21 O ATOM 0 H GLU A 9 8.279 13.014 -5.230 1.00 10.24 H new ATOM 0 HA GLU A 9 5.388 13.585 -5.055 1.00 73.03 H new ATOM 0 HB2 GLU A 9 6.965 12.942 -3.040 1.00 11.02 H new ATOM 0 HB3 GLU A 9 7.517 14.601 -3.170 1.00 11.02 H new ATOM 0 HG2 GLU A 9 5.431 15.490 -2.569 1.00 62.53 H new ATOM 0 HG3 GLU A 9 4.562 14.038 -3.023 1.00 62.53 H new ATOM 110 N ILE A 10 7.679 15.493 -6.208 1.00 32.44 N ATOM 111 CA ILE A 10 7.966 16.781 -6.827 1.00 21.44 C ATOM 112 C ILE A 10 6.763 17.294 -7.611 1.00 4.11 C ATOM 113 O ILE A 10 6.295 18.411 -7.390 1.00 2.14 O ATOM 114 CB ILE A 10 9.181 16.693 -7.770 1.00 14.52 C ATOM 115 CG1 ILE A 10 10.389 16.117 -7.029 1.00 32.20 C ATOM 116 CG2 ILE A 10 9.508 18.065 -8.340 1.00 55.34 C ATOM 117 CD1 ILE A 10 11.656 16.106 -7.855 1.00 53.54 C ATOM 0 H ILE A 10 8.375 14.771 -6.395 1.00 32.44 H new ATOM 0 HA ILE A 10 8.193 17.477 -6.019 1.00 21.44 H new ATOM 0 HB ILE A 10 8.934 16.026 -8.596 1.00 14.52 H new ATOM 0 HG12 ILE A 10 10.561 16.699 -6.123 1.00 32.20 H new ATOM 0 HG13 ILE A 10 10.161 15.098 -6.715 1.00 32.20 H new ATOM 0 HG21 ILE A 10 10.369 17.987 -9.004 1.00 55.34 H new ATOM 0 HG22 ILE A 10 8.651 18.441 -8.899 1.00 55.34 H new ATOM 0 HG23 ILE A 10 9.739 18.752 -7.526 1.00 55.34 H new ATOM 0 HD11 ILE A 10 12.471 15.685 -7.266 1.00 53.54 H new ATOM 0 HD12 ILE A 10 11.503 15.500 -8.748 1.00 53.54 H new ATOM 0 HD13 ILE A 10 11.909 17.125 -8.147 1.00 53.54 H new ATOM 129 N PHE A 11 6.266 16.470 -8.527 1.00 41.35 N ATOM 130 CA PHE A 11 5.117 16.840 -9.345 1.00 15.42 C ATOM 131 C PHE A 11 3.865 16.996 -8.485 1.00 65.11 C ATOM 132 O PHE A 11 2.991 17.808 -8.785 1.00 14.45 O ATOM 133 CB PHE A 11 4.876 15.789 -10.430 1.00 32.10 C ATOM 134 CG PHE A 11 3.925 14.704 -10.013 1.00 34.01 C ATOM 135 CD1 PHE A 11 4.316 13.732 -9.106 1.00 61.14 C ATOM 136 CD2 PHE A 11 2.639 14.656 -10.527 1.00 12.31 C ATOM 137 CE1 PHE A 11 3.443 12.732 -8.722 1.00 10.13 C ATOM 138 CE2 PHE A 11 1.761 13.659 -10.146 1.00 0.05 C ATOM 139 CZ PHE A 11 2.164 12.696 -9.241 1.00 15.31 C ATOM 0 H PHE A 11 6.641 15.542 -8.722 1.00 41.35 H new ATOM 0 HA PHE A 11 5.333 17.798 -9.819 1.00 15.42 H new ATOM 0 HB2 PHE A 11 4.485 16.281 -11.321 1.00 32.10 H new ATOM 0 HB3 PHE A 11 5.829 15.339 -10.707 1.00 32.10 H new ATOM 0 HD1 PHE A 11 5.314 13.756 -8.695 1.00 61.14 H new ATOM 0 HD2 PHE A 11 2.319 15.407 -11.234 1.00 12.31 H new ATOM 0 HE1 PHE A 11 3.761 11.979 -8.016 1.00 10.13 H new ATOM 0 HE2 PHE A 11 0.762 13.633 -10.555 1.00 0.05 H new ATOM 0 HZ PHE A 11 1.480 11.916 -8.940 1.00 15.31 H new ATOM 149 N SER A 12 3.788 16.210 -7.416 1.00 3.54 N ATOM 150 CA SER A 12 2.643 16.257 -6.514 1.00 70.12 C ATOM 151 C SER A 12 2.576 17.598 -5.790 1.00 31.13 C ATOM 152 O SER A 12 1.524 18.235 -5.733 1.00 72.03 O ATOM 153 CB SER A 12 2.722 15.118 -5.496 1.00 20.20 C ATOM 154 OG SER A 12 2.309 15.552 -4.212 1.00 31.11 O ATOM 0 H SER A 12 4.505 15.533 -7.153 1.00 3.54 H new ATOM 0 HA SER A 12 1.738 16.140 -7.110 1.00 70.12 H new ATOM 0 HB2 SER A 12 2.093 14.290 -5.823 1.00 20.20 H new ATOM 0 HB3 SER A 12 3.744 14.742 -5.445 1.00 20.20 H new ATOM 0 HG SER A 12 2.367 14.805 -3.580 1.00 31.11 H new ATOM 160 N LYS A 13 3.707 18.021 -5.236 1.00 1.21 N ATOM 161 CA LYS A 13 3.780 19.287 -4.515 1.00 61.43 C ATOM 162 C LYS A 13 3.544 20.463 -5.457 1.00 13.33 C ATOM 163 O LYS A 13 2.795 21.387 -5.137 1.00 22.34 O ATOM 164 CB LYS A 13 5.143 19.431 -3.833 1.00 54.05 C ATOM 165 CG LYS A 13 5.244 20.647 -2.929 1.00 22.12 C ATOM 166 CD LYS A 13 4.483 20.441 -1.630 1.00 31.30 C ATOM 167 CE LYS A 13 5.124 21.204 -0.481 1.00 60.10 C ATOM 168 NZ LYS A 13 6.413 20.589 -0.058 1.00 12.52 N ATOM 0 H LYS A 13 4.586 17.506 -5.272 1.00 1.21 H new ATOM 0 HA LYS A 13 2.998 19.290 -3.755 1.00 61.43 H new ATOM 0 HB2 LYS A 13 5.343 18.535 -3.246 1.00 54.05 H new ATOM 0 HB3 LYS A 13 5.918 19.491 -4.597 1.00 54.05 H new ATOM 0 HG2 LYS A 13 6.292 20.852 -2.709 1.00 22.12 H new ATOM 0 HG3 LYS A 13 4.850 21.521 -3.448 1.00 22.12 H new ATOM 0 HD2 LYS A 13 3.451 20.770 -1.756 1.00 31.30 H new ATOM 0 HD3 LYS A 13 4.452 19.378 -1.390 1.00 31.30 H new ATOM 0 HE2 LYS A 13 5.296 22.237 -0.782 1.00 60.10 H new ATOM 0 HE3 LYS A 13 4.438 21.229 0.366 1.00 60.10 H new ATOM 0 HZ1 LYS A 13 6.665 20.930 0.892 1.00 12.52 H new ATOM 0 HZ2 LYS A 13 6.314 19.554 -0.040 1.00 12.52 H new ATOM 0 HZ3 LYS A 13 7.161 20.854 -0.730 1.00 12.52 H new ATOM 182 N VAL A 14 4.186 20.423 -6.620 1.00 73.10 N ATOM 183 CA VAL A 14 4.043 21.485 -7.609 1.00 61.52 C ATOM 184 C VAL A 14 2.628 21.522 -8.175 1.00 12.34 C ATOM 185 O VAL A 14 2.091 22.593 -8.460 1.00 71.33 O ATOM 186 CB VAL A 14 5.043 21.310 -8.768 1.00 34.10 C ATOM 187 CG1 VAL A 14 4.871 22.421 -9.793 1.00 63.41 C ATOM 188 CG2 VAL A 14 6.469 21.276 -8.240 1.00 71.42 C ATOM 0 H VAL A 14 4.810 19.667 -6.901 1.00 73.10 H new ATOM 0 HA VAL A 14 4.251 22.425 -7.097 1.00 61.52 H new ATOM 0 HB VAL A 14 4.840 20.359 -9.261 1.00 34.10 H new ATOM 0 HG11 VAL A 14 5.585 22.281 -10.604 1.00 63.41 H new ATOM 0 HG12 VAL A 14 3.857 22.393 -10.193 1.00 63.41 H new ATOM 0 HG13 VAL A 14 5.047 23.386 -9.317 1.00 63.41 H new ATOM 0 HG21 VAL A 14 7.162 21.152 -9.072 1.00 71.42 H new ATOM 0 HG22 VAL A 14 6.688 22.210 -7.722 1.00 71.42 H new ATOM 0 HG23 VAL A 14 6.581 20.442 -7.547 1.00 71.42 H new ATOM 198 N ARG A 15 2.028 20.347 -8.333 1.00 63.22 N ATOM 199 CA ARG A 15 0.675 20.245 -8.865 1.00 52.13 C ATOM 200 C ARG A 15 -0.340 20.826 -7.885 1.00 20.43 C ATOM 201 O ARG A 15 -1.237 21.573 -8.274 1.00 74.42 O ATOM 202 CB ARG A 15 0.331 18.785 -9.167 1.00 51.31 C ATOM 203 CG ARG A 15 -1.054 18.597 -9.765 1.00 22.24 C ATOM 204 CD ARG A 15 -1.103 19.058 -11.213 1.00 11.12 C ATOM 205 NE ARG A 15 -0.055 18.440 -12.020 1.00 71.43 N ATOM 206 CZ ARG A 15 0.176 18.754 -13.290 1.00 61.21 C ATOM 207 NH1 ARG A 15 -0.563 19.675 -13.894 1.00 23.53 N ATOM 208 NH2 ARG A 15 1.148 18.147 -13.959 1.00 24.24 N ATOM 0 H ARG A 15 2.458 19.452 -8.100 1.00 63.22 H new ATOM 0 HA ARG A 15 0.631 20.820 -9.790 1.00 52.13 H new ATOM 0 HB2 ARG A 15 1.073 18.381 -9.856 1.00 51.31 H new ATOM 0 HB3 ARG A 15 0.402 18.206 -8.246 1.00 51.31 H new ATOM 0 HG2 ARG A 15 -1.337 17.546 -9.707 1.00 22.24 H new ATOM 0 HG3 ARG A 15 -1.783 19.156 -9.179 1.00 22.24 H new ATOM 0 HD2 ARG A 15 -2.077 18.816 -11.638 1.00 11.12 H new ATOM 0 HD3 ARG A 15 -0.998 20.142 -11.252 1.00 11.12 H new ATOM 0 HE ARG A 15 0.532 17.728 -11.585 1.00 71.43 H new ATOM 0 HH11 ARG A 15 -1.311 20.144 -13.383 1.00 23.53 H new ATOM 0 HH12 ARG A 15 -0.383 19.914 -14.869 1.00 23.53 H new ATOM 0 HH21 ARG A 15 1.719 17.438 -13.498 1.00 24.24 H new ATOM 0 HH22 ARG A 15 1.324 18.389 -14.934 1.00 24.24 H new ATOM 222 N SER A 16 -0.191 20.476 -6.611 1.00 11.21 N ATOM 223 CA SER A 16 -1.097 20.959 -5.575 1.00 22.20 C ATOM 224 C SER A 16 -1.172 22.483 -5.586 1.00 75.44 C ATOM 225 O SER A 16 -2.160 23.069 -5.142 1.00 51.04 O ATOM 226 CB SER A 16 -0.639 20.470 -4.199 1.00 71.15 C ATOM 227 OG SER A 16 -1.695 20.537 -3.257 1.00 12.21 O ATOM 0 H SER A 16 0.548 19.860 -6.272 1.00 11.21 H new ATOM 0 HA SER A 16 -2.091 20.562 -5.782 1.00 22.20 H new ATOM 0 HB2 SER A 16 -0.280 19.444 -4.275 1.00 71.15 H new ATOM 0 HB3 SER A 16 0.199 21.076 -3.854 1.00 71.15 H new ATOM 0 HG SER A 16 -1.378 20.218 -2.386 1.00 12.21 H new ATOM 233 N ILE A 17 -0.123 23.117 -6.097 1.00 25.12 N ATOM 234 CA ILE A 17 -0.070 24.572 -6.167 1.00 63.13 C ATOM 235 C ILE A 17 -1.073 25.110 -7.182 1.00 64.24 C ATOM 236 O ILE A 17 -1.903 25.959 -6.859 1.00 13.21 O ATOM 237 CB ILE A 17 1.340 25.067 -6.543 1.00 75.52 C ATOM 238 CG1 ILE A 17 2.358 24.619 -5.492 1.00 52.43 C ATOM 239 CG2 ILE A 17 1.348 26.581 -6.686 1.00 45.15 C ATOM 240 CD1 ILE A 17 3.792 24.713 -5.963 1.00 24.12 C ATOM 0 H ILE A 17 0.702 22.646 -6.469 1.00 25.12 H new ATOM 0 HA ILE A 17 -0.324 24.945 -5.175 1.00 63.13 H new ATOM 0 HB ILE A 17 1.620 24.630 -7.501 1.00 75.52 H new ATOM 0 HG12 ILE A 17 2.237 25.229 -4.597 1.00 52.43 H new ATOM 0 HG13 ILE A 17 2.144 23.589 -5.207 1.00 52.43 H new ATOM 0 HG21 ILE A 17 2.351 26.916 -6.952 1.00 45.15 H new ATOM 0 HG22 ILE A 17 0.648 26.876 -7.467 1.00 45.15 H new ATOM 0 HG23 ILE A 17 1.051 27.037 -5.742 1.00 45.15 H new ATOM 0 HD11 ILE A 17 4.459 24.380 -5.168 1.00 24.12 H new ATOM 0 HD12 ILE A 17 3.929 24.081 -6.840 1.00 24.12 H new ATOM 0 HD13 ILE A 17 4.023 25.746 -6.221 1.00 24.12 H new ATOM 252 N ILE A 18 -0.990 24.608 -8.410 1.00 52.30 N ATOM 253 CA ILE A 18 -1.893 25.036 -9.472 1.00 4.43 C ATOM 254 C ILE A 18 -3.276 24.419 -9.299 1.00 54.40 C ATOM 255 O ILE A 18 -4.282 25.004 -9.700 1.00 55.15 O ATOM 256 CB ILE A 18 -1.345 24.661 -10.861 1.00 72.24 C ATOM 257 CG1 ILE A 18 -1.155 23.146 -10.966 1.00 41.34 C ATOM 258 CG2 ILE A 18 -0.034 25.385 -11.127 1.00 64.43 C ATOM 259 CD1 ILE A 18 -0.716 22.686 -12.339 1.00 2.22 C ATOM 0 H ILE A 18 -0.307 23.905 -8.694 1.00 52.30 H new ATOM 0 HA ILE A 18 -1.971 26.121 -9.402 1.00 4.43 H new ATOM 0 HB ILE A 18 -2.067 24.971 -11.616 1.00 72.24 H new ATOM 0 HG12 ILE A 18 -0.415 22.829 -10.231 1.00 41.34 H new ATOM 0 HG13 ILE A 18 -2.092 22.652 -10.708 1.00 41.34 H new ATOM 0 HG21 ILE A 18 0.340 25.109 -12.113 1.00 64.43 H new ATOM 0 HG22 ILE A 18 -0.199 26.462 -11.090 1.00 64.43 H new ATOM 0 HG23 ILE A 18 0.697 25.103 -10.369 1.00 64.43 H new ATOM 0 HD11 ILE A 18 -0.601 21.602 -12.340 1.00 2.22 H new ATOM 0 HD12 ILE A 18 -1.467 22.972 -13.076 1.00 2.22 H new ATOM 0 HD13 ILE A 18 0.236 23.152 -12.592 1.00 2.22 H new ATOM 271 N SER A 19 -3.319 23.235 -8.697 1.00 73.03 N ATOM 272 CA SER A 19 -4.580 22.537 -8.473 1.00 22.03 C ATOM 273 C SER A 19 -5.609 23.465 -7.834 1.00 44.45 C ATOM 274 O SER A 19 -6.811 23.315 -8.047 1.00 12.11 O ATOM 275 CB SER A 19 -4.358 21.314 -7.581 1.00 62.53 C ATOM 276 OG SER A 19 -4.263 21.687 -6.218 1.00 22.44 O ATOM 0 H SER A 19 -2.496 22.739 -8.356 1.00 73.03 H new ATOM 0 HA SER A 19 -4.962 22.209 -9.440 1.00 22.03 H new ATOM 0 HB2 SER A 19 -5.180 20.610 -7.712 1.00 62.53 H new ATOM 0 HB3 SER A 19 -3.446 20.799 -7.885 1.00 62.53 H new ATOM 0 HG SER A 19 -3.510 22.303 -6.099 1.00 22.44 H new ATOM 282 N GLU A 20 -5.125 24.425 -7.052 1.00 34.15 N ATOM 283 CA GLU A 20 -6.003 25.377 -6.381 1.00 41.44 C ATOM 284 C GLU A 20 -6.722 26.261 -7.396 1.00 54.31 C ATOM 285 O GLU A 20 -7.919 26.519 -7.270 1.00 51.45 O ATOM 286 CB GLU A 20 -5.202 26.246 -5.409 1.00 41.02 C ATOM 287 CG GLU A 20 -6.046 26.862 -4.306 1.00 50.34 C ATOM 288 CD GLU A 20 -5.207 27.517 -3.226 1.00 20.40 C ATOM 289 OE1 GLU A 20 -4.495 28.494 -3.537 1.00 63.34 O ATOM 290 OE2 GLU A 20 -5.263 27.051 -2.068 1.00 73.25 O ATOM 0 H GLU A 20 -4.131 24.564 -6.868 1.00 34.15 H new ATOM 0 HA GLU A 20 -6.749 24.813 -5.822 1.00 41.44 H new ATOM 0 HB2 GLU A 20 -4.415 25.641 -4.958 1.00 41.02 H new ATOM 0 HB3 GLU A 20 -4.711 27.043 -5.967 1.00 41.02 H new ATOM 0 HG2 GLU A 20 -6.718 27.603 -4.739 1.00 50.34 H new ATOM 0 HG3 GLU A 20 -6.671 26.090 -3.857 1.00 50.34 H new ATOM 297 N GLN A 21 -5.983 26.722 -8.400 1.00 72.11 N ATOM 298 CA GLN A 21 -6.550 27.578 -9.435 1.00 72.14 C ATOM 299 C GLN A 21 -7.203 26.745 -10.533 1.00 72.33 C ATOM 300 O GLN A 21 -8.368 26.953 -10.876 1.00 1.12 O ATOM 301 CB GLN A 21 -5.466 28.474 -10.036 1.00 1.41 C ATOM 302 CG GLN A 21 -4.727 29.310 -9.003 1.00 42.03 C ATOM 303 CD GLN A 21 -5.664 29.999 -8.031 1.00 22.33 C ATOM 304 OE1 GLN A 21 -5.687 29.679 -6.842 1.00 14.23 O ATOM 305 NE2 GLN A 21 -6.443 30.950 -8.532 1.00 3.33 N ATOM 0 H GLN A 21 -4.991 26.517 -8.519 1.00 72.11 H new ATOM 0 HA GLN A 21 -7.315 28.203 -8.975 1.00 72.14 H new ATOM 0 HB2 GLN A 21 -4.747 27.853 -10.570 1.00 1.41 H new ATOM 0 HB3 GLN A 21 -5.921 29.138 -10.771 1.00 1.41 H new ATOM 0 HG2 GLN A 21 -4.040 28.671 -8.448 1.00 42.03 H new ATOM 0 HG3 GLN A 21 -4.123 30.060 -9.513 1.00 42.03 H new ATOM 0 HE21 GLN A 21 -6.390 31.182 -9.524 1.00 3.33 H new ATOM 0 HE22 GLN A 21 -7.094 31.448 -7.925 1.00 3.33 H new ATOM 314 N LEU A 22 -6.446 25.801 -11.082 1.00 33.10 N ATOM 315 CA LEU A 22 -6.951 24.935 -12.142 1.00 53.43 C ATOM 316 C LEU A 22 -8.122 24.093 -11.646 1.00 53.13 C ATOM 317 O LEU A 22 -9.030 23.763 -12.410 1.00 23.11 O ATOM 318 CB LEU A 22 -5.836 24.025 -12.659 1.00 30.11 C ATOM 319 CG LEU A 22 -4.949 24.608 -13.759 1.00 43.31 C ATOM 320 CD1 LEU A 22 -4.443 25.987 -13.362 1.00 74.34 C ATOM 321 CD2 LEU A 22 -3.783 23.676 -14.055 1.00 32.31 C ATOM 0 H LEU A 22 -5.480 25.616 -10.811 1.00 33.10 H new ATOM 0 HA LEU A 22 -7.302 25.567 -12.957 1.00 53.43 H new ATOM 0 HB2 LEU A 22 -5.201 23.748 -11.817 1.00 30.11 H new ATOM 0 HB3 LEU A 22 -6.288 23.107 -13.033 1.00 30.11 H new ATOM 0 HG LEU A 22 -5.547 24.709 -14.665 1.00 43.31 H new ATOM 0 HD11 LEU A 22 -3.813 26.386 -14.157 1.00 74.34 H new ATOM 0 HD12 LEU A 22 -5.291 26.653 -13.201 1.00 74.34 H new ATOM 0 HD13 LEU A 22 -3.862 25.911 -12.443 1.00 74.34 H new ATOM 0 HD21 LEU A 22 -3.163 24.108 -14.840 1.00 32.31 H new ATOM 0 HD22 LEU A 22 -3.186 23.543 -13.153 1.00 32.31 H new ATOM 0 HD23 LEU A 22 -4.164 22.709 -14.384 1.00 32.31 H new ATOM 333 N ASP A 23 -8.096 23.751 -10.363 1.00 32.20 N ATOM 334 CA ASP A 23 -9.157 22.950 -9.764 1.00 33.24 C ATOM 335 C ASP A 23 -9.267 21.592 -10.451 1.00 15.32 C ATOM 336 O ASP A 23 -10.320 20.954 -10.424 1.00 52.32 O ATOM 337 CB ASP A 23 -10.494 23.689 -9.849 1.00 63.33 C ATOM 338 CG ASP A 23 -11.445 23.296 -8.736 1.00 62.11 C ATOM 339 OD1 ASP A 23 -10.961 22.908 -7.652 1.00 51.22 O ATOM 340 OD2 ASP A 23 -12.673 23.375 -8.949 1.00 10.31 O ATOM 0 H ASP A 23 -7.352 24.016 -9.718 1.00 32.20 H new ATOM 0 HA ASP A 23 -8.907 22.787 -8.716 1.00 33.24 H new ATOM 0 HB2 ASP A 23 -10.315 24.763 -9.807 1.00 63.33 H new ATOM 0 HB3 ASP A 23 -10.960 23.480 -10.812 1.00 63.33 H new ATOM 345 N LYS A 24 -8.174 21.156 -11.067 1.00 10.30 N ATOM 346 CA LYS A 24 -8.146 19.875 -11.762 1.00 32.33 C ATOM 347 C LYS A 24 -7.502 18.799 -10.893 1.00 60.12 C ATOM 348 O LYS A 24 -7.106 19.058 -9.757 1.00 1.43 O ATOM 349 CB LYS A 24 -7.383 20.004 -13.082 1.00 74.52 C ATOM 350 CG LYS A 24 -7.998 21.005 -14.045 1.00 35.43 C ATOM 351 CD LYS A 24 -9.345 20.526 -14.562 1.00 44.13 C ATOM 352 CE LYS A 24 -9.185 19.409 -15.582 1.00 25.22 C ATOM 353 NZ LYS A 24 -10.453 18.654 -15.781 1.00 43.25 N ATOM 0 H LYS A 24 -7.295 21.672 -11.099 1.00 10.30 H new ATOM 0 HA LYS A 24 -9.174 19.581 -11.972 1.00 32.33 H new ATOM 0 HB2 LYS A 24 -6.356 20.300 -12.871 1.00 74.52 H new ATOM 0 HB3 LYS A 24 -7.341 19.027 -13.564 1.00 74.52 H new ATOM 0 HG2 LYS A 24 -8.120 21.965 -13.544 1.00 35.43 H new ATOM 0 HG3 LYS A 24 -7.322 21.167 -14.884 1.00 35.43 H new ATOM 0 HD2 LYS A 24 -9.952 20.174 -13.728 1.00 44.13 H new ATOM 0 HD3 LYS A 24 -9.880 21.361 -15.016 1.00 44.13 H new ATOM 0 HE2 LYS A 24 -8.860 19.830 -16.533 1.00 25.22 H new ATOM 0 HE3 LYS A 24 -8.403 18.725 -15.252 1.00 25.22 H new ATOM 0 HZ1 LYS A 24 -10.303 17.902 -16.483 1.00 43.25 H new ATOM 0 HZ2 LYS A 24 -10.750 18.231 -14.879 1.00 43.25 H new ATOM 0 HZ3 LYS A 24 -11.193 19.301 -16.120 1.00 43.25 H new ATOM 367 N LYS A 25 -7.399 17.590 -11.436 1.00 3.43 N ATOM 368 CA LYS A 25 -6.800 16.475 -10.712 1.00 40.02 C ATOM 369 C LYS A 25 -5.381 16.207 -11.203 1.00 60.14 C ATOM 370 O LYS A 25 -5.079 16.388 -12.382 1.00 63.44 O ATOM 371 CB LYS A 25 -7.654 15.216 -10.877 1.00 14.13 C ATOM 372 CG LYS A 25 -8.004 14.903 -12.321 1.00 62.42 C ATOM 373 CD LYS A 25 -9.395 15.399 -12.679 1.00 4.01 C ATOM 374 CE LYS A 25 -10.083 14.466 -13.663 1.00 53.23 C ATOM 375 NZ LYS A 25 -10.271 13.102 -13.096 1.00 63.14 N ATOM 0 H LYS A 25 -7.723 17.358 -12.375 1.00 3.43 H new ATOM 0 HA LYS A 25 -6.756 16.742 -9.656 1.00 40.02 H new ATOM 0 HB2 LYS A 25 -7.121 14.367 -10.449 1.00 14.13 H new ATOM 0 HB3 LYS A 25 -8.575 15.335 -10.306 1.00 14.13 H new ATOM 0 HG2 LYS A 25 -7.271 15.365 -12.982 1.00 62.42 H new ATOM 0 HG3 LYS A 25 -7.947 13.827 -12.485 1.00 62.42 H new ATOM 0 HD2 LYS A 25 -9.997 15.483 -11.774 1.00 4.01 H new ATOM 0 HD3 LYS A 25 -9.327 16.398 -13.110 1.00 4.01 H new ATOM 0 HE2 LYS A 25 -11.052 14.881 -13.940 1.00 53.23 H new ATOM 0 HE3 LYS A 25 -9.491 14.401 -14.576 1.00 53.23 H new ATOM 0 HZ1 LYS A 25 -11.113 12.663 -13.520 1.00 63.14 H new ATOM 0 HZ2 LYS A 25 -9.434 12.521 -13.305 1.00 63.14 H new ATOM 0 HZ3 LYS A 25 -10.397 13.169 -12.066 1.00 63.14 H new ATOM 389 N GLU A 26 -4.516 15.774 -10.292 1.00 22.33 N ATOM 390 CA GLU A 26 -3.129 15.480 -10.634 1.00 51.32 C ATOM 391 C GLU A 26 -3.044 14.296 -11.592 1.00 73.42 C ATOM 392 O GLU A 26 -2.015 14.071 -12.230 1.00 11.54 O ATOM 393 CB GLU A 26 -2.319 15.187 -9.370 1.00 34.44 C ATOM 394 CG GLU A 26 -2.878 14.041 -8.542 1.00 5.22 C ATOM 395 CD GLU A 26 -2.528 12.682 -9.116 1.00 55.03 C ATOM 396 OE1 GLU A 26 -1.479 12.573 -9.784 1.00 63.21 O ATOM 397 OE2 GLU A 26 -3.304 11.728 -8.899 1.00 14.32 O ATOM 0 H GLU A 26 -4.751 15.619 -9.312 1.00 22.33 H new ATOM 0 HA GLU A 26 -2.711 16.356 -11.129 1.00 51.32 H new ATOM 0 HB2 GLU A 26 -1.292 14.954 -9.652 1.00 34.44 H new ATOM 0 HB3 GLU A 26 -2.284 16.086 -8.754 1.00 34.44 H new ATOM 0 HG2 GLU A 26 -2.493 14.111 -7.525 1.00 5.22 H new ATOM 0 HG3 GLU A 26 -3.962 14.137 -8.480 1.00 5.22 H new ATOM 404 N ASP A 27 -4.133 13.540 -11.687 1.00 50.45 N ATOM 405 CA ASP A 27 -4.183 12.379 -12.567 1.00 71.45 C ATOM 406 C ASP A 27 -4.557 12.789 -13.988 1.00 60.14 C ATOM 407 O ASP A 27 -4.855 11.943 -14.830 1.00 74.42 O ATOM 408 CB ASP A 27 -5.188 11.354 -12.038 1.00 41.11 C ATOM 409 CG ASP A 27 -5.112 10.033 -12.778 1.00 1.11 C ATOM 410 OD1 ASP A 27 -4.024 9.419 -12.787 1.00 12.24 O ATOM 411 OD2 ASP A 27 -6.140 9.613 -13.347 1.00 74.45 O ATOM 0 H ASP A 27 -4.993 13.711 -11.165 1.00 50.45 H new ATOM 0 HA ASP A 27 -3.191 11.927 -12.588 1.00 71.45 H new ATOM 0 HB2 ASP A 27 -5.005 11.184 -10.977 1.00 41.11 H new ATOM 0 HB3 ASP A 27 -6.196 11.759 -12.126 1.00 41.11 H new ATOM 416 N GLU A 28 -4.539 14.093 -14.247 1.00 32.15 N ATOM 417 CA GLU A 28 -4.878 14.615 -15.565 1.00 74.53 C ATOM 418 C GLU A 28 -3.740 14.377 -16.554 1.00 12.04 C ATOM 419 O GLU A 28 -3.885 14.618 -17.752 1.00 42.34 O ATOM 420 CB GLU A 28 -5.192 16.110 -15.482 1.00 31.25 C ATOM 421 CG GLU A 28 -6.676 16.415 -15.366 1.00 31.24 C ATOM 422 CD GLU A 28 -7.309 16.748 -16.703 1.00 35.45 C ATOM 423 OE1 GLU A 28 -6.685 17.492 -17.487 1.00 23.50 O ATOM 424 OE2 GLU A 28 -8.431 16.263 -16.964 1.00 44.31 O ATOM 0 H GLU A 28 -4.293 14.807 -13.561 1.00 32.15 H new ATOM 0 HA GLU A 28 -5.762 14.085 -15.920 1.00 74.53 H new ATOM 0 HB2 GLU A 28 -4.674 16.534 -14.622 1.00 31.25 H new ATOM 0 HB3 GLU A 28 -4.796 16.606 -16.368 1.00 31.25 H new ATOM 0 HG2 GLU A 28 -7.187 15.556 -14.930 1.00 31.24 H new ATOM 0 HG3 GLU A 28 -6.819 17.252 -14.682 1.00 31.24 H new ATOM 431 N ILE A 29 -2.609 13.904 -16.042 1.00 32.44 N ATOM 432 CA ILE A 29 -1.447 13.633 -16.878 1.00 42.14 C ATOM 433 C ILE A 29 -1.807 12.711 -18.038 1.00 60.31 C ATOM 434 O ILE A 29 -2.090 11.528 -17.842 1.00 2.34 O ATOM 435 CB ILE A 29 -0.304 12.996 -16.066 1.00 33.51 C ATOM 436 CG1 ILE A 29 0.140 13.937 -14.944 1.00 70.33 C ATOM 437 CG2 ILE A 29 0.867 12.656 -16.975 1.00 42.44 C ATOM 438 CD1 ILE A 29 0.594 15.293 -15.438 1.00 32.34 C ATOM 0 H ILE A 29 -2.473 13.701 -15.052 1.00 32.44 H new ATOM 0 HA ILE A 29 -1.111 14.593 -17.271 1.00 42.14 H new ATOM 0 HB ILE A 29 -0.669 12.072 -15.617 1.00 33.51 H new ATOM 0 HG12 ILE A 29 -0.686 14.071 -14.245 1.00 70.33 H new ATOM 0 HG13 ILE A 29 0.954 13.470 -14.390 1.00 70.33 H new ATOM 0 HG21 ILE A 29 1.666 12.207 -16.386 1.00 42.44 H new ATOM 0 HG22 ILE A 29 0.541 11.952 -17.741 1.00 42.44 H new ATOM 0 HG23 ILE A 29 1.234 13.565 -17.451 1.00 42.44 H new ATOM 0 HD11 ILE A 29 0.894 15.908 -14.589 1.00 32.34 H new ATOM 0 HD12 ILE A 29 1.440 15.169 -16.114 1.00 32.34 H new ATOM 0 HD13 ILE A 29 -0.225 15.780 -15.967 1.00 32.34 H new ATOM 450 N THR A 30 -1.793 13.259 -19.249 1.00 71.44 N ATOM 451 CA THR A 30 -2.117 12.486 -20.442 1.00 34.34 C ATOM 452 C THR A 30 -1.735 13.242 -21.708 1.00 43.54 C ATOM 453 O THR A 30 -1.513 14.453 -21.678 1.00 42.52 O ATOM 454 CB THR A 30 -3.618 12.141 -20.497 1.00 24.13 C ATOM 455 OG1 THR A 30 -3.920 11.466 -21.723 1.00 34.23 O ATOM 456 CG2 THR A 30 -4.466 13.398 -20.381 1.00 75.01 C ATOM 0 H THR A 30 -1.561 14.236 -19.430 1.00 71.44 H new ATOM 0 HA THR A 30 -1.541 11.563 -20.386 1.00 34.34 H new ATOM 0 HB THR A 30 -3.850 11.487 -19.656 1.00 24.13 H new ATOM 0 HG1 THR A 30 -4.875 11.248 -21.750 1.00 34.23 H new ATOM 0 HG21 THR A 30 -5.522 13.130 -20.422 1.00 75.01 H new ATOM 0 HG22 THR A 30 -4.254 13.894 -19.434 1.00 75.01 H new ATOM 0 HG23 THR A 30 -4.231 14.073 -21.204 1.00 75.01 H new ATOM 464 N THR A 31 -1.659 12.522 -22.823 1.00 34.30 N ATOM 465 CA THR A 31 -1.303 13.125 -24.101 1.00 0.12 C ATOM 466 C THR A 31 -2.476 13.901 -24.689 1.00 11.14 C ATOM 467 O THR A 31 -2.292 14.775 -25.536 1.00 13.44 O ATOM 468 CB THR A 31 -0.846 12.061 -25.116 1.00 45.24 C ATOM 469 OG1 THR A 31 0.476 11.613 -24.795 1.00 41.51 O ATOM 470 CG2 THR A 31 -0.867 12.619 -26.531 1.00 54.15 C ATOM 0 H THR A 31 -1.840 11.519 -22.866 1.00 34.30 H new ATOM 0 HA THR A 31 -0.478 13.811 -23.908 1.00 0.12 H new ATOM 0 HB THR A 31 -1.537 11.220 -25.063 1.00 45.24 H new ATOM 0 HG1 THR A 31 0.964 12.332 -24.342 1.00 41.51 H new ATOM 0 HG21 THR A 31 -0.540 11.849 -27.230 1.00 54.15 H new ATOM 0 HG22 THR A 31 -1.880 12.933 -26.783 1.00 54.15 H new ATOM 0 HG23 THR A 31 -0.196 13.475 -26.594 1.00 54.15 H new ATOM 478 N ASP A 32 -3.681 13.577 -24.234 1.00 32.43 N ATOM 479 CA ASP A 32 -4.885 14.245 -24.714 1.00 12.14 C ATOM 480 C ASP A 32 -5.255 15.415 -23.807 1.00 33.20 C ATOM 481 O ASP A 32 -6.422 15.798 -23.716 1.00 64.14 O ATOM 482 CB ASP A 32 -6.048 13.255 -24.790 1.00 32.33 C ATOM 483 CG ASP A 32 -6.146 12.579 -26.144 1.00 10.55 C ATOM 484 OD1 ASP A 32 -5.091 12.210 -26.700 1.00 62.22 O ATOM 485 OD2 ASP A 32 -7.278 12.420 -26.646 1.00 61.11 O ATOM 0 H ASP A 32 -3.850 12.856 -23.533 1.00 32.43 H new ATOM 0 HA ASP A 32 -4.682 14.632 -25.713 1.00 12.14 H new ATOM 0 HB2 ASP A 32 -5.927 12.497 -24.017 1.00 32.33 H new ATOM 0 HB3 ASP A 32 -6.981 13.778 -24.580 1.00 32.33 H new ATOM 490 N SER A 33 -4.255 15.977 -23.137 1.00 3.22 N ATOM 491 CA SER A 33 -4.476 17.100 -22.233 1.00 43.12 C ATOM 492 C SER A 33 -3.687 18.325 -22.686 1.00 2.12 C ATOM 493 O SER A 33 -4.259 19.382 -22.951 1.00 51.30 O ATOM 494 CB SER A 33 -4.075 16.720 -20.806 1.00 54.33 C ATOM 495 OG SER A 33 -5.177 16.184 -20.093 1.00 45.32 O ATOM 0 H SER A 33 -3.283 15.673 -23.203 1.00 3.22 H new ATOM 0 HA SER A 33 -5.538 17.346 -22.251 1.00 43.12 H new ATOM 0 HB2 SER A 33 -3.266 15.990 -20.834 1.00 54.33 H new ATOM 0 HB3 SER A 33 -3.694 17.599 -20.286 1.00 54.33 H new ATOM 0 HG SER A 33 -5.427 16.796 -19.369 1.00 45.32 H new ATOM 501 N ARG A 34 -2.369 18.174 -22.771 1.00 72.15 N ATOM 502 CA ARG A 34 -1.500 19.267 -23.191 1.00 14.25 C ATOM 503 C ARG A 34 -1.640 20.463 -22.252 1.00 61.45 C ATOM 504 O ARG A 34 -2.381 20.412 -21.271 1.00 33.42 O ATOM 505 CB ARG A 34 -1.831 19.689 -24.624 1.00 25.44 C ATOM 506 CG ARG A 34 -1.561 18.605 -25.655 1.00 23.24 C ATOM 507 CD ARG A 34 -1.232 19.200 -27.015 1.00 72.50 C ATOM 508 NE ARG A 34 -2.319 20.030 -27.527 1.00 34.45 N ATOM 509 CZ ARG A 34 -2.458 20.352 -28.808 1.00 4.23 C ATOM 510 NH1 ARG A 34 -1.582 19.916 -29.703 1.00 2.34 N ATOM 511 NH2 ARG A 34 -3.474 21.112 -29.196 1.00 22.10 N ATOM 0 H ARG A 34 -1.880 17.306 -22.555 1.00 72.15 H new ATOM 0 HA ARG A 34 -0.469 18.914 -23.153 1.00 14.25 H new ATOM 0 HB2 ARG A 34 -2.882 19.975 -24.676 1.00 25.44 H new ATOM 0 HB3 ARG A 34 -1.247 20.574 -24.878 1.00 25.44 H new ATOM 0 HG2 ARG A 34 -0.733 17.981 -25.320 1.00 23.24 H new ATOM 0 HG3 ARG A 34 -2.434 17.958 -25.741 1.00 23.24 H new ATOM 0 HD2 ARG A 34 -0.324 19.798 -26.939 1.00 72.50 H new ATOM 0 HD3 ARG A 34 -1.026 18.396 -27.722 1.00 72.50 H new ATOM 0 HE ARG A 34 -3.010 20.382 -26.864 1.00 34.45 H new ATOM 0 HH11 ARG A 34 -0.799 19.332 -29.408 1.00 2.34 H new ATOM 0 HH12 ARG A 34 -1.691 20.165 -30.686 1.00 2.34 H new ATOM 0 HH21 ARG A 34 -4.149 21.450 -28.510 1.00 22.10 H new ATOM 0 HH22 ARG A 34 -3.580 21.359 -30.180 1.00 22.10 H new ATOM 525 N PHE A 35 -0.922 21.537 -22.561 1.00 41.43 N ATOM 526 CA PHE A 35 -0.964 22.745 -21.745 1.00 52.34 C ATOM 527 C PHE A 35 -2.317 23.439 -21.871 1.00 53.41 C ATOM 528 O PHE A 35 -2.745 24.159 -20.968 1.00 60.23 O ATOM 529 CB PHE A 35 0.154 23.705 -22.158 1.00 70.44 C ATOM 530 CG PHE A 35 1.531 23.127 -21.992 1.00 53.51 C ATOM 531 CD1 PHE A 35 1.940 22.619 -20.770 1.00 1.21 C ATOM 532 CD2 PHE A 35 2.415 23.093 -23.058 1.00 62.20 C ATOM 533 CE1 PHE A 35 3.207 22.088 -20.614 1.00 54.41 C ATOM 534 CE2 PHE A 35 3.683 22.563 -22.908 1.00 71.23 C ATOM 535 CZ PHE A 35 4.079 22.059 -21.685 1.00 13.01 C ATOM 0 H PHE A 35 -0.304 21.596 -23.370 1.00 41.43 H new ATOM 0 HA PHE A 35 -0.819 22.455 -20.704 1.00 52.34 H new ATOM 0 HB2 PHE A 35 0.011 23.990 -23.200 1.00 70.44 H new ATOM 0 HB3 PHE A 35 0.077 24.616 -21.565 1.00 70.44 H new ATOM 0 HD1 PHE A 35 1.262 22.638 -19.930 1.00 1.21 H new ATOM 0 HD2 PHE A 35 2.110 23.485 -24.017 1.00 62.20 H new ATOM 0 HE1 PHE A 35 3.515 21.696 -19.656 1.00 54.41 H new ATOM 0 HE2 PHE A 35 4.363 22.543 -23.747 1.00 71.23 H new ATOM 0 HZ PHE A 35 5.069 21.643 -21.566 1.00 13.01 H new ATOM 545 N VAL A 36 -2.987 23.218 -22.998 1.00 44.51 N ATOM 546 CA VAL A 36 -4.291 23.821 -23.243 1.00 53.42 C ATOM 547 C VAL A 36 -5.320 23.337 -22.227 1.00 41.43 C ATOM 548 O VAL A 36 -6.020 24.138 -21.610 1.00 14.55 O ATOM 549 CB VAL A 36 -4.799 23.504 -24.662 1.00 62.23 C ATOM 550 CG1 VAL A 36 -4.045 24.327 -25.696 1.00 21.12 C ATOM 551 CG2 VAL A 36 -4.668 22.017 -24.954 1.00 65.42 C ATOM 0 H VAL A 36 -2.648 22.625 -23.756 1.00 44.51 H new ATOM 0 HA VAL A 36 -4.165 24.899 -23.143 1.00 53.42 H new ATOM 0 HB VAL A 36 -5.854 23.771 -24.720 1.00 62.23 H new ATOM 0 HG11 VAL A 36 -4.418 24.089 -26.692 1.00 21.12 H new ATOM 0 HG12 VAL A 36 -4.195 25.388 -25.496 1.00 21.12 H new ATOM 0 HG13 VAL A 36 -2.982 24.094 -25.641 1.00 21.12 H new ATOM 0 HG21 VAL A 36 -5.031 21.810 -25.961 1.00 65.42 H new ATOM 0 HG22 VAL A 36 -3.621 21.722 -24.878 1.00 65.42 H new ATOM 0 HG23 VAL A 36 -5.257 21.451 -24.232 1.00 65.42 H new ATOM 561 N GLU A 37 -5.404 22.021 -22.060 1.00 13.32 N ATOM 562 CA GLU A 37 -6.348 21.431 -21.118 1.00 73.23 C ATOM 563 C GLU A 37 -5.764 21.401 -19.709 1.00 32.31 C ATOM 564 O GLU A 37 -6.346 21.948 -18.772 1.00 54.03 O ATOM 565 CB GLU A 37 -6.722 20.014 -21.558 1.00 30.43 C ATOM 566 CG GLU A 37 -7.128 19.917 -23.019 1.00 33.54 C ATOM 567 CD GLU A 37 -7.607 18.529 -23.400 1.00 14.30 C ATOM 568 OE1 GLU A 37 -8.243 17.868 -22.552 1.00 52.13 O ATOM 569 OE2 GLU A 37 -7.347 18.105 -24.545 1.00 23.21 O ATOM 0 H GLU A 37 -4.831 21.344 -22.564 1.00 13.32 H new ATOM 0 HA GLU A 37 -7.246 22.049 -21.107 1.00 73.23 H new ATOM 0 HB2 GLU A 37 -5.874 19.352 -21.381 1.00 30.43 H new ATOM 0 HB3 GLU A 37 -7.543 19.655 -20.937 1.00 30.43 H new ATOM 0 HG2 GLU A 37 -7.919 20.639 -23.221 1.00 33.54 H new ATOM 0 HG3 GLU A 37 -6.280 20.190 -23.647 1.00 33.54 H new ATOM 576 N ASP A 38 -4.611 20.757 -19.567 1.00 1.04 N ATOM 577 CA ASP A 38 -3.947 20.655 -18.272 1.00 43.14 C ATOM 578 C ASP A 38 -3.681 22.039 -17.687 1.00 73.23 C ATOM 579 O ASP A 38 -4.163 22.369 -16.602 1.00 65.45 O ATOM 580 CB ASP A 38 -2.632 19.885 -18.409 1.00 34.11 C ATOM 581 CG ASP A 38 -2.036 19.515 -17.065 1.00 44.42 C ATOM 582 OD1 ASP A 38 -2.318 20.223 -16.075 1.00 60.04 O ATOM 583 OD2 ASP A 38 -1.287 18.518 -17.003 1.00 41.10 O ATOM 0 H ASP A 38 -4.117 20.298 -20.332 1.00 1.04 H new ATOM 0 HA ASP A 38 -4.608 20.114 -17.594 1.00 43.14 H new ATOM 0 HB2 ASP A 38 -2.804 18.978 -18.989 1.00 34.11 H new ATOM 0 HB3 ASP A 38 -1.917 20.489 -18.967 1.00 34.11 H new ATOM 588 N LEU A 39 -2.912 22.844 -18.412 1.00 13.13 N ATOM 589 CA LEU A 39 -2.582 24.193 -17.964 1.00 65.34 C ATOM 590 C LEU A 39 -3.625 25.197 -18.444 1.00 31.34 C ATOM 591 O LEU A 39 -4.535 24.850 -19.195 1.00 35.43 O ATOM 592 CB LEU A 39 -1.197 24.596 -18.475 1.00 72.44 C ATOM 593 CG LEU A 39 -0.017 24.231 -17.574 1.00 41.50 C ATOM 594 CD1 LEU A 39 1.299 24.599 -18.243 1.00 33.22 C ATOM 595 CD2 LEU A 39 -0.143 24.924 -16.225 1.00 21.33 C ATOM 0 H LEU A 39 -2.506 22.587 -19.311 1.00 13.13 H new ATOM 0 HA LEU A 39 -2.576 24.196 -16.874 1.00 65.34 H new ATOM 0 HB2 LEU A 39 -1.042 24.132 -19.449 1.00 72.44 H new ATOM 0 HB3 LEU A 39 -1.189 25.675 -18.631 1.00 72.44 H new ATOM 0 HG LEU A 39 -0.029 23.153 -17.410 1.00 41.50 H new ATOM 0 HD11 LEU A 39 2.128 24.332 -17.587 1.00 33.22 H new ATOM 0 HD12 LEU A 39 1.392 24.058 -19.184 1.00 33.22 H new ATOM 0 HD13 LEU A 39 1.321 25.671 -18.437 1.00 33.22 H new ATOM 0 HD21 LEU A 39 0.705 24.653 -15.596 1.00 21.33 H new ATOM 0 HD22 LEU A 39 -0.156 26.004 -16.371 1.00 21.33 H new ATOM 0 HD23 LEU A 39 -1.068 24.612 -15.741 1.00 21.33 H new ATOM 607 N ASN A 40 -3.484 26.443 -18.005 1.00 52.53 N ATOM 608 CA ASN A 40 -4.414 27.499 -18.391 1.00 70.20 C ATOM 609 C ASN A 40 -3.751 28.484 -19.349 1.00 13.43 C ATOM 610 O ASN A 40 -3.875 29.698 -19.190 1.00 11.41 O ATOM 611 CB ASN A 40 -4.922 28.238 -17.151 1.00 62.04 C ATOM 612 CG ASN A 40 -3.792 28.790 -16.304 1.00 43.43 C ATOM 613 OD1 ASN A 40 -2.624 28.725 -16.689 1.00 1.15 O ATOM 614 ND2 ASN A 40 -4.135 29.338 -15.144 1.00 51.14 N ATOM 0 H ASN A 40 -2.736 26.747 -17.382 1.00 52.53 H new ATOM 0 HA ASN A 40 -5.259 27.037 -18.901 1.00 70.20 H new ATOM 0 HB2 ASN A 40 -5.574 29.055 -17.460 1.00 62.04 H new ATOM 0 HB3 ASN A 40 -5.526 27.559 -16.549 1.00 62.04 H new ATOM 0 HD21 ASN A 40 -3.418 29.727 -14.532 1.00 51.14 H new ATOM 0 HD22 ASN A 40 -5.116 29.370 -14.865 1.00 51.14 H new ATOM 621 N ALA A 41 -3.048 27.953 -20.343 1.00 71.22 N ATOM 622 CA ALA A 41 -2.368 28.785 -21.328 1.00 72.21 C ATOM 623 C ALA A 41 -1.965 27.969 -22.551 1.00 63.24 C ATOM 624 O ALA A 41 -2.141 26.751 -22.583 1.00 31.23 O ATOM 625 CB ALA A 41 -1.147 29.447 -20.707 1.00 13.12 C ATOM 0 H ALA A 41 -2.934 26.950 -20.488 1.00 71.22 H new ATOM 0 HA ALA A 41 -3.062 29.560 -21.653 1.00 72.21 H new ATOM 0 HB1 ALA A 41 -0.649 30.065 -21.454 1.00 13.12 H new ATOM 0 HB2 ALA A 41 -1.458 30.070 -19.869 1.00 13.12 H new ATOM 0 HB3 ALA A 41 -0.458 28.680 -20.353 1.00 13.12 H new ATOM 631 N ASP A 42 -1.423 28.647 -23.557 1.00 54.40 N ATOM 632 CA ASP A 42 -0.994 27.985 -24.783 1.00 74.23 C ATOM 633 C ASP A 42 0.514 27.759 -24.780 1.00 22.45 C ATOM 634 O ASP A 42 1.251 28.434 -24.062 1.00 4.41 O ATOM 635 CB ASP A 42 -1.395 28.815 -26.004 1.00 32.12 C ATOM 636 CG ASP A 42 -2.839 29.272 -25.944 1.00 54.11 C ATOM 637 OD1 ASP A 42 -3.732 28.406 -25.829 1.00 71.13 O ATOM 638 OD2 ASP A 42 -3.077 30.496 -26.011 1.00 71.05 O ATOM 0 H ASP A 42 -1.270 29.655 -23.547 1.00 54.40 H new ATOM 0 HA ASP A 42 -1.489 27.015 -24.834 1.00 74.23 H new ATOM 0 HB2 ASP A 42 -0.744 29.686 -26.077 1.00 32.12 H new ATOM 0 HB3 ASP A 42 -1.241 28.225 -26.907 1.00 32.12 H new ATOM 643 N SER A 43 0.966 26.803 -25.585 1.00 62.03 N ATOM 644 CA SER A 43 2.387 26.484 -25.671 1.00 54.12 C ATOM 645 C SER A 43 3.211 27.741 -25.933 1.00 13.10 C ATOM 646 O SER A 43 4.394 27.803 -25.598 1.00 23.34 O ATOM 647 CB SER A 43 2.634 25.458 -26.779 1.00 4.22 C ATOM 648 OG SER A 43 4.021 25.221 -26.954 1.00 14.42 O ATOM 0 H SER A 43 0.369 26.236 -26.187 1.00 62.03 H new ATOM 0 HA SER A 43 2.698 26.060 -24.716 1.00 54.12 H new ATOM 0 HB2 SER A 43 2.130 24.523 -26.533 1.00 4.22 H new ATOM 0 HB3 SER A 43 2.202 25.816 -27.714 1.00 4.22 H new ATOM 0 HG SER A 43 4.153 24.561 -27.666 1.00 14.42 H new ATOM 654 N LEU A 44 2.577 28.742 -26.534 1.00 73.33 N ATOM 655 CA LEU A 44 3.250 29.999 -26.842 1.00 72.10 C ATOM 656 C LEU A 44 3.948 30.560 -25.607 1.00 34.50 C ATOM 657 O LEU A 44 5.124 30.918 -25.656 1.00 25.34 O ATOM 658 CB LEU A 44 2.246 31.019 -27.382 1.00 34.14 C ATOM 659 CG LEU A 44 1.444 30.587 -28.610 1.00 31.52 C ATOM 660 CD1 LEU A 44 0.542 31.716 -29.083 1.00 61.12 C ATOM 661 CD2 LEU A 44 2.377 30.143 -29.727 1.00 22.22 C ATOM 0 H LEU A 44 1.598 28.708 -26.818 1.00 73.33 H new ATOM 0 HA LEU A 44 4.004 29.802 -27.604 1.00 72.10 H new ATOM 0 HB2 LEU A 44 1.546 31.267 -26.584 1.00 34.14 H new ATOM 0 HB3 LEU A 44 2.785 31.934 -27.628 1.00 34.14 H new ATOM 0 HG LEU A 44 0.816 29.741 -28.331 1.00 31.52 H new ATOM 0 HD11 LEU A 44 -0.021 31.390 -29.958 1.00 61.12 H new ATOM 0 HD12 LEU A 44 -0.151 31.987 -28.286 1.00 61.12 H new ATOM 0 HD13 LEU A 44 1.150 32.582 -29.345 1.00 61.12 H new ATOM 0 HD21 LEU A 44 1.789 29.839 -30.593 1.00 22.22 H new ATOM 0 HD22 LEU A 44 3.031 30.969 -30.005 1.00 22.22 H new ATOM 0 HD23 LEU A 44 2.980 29.302 -29.385 1.00 22.22 H new ATOM 673 N ASP A 45 3.215 30.631 -24.501 1.00 71.42 N ATOM 674 CA ASP A 45 3.764 31.144 -23.252 1.00 2.42 C ATOM 675 C ASP A 45 4.589 30.076 -22.541 1.00 32.14 C ATOM 676 O ASP A 45 5.468 30.389 -21.737 1.00 52.22 O ATOM 677 CB ASP A 45 2.639 31.631 -22.337 1.00 61.20 C ATOM 678 CG ASP A 45 2.405 33.124 -22.451 1.00 1.30 C ATOM 679 OD1 ASP A 45 3.397 33.883 -22.442 1.00 42.05 O ATOM 680 OD2 ASP A 45 1.230 33.534 -22.549 1.00 51.45 O ATOM 0 H ASP A 45 2.239 30.340 -24.445 1.00 71.42 H new ATOM 0 HA ASP A 45 4.418 31.983 -23.489 1.00 2.42 H new ATOM 0 HB2 ASP A 45 1.719 31.102 -22.585 1.00 61.20 H new ATOM 0 HB3 ASP A 45 2.882 31.382 -21.304 1.00 61.20 H new ATOM 685 N ILE A 46 4.298 28.815 -22.841 1.00 23.42 N ATOM 686 CA ILE A 46 5.013 27.701 -22.230 1.00 71.42 C ATOM 687 C ILE A 46 6.433 27.594 -22.775 1.00 23.13 C ATOM 688 O ILE A 46 7.342 27.135 -22.082 1.00 70.02 O ATOM 689 CB ILE A 46 4.283 26.366 -22.467 1.00 74.54 C ATOM 690 CG1 ILE A 46 2.835 26.458 -21.981 1.00 31.42 C ATOM 691 CG2 ILE A 46 5.012 25.231 -21.765 1.00 23.55 C ATOM 692 CD1 ILE A 46 2.711 26.633 -20.484 1.00 12.35 C ATOM 0 H ILE A 46 3.573 28.539 -23.503 1.00 23.42 H new ATOM 0 HA ILE A 46 5.051 27.900 -21.159 1.00 71.42 H new ATOM 0 HB ILE A 46 4.275 26.159 -23.537 1.00 74.54 H new ATOM 0 HG12 ILE A 46 2.346 27.295 -22.478 1.00 31.42 H new ATOM 0 HG13 ILE A 46 2.302 25.555 -22.279 1.00 31.42 H new ATOM 0 HG21 ILE A 46 4.483 24.294 -21.942 1.00 23.55 H new ATOM 0 HG22 ILE A 46 6.027 25.154 -22.155 1.00 23.55 H new ATOM 0 HG23 ILE A 46 5.049 25.430 -20.694 1.00 23.55 H new ATOM 0 HD11 ILE A 46 1.657 26.691 -20.210 1.00 12.35 H new ATOM 0 HD12 ILE A 46 3.171 25.784 -19.979 1.00 12.35 H new ATOM 0 HD13 ILE A 46 3.215 27.551 -20.182 1.00 12.35 H new ATOM 704 N TYR A 47 6.618 28.022 -24.018 1.00 53.35 N ATOM 705 CA TYR A 47 7.928 27.975 -24.657 1.00 34.31 C ATOM 706 C TYR A 47 9.005 28.536 -23.733 1.00 74.43 C ATOM 707 O TYR A 47 9.993 27.865 -23.436 1.00 15.11 O ATOM 708 CB TYR A 47 7.907 28.759 -25.970 1.00 41.00 C ATOM 709 CG TYR A 47 9.230 28.748 -26.703 1.00 13.14 C ATOM 710 CD1 TYR A 47 10.188 29.725 -26.462 1.00 52.22 C ATOM 711 CD2 TYR A 47 9.522 27.760 -27.635 1.00 33.23 C ATOM 712 CE1 TYR A 47 11.397 29.719 -27.130 1.00 1.42 C ATOM 713 CE2 TYR A 47 10.729 27.745 -28.306 1.00 40.30 C ATOM 714 CZ TYR A 47 11.663 28.727 -28.051 1.00 1.45 C ATOM 715 OH TYR A 47 12.867 28.717 -28.717 1.00 2.34 O ATOM 0 H TYR A 47 5.877 28.406 -24.604 1.00 53.35 H new ATOM 0 HA TYR A 47 8.164 26.932 -24.869 1.00 34.31 H new ATOM 0 HB2 TYR A 47 7.138 28.342 -26.620 1.00 41.00 H new ATOM 0 HB3 TYR A 47 7.625 29.791 -25.763 1.00 41.00 H new ATOM 0 HD1 TYR A 47 9.984 30.502 -25.740 1.00 52.22 H new ATOM 0 HD2 TYR A 47 8.792 26.990 -27.838 1.00 33.23 H new ATOM 0 HE1 TYR A 47 12.130 30.487 -26.932 1.00 1.42 H new ATOM 0 HE2 TYR A 47 10.940 26.969 -29.026 1.00 40.30 H new ATOM 0 HH TYR A 47 12.896 27.952 -29.329 1.00 2.34 H new ATOM 725 N GLU A 48 8.804 29.770 -23.283 1.00 4.21 N ATOM 726 CA GLU A 48 9.758 30.422 -22.393 1.00 41.10 C ATOM 727 C GLU A 48 9.894 29.651 -21.083 1.00 4.40 C ATOM 728 O GLU A 48 10.945 29.678 -20.440 1.00 53.10 O ATOM 729 CB GLU A 48 9.322 31.861 -22.108 1.00 65.11 C ATOM 730 CG GLU A 48 9.591 32.817 -23.258 1.00 54.11 C ATOM 731 CD GLU A 48 9.456 34.272 -22.851 1.00 74.51 C ATOM 732 OE1 GLU A 48 8.952 34.531 -21.738 1.00 1.10 O ATOM 733 OE2 GLU A 48 9.853 35.150 -23.645 1.00 32.31 O ATOM 0 H GLU A 48 7.990 30.338 -23.519 1.00 4.21 H new ATOM 0 HA GLU A 48 10.728 30.436 -22.889 1.00 41.10 H new ATOM 0 HB2 GLU A 48 8.256 31.871 -21.880 1.00 65.11 H new ATOM 0 HB3 GLU A 48 9.841 32.220 -21.219 1.00 65.11 H new ATOM 0 HG2 GLU A 48 10.596 32.643 -23.643 1.00 54.11 H new ATOM 0 HG3 GLU A 48 8.897 32.605 -24.071 1.00 54.11 H new ATOM 740 N LEU A 49 8.825 28.966 -20.693 1.00 64.10 N ATOM 741 CA LEU A 49 8.824 28.187 -19.459 1.00 40.43 C ATOM 742 C LEU A 49 9.864 27.073 -19.517 1.00 43.31 C ATOM 743 O LEU A 49 10.789 27.030 -18.705 1.00 30.24 O ATOM 744 CB LEU A 49 7.437 27.593 -19.210 1.00 32.13 C ATOM 745 CG LEU A 49 7.121 27.209 -17.764 1.00 24.23 C ATOM 746 CD1 LEU A 49 6.651 28.424 -16.979 1.00 72.42 C ATOM 747 CD2 LEU A 49 6.074 26.106 -17.721 1.00 70.32 C ATOM 0 H LEU A 49 7.948 28.934 -21.213 1.00 64.10 H new ATOM 0 HA LEU A 49 9.080 28.855 -18.636 1.00 40.43 H new ATOM 0 HB2 LEU A 49 6.690 28.313 -19.545 1.00 32.13 H new ATOM 0 HB3 LEU A 49 7.327 26.705 -19.833 1.00 32.13 H new ATOM 0 HG LEU A 49 8.034 26.834 -17.301 1.00 24.23 H new ATOM 0 HD11 LEU A 49 6.431 28.131 -15.952 1.00 72.42 H new ATOM 0 HD12 LEU A 49 7.433 29.183 -16.980 1.00 72.42 H new ATOM 0 HD13 LEU A 49 5.751 28.830 -17.441 1.00 72.42 H new ATOM 0 HD21 LEU A 49 5.862 25.846 -16.684 1.00 70.32 H new ATOM 0 HD22 LEU A 49 5.160 26.453 -18.202 1.00 70.32 H new ATOM 0 HD23 LEU A 49 6.449 25.228 -18.246 1.00 70.32 H new ATOM 759 N LEU A 50 9.709 26.175 -20.484 1.00 15.34 N ATOM 760 CA LEU A 50 10.636 25.061 -20.650 1.00 12.53 C ATOM 761 C LEU A 50 11.980 25.547 -21.184 1.00 74.31 C ATOM 762 O LEU A 50 13.024 24.970 -20.881 1.00 5.33 O ATOM 763 CB LEU A 50 10.044 24.017 -21.598 1.00 23.34 C ATOM 764 CG LEU A 50 9.410 24.557 -22.880 1.00 33.42 C ATOM 765 CD1 LEU A 50 10.170 24.063 -24.101 1.00 4.03 C ATOM 766 CD2 LEU A 50 7.945 24.151 -22.962 1.00 3.23 C ATOM 0 H LEU A 50 8.950 26.197 -21.165 1.00 15.34 H new ATOM 0 HA LEU A 50 10.798 24.605 -19.673 1.00 12.53 H new ATOM 0 HB2 LEU A 50 10.833 23.317 -21.874 1.00 23.34 H new ATOM 0 HB3 LEU A 50 9.289 23.449 -21.055 1.00 23.34 H new ATOM 0 HG LEU A 50 9.465 25.645 -22.859 1.00 33.42 H new ATOM 0 HD11 LEU A 50 9.704 24.458 -25.004 1.00 4.03 H new ATOM 0 HD12 LEU A 50 11.204 24.403 -24.048 1.00 4.03 H new ATOM 0 HD13 LEU A 50 10.147 22.974 -24.128 1.00 4.03 H new ATOM 0 HD21 LEU A 50 7.509 24.544 -23.881 1.00 3.23 H new ATOM 0 HD22 LEU A 50 7.868 23.064 -22.960 1.00 3.23 H new ATOM 0 HD23 LEU A 50 7.407 24.554 -22.104 1.00 3.23 H new ATOM 778 N TYR A 51 11.945 26.610 -21.979 1.00 11.31 N ATOM 779 CA TYR A 51 13.160 27.173 -22.556 1.00 11.32 C ATOM 780 C TYR A 51 14.126 27.619 -21.462 1.00 64.45 C ATOM 781 O TYR A 51 15.305 27.262 -21.476 1.00 43.03 O ATOM 782 CB TYR A 51 12.818 28.357 -23.463 1.00 21.43 C ATOM 783 CG TYR A 51 14.020 29.187 -23.853 1.00 53.22 C ATOM 784 CD1 TYR A 51 15.218 28.584 -24.216 1.00 34.41 C ATOM 785 CD2 TYR A 51 13.958 30.575 -23.858 1.00 52.14 C ATOM 786 CE1 TYR A 51 16.318 29.338 -24.573 1.00 4.23 C ATOM 787 CE2 TYR A 51 15.053 31.338 -24.215 1.00 70.32 C ATOM 788 CZ TYR A 51 16.231 30.715 -24.571 1.00 70.33 C ATOM 789 OH TYR A 51 17.325 31.471 -24.926 1.00 34.10 O ATOM 0 H TYR A 51 11.089 27.099 -22.239 1.00 11.31 H new ATOM 0 HA TYR A 51 13.644 26.397 -23.149 1.00 11.32 H new ATOM 0 HB2 TYR A 51 12.335 27.984 -24.367 1.00 21.43 H new ATOM 0 HB3 TYR A 51 12.095 28.996 -22.956 1.00 21.43 H new ATOM 0 HD1 TYR A 51 15.290 27.506 -24.219 1.00 34.41 H new ATOM 0 HD2 TYR A 51 13.038 31.066 -23.578 1.00 52.14 H new ATOM 0 HE1 TYR A 51 17.242 28.853 -24.852 1.00 4.23 H new ATOM 0 HE2 TYR A 51 14.987 32.416 -24.215 1.00 70.32 H new ATOM 0 HH TYR A 51 17.096 32.422 -24.873 1.00 34.10 H new ATOM 799 N LEU A 52 13.619 28.400 -20.516 1.00 34.24 N ATOM 800 CA LEU A 52 14.435 28.895 -19.413 1.00 21.34 C ATOM 801 C LEU A 52 14.708 27.789 -18.398 1.00 61.33 C ATOM 802 O LEU A 52 15.721 27.811 -17.697 1.00 73.52 O ATOM 803 CB LEU A 52 13.740 30.072 -18.726 1.00 64.10 C ATOM 804 CG LEU A 52 14.048 31.457 -19.295 1.00 3.52 C ATOM 805 CD1 LEU A 52 13.553 31.568 -20.728 1.00 53.42 C ATOM 806 CD2 LEU A 52 13.424 32.541 -18.427 1.00 61.23 C ATOM 0 H LEU A 52 12.646 28.705 -20.490 1.00 34.24 H new ATOM 0 HA LEU A 52 15.388 29.232 -19.822 1.00 21.34 H new ATOM 0 HB2 LEU A 52 12.663 29.912 -18.776 1.00 64.10 H new ATOM 0 HB3 LEU A 52 14.015 30.065 -17.671 1.00 64.10 H new ATOM 0 HG LEU A 52 15.129 31.597 -19.295 1.00 3.52 H new ATOM 0 HD11 LEU A 52 13.781 32.561 -21.116 1.00 53.42 H new ATOM 0 HD12 LEU A 52 14.047 30.816 -21.343 1.00 53.42 H new ATOM 0 HD13 LEU A 52 12.475 31.407 -20.754 1.00 53.42 H new ATOM 0 HD21 LEU A 52 13.653 33.520 -18.847 1.00 61.23 H new ATOM 0 HD22 LEU A 52 12.343 32.404 -18.395 1.00 61.23 H new ATOM 0 HD23 LEU A 52 13.828 32.476 -17.417 1.00 61.23 H new ATOM 818 N LEU A 53 13.800 26.822 -18.327 1.00 21.43 N ATOM 819 CA LEU A 53 13.944 25.705 -17.400 1.00 33.55 C ATOM 820 C LEU A 53 15.164 24.860 -17.750 1.00 24.42 C ATOM 821 O LEU A 53 16.001 24.577 -16.893 1.00 62.31 O ATOM 822 CB LEU A 53 12.685 24.835 -17.419 1.00 1.34 C ATOM 823 CG LEU A 53 11.806 24.900 -16.169 1.00 73.04 C ATOM 824 CD1 LEU A 53 11.477 26.344 -15.822 1.00 71.42 C ATOM 825 CD2 LEU A 53 10.531 24.095 -16.373 1.00 34.45 C ATOM 0 H LEU A 53 12.957 26.789 -18.900 1.00 21.43 H new ATOM 0 HA LEU A 53 14.082 26.112 -16.398 1.00 33.55 H new ATOM 0 HB2 LEU A 53 12.081 25.124 -18.279 1.00 1.34 H new ATOM 0 HB3 LEU A 53 12.986 23.799 -17.574 1.00 1.34 H new ATOM 0 HG LEU A 53 12.358 24.465 -15.336 1.00 73.04 H new ATOM 0 HD11 LEU A 53 10.851 26.370 -14.930 1.00 71.42 H new ATOM 0 HD12 LEU A 53 12.400 26.892 -15.634 1.00 71.42 H new ATOM 0 HD13 LEU A 53 10.944 26.806 -16.653 1.00 71.42 H new ATOM 0 HD21 LEU A 53 9.917 24.152 -15.474 1.00 34.45 H new ATOM 0 HD22 LEU A 53 9.975 24.501 -17.218 1.00 34.45 H new ATOM 0 HD23 LEU A 53 10.786 23.054 -16.573 1.00 34.45 H new ATOM 837 N GLU A 54 15.259 24.462 -19.015 1.00 4.03 N ATOM 838 CA GLU A 54 16.379 23.651 -19.478 1.00 22.33 C ATOM 839 C GLU A 54 17.697 24.403 -19.322 1.00 4.41 C ATOM 840 O GLU A 54 18.748 23.798 -19.112 1.00 31.00 O ATOM 841 CB GLU A 54 16.177 23.251 -20.941 1.00 24.22 C ATOM 842 CG GLU A 54 16.708 24.275 -21.930 1.00 73.33 C ATOM 843 CD GLU A 54 16.143 24.085 -23.325 1.00 0.12 C ATOM 844 OE1 GLU A 54 14.982 24.484 -23.555 1.00 5.11 O ATOM 845 OE2 GLU A 54 16.863 23.538 -24.186 1.00 72.42 O ATOM 0 H GLU A 54 14.575 24.688 -19.737 1.00 4.03 H new ATOM 0 HA GLU A 54 16.420 22.751 -18.865 1.00 22.33 H new ATOM 0 HB2 GLU A 54 16.671 22.296 -21.119 1.00 24.22 H new ATOM 0 HB3 GLU A 54 15.113 23.099 -21.124 1.00 24.22 H new ATOM 0 HG2 GLU A 54 16.464 25.277 -21.576 1.00 73.33 H new ATOM 0 HG3 GLU A 54 17.795 24.207 -21.970 1.00 73.33 H new ATOM 852 N GLU A 55 17.632 25.727 -19.427 1.00 5.01 N ATOM 853 CA GLU A 55 18.821 26.562 -19.299 1.00 40.01 C ATOM 854 C GLU A 55 19.376 26.505 -17.879 1.00 14.44 C ATOM 855 O GLU A 55 20.565 26.729 -17.656 1.00 21.10 O ATOM 856 CB GLU A 55 18.497 28.010 -19.675 1.00 23.44 C ATOM 857 CG GLU A 55 19.696 28.940 -19.601 1.00 0.35 C ATOM 858 CD GLU A 55 19.504 30.205 -20.414 1.00 14.40 C ATOM 859 OE1 GLU A 55 19.587 30.130 -21.658 1.00 1.44 O ATOM 860 OE2 GLU A 55 19.269 31.271 -19.806 1.00 70.10 O ATOM 0 H GLU A 55 16.770 26.244 -19.600 1.00 5.01 H new ATOM 0 HA GLU A 55 19.579 26.178 -19.982 1.00 40.01 H new ATOM 0 HB2 GLU A 55 18.092 28.032 -20.687 1.00 23.44 H new ATOM 0 HB3 GLU A 55 17.717 28.383 -19.012 1.00 23.44 H new ATOM 0 HG2 GLU A 55 19.881 29.206 -18.560 1.00 0.35 H new ATOM 0 HG3 GLU A 55 20.582 28.414 -19.958 1.00 0.35 H new ATOM 867 N ALA A 56 18.504 26.205 -16.921 1.00 42.41 N ATOM 868 CA ALA A 56 18.906 26.118 -15.523 1.00 31.23 C ATOM 869 C ALA A 56 19.548 24.768 -15.219 1.00 53.23 C ATOM 870 O ALA A 56 20.277 24.623 -14.238 1.00 35.42 O ATOM 871 CB ALA A 56 17.708 26.351 -14.614 1.00 21.01 C ATOM 0 H ALA A 56 17.515 26.018 -17.088 1.00 42.41 H new ATOM 0 HA ALA A 56 19.648 26.894 -15.335 1.00 31.23 H new ATOM 0 HB1 ALA A 56 18.023 26.283 -13.573 1.00 21.01 H new ATOM 0 HB2 ALA A 56 17.294 27.341 -14.804 1.00 21.01 H new ATOM 0 HB3 ALA A 56 16.948 25.596 -14.813 1.00 21.01 H new ATOM 877 N PHE A 57 19.272 23.783 -16.067 1.00 53.04 N ATOM 878 CA PHE A 57 19.821 22.444 -15.889 1.00 1.12 C ATOM 879 C PHE A 57 20.880 22.145 -16.946 1.00 3.43 C ATOM 880 O PHE A 57 21.458 21.059 -16.971 1.00 61.51 O ATOM 881 CB PHE A 57 18.706 21.399 -15.958 1.00 71.34 C ATOM 882 CG PHE A 57 17.449 21.815 -15.250 1.00 12.21 C ATOM 883 CD1 PHE A 57 17.505 22.380 -13.986 1.00 11.11 C ATOM 884 CD2 PHE A 57 16.211 21.642 -15.848 1.00 10.50 C ATOM 885 CE1 PHE A 57 16.350 22.763 -13.332 1.00 15.45 C ATOM 886 CE2 PHE A 57 15.052 22.024 -15.199 1.00 1.34 C ATOM 887 CZ PHE A 57 15.122 22.587 -13.939 1.00 73.50 C ATOM 0 H PHE A 57 18.671 23.887 -16.885 1.00 53.04 H new ATOM 0 HA PHE A 57 20.291 22.399 -14.907 1.00 1.12 H new ATOM 0 HB2 PHE A 57 18.474 21.196 -17.003 1.00 71.34 H new ATOM 0 HB3 PHE A 57 19.066 20.466 -15.524 1.00 71.34 H new ATOM 0 HD1 PHE A 57 18.462 22.523 -13.507 1.00 11.11 H new ATOM 0 HD2 PHE A 57 16.151 21.203 -16.833 1.00 10.50 H new ATOM 0 HE1 PHE A 57 16.407 23.200 -12.346 1.00 15.45 H new ATOM 0 HE2 PHE A 57 14.093 21.883 -15.676 1.00 1.34 H new ATOM 0 HZ PHE A 57 14.218 22.889 -13.430 1.00 73.50 H new ATOM 897 N ASP A 58 21.129 23.117 -17.816 1.00 50.35 N ATOM 898 CA ASP A 58 22.119 22.960 -18.876 1.00 34.00 C ATOM 899 C ASP A 58 21.838 21.707 -19.700 1.00 23.03 C ATOM 900 O ASP A 58 22.540 20.702 -19.578 1.00 54.41 O ATOM 901 CB ASP A 58 23.526 22.891 -18.282 1.00 23.40 C ATOM 902 CG ASP A 58 23.866 24.113 -17.452 1.00 54.34 C ATOM 903 OD1 ASP A 58 23.341 25.204 -17.761 1.00 12.15 O ATOM 904 OD2 ASP A 58 24.655 23.979 -16.495 1.00 2.45 O ATOM 0 H ASP A 58 20.659 24.022 -17.809 1.00 50.35 H new ATOM 0 HA ASP A 58 22.053 23.827 -19.533 1.00 34.00 H new ATOM 0 HB2 ASP A 58 23.612 21.999 -17.661 1.00 23.40 H new ATOM 0 HB3 ASP A 58 24.253 22.790 -19.088 1.00 23.40 H new ATOM 909 N ASP A 59 20.809 21.773 -20.536 1.00 53.44 N ATOM 910 CA ASP A 59 20.435 20.644 -21.381 1.00 3.45 C ATOM 911 C ASP A 59 19.482 21.085 -22.487 1.00 32.12 C ATOM 912 O ASP A 59 18.612 21.930 -22.272 1.00 64.13 O ATOM 913 CB ASP A 59 19.787 19.544 -20.539 1.00 74.14 C ATOM 914 CG ASP A 59 18.807 20.094 -19.522 1.00 11.51 C ATOM 915 OD1 ASP A 59 18.210 21.159 -19.789 1.00 25.54 O ATOM 916 OD2 ASP A 59 18.637 19.462 -18.458 1.00 61.24 O ATOM 0 H ASP A 59 20.218 22.597 -20.647 1.00 53.44 H new ATOM 0 HA ASP A 59 21.341 20.251 -21.843 1.00 3.45 H new ATOM 0 HB2 ASP A 59 19.270 18.845 -21.196 1.00 74.14 H new ATOM 0 HB3 ASP A 59 20.564 18.981 -20.022 1.00 74.14 H new ATOM 921 N LYS A 60 19.651 20.508 -23.672 1.00 24.35 N ATOM 922 CA LYS A 60 18.807 20.840 -24.813 1.00 33.42 C ATOM 923 C LYS A 60 17.447 20.157 -24.700 1.00 64.44 C ATOM 924 O LYS A 60 17.366 18.950 -24.467 1.00 1.30 O ATOM 925 CB LYS A 60 19.491 20.426 -26.117 1.00 60.45 C ATOM 926 CG LYS A 60 20.567 21.395 -26.574 1.00 43.21 C ATOM 927 CD LYS A 60 21.006 21.110 -28.000 1.00 63.35 C ATOM 928 CE LYS A 60 22.233 21.925 -28.380 1.00 21.12 C ATOM 929 NZ LYS A 60 22.497 21.881 -29.845 1.00 12.22 N ATOM 0 H LYS A 60 20.366 19.807 -23.867 1.00 24.35 H new ATOM 0 HA LYS A 60 18.653 21.919 -24.818 1.00 33.42 H new ATOM 0 HB2 LYS A 60 19.934 19.439 -25.987 1.00 60.45 H new ATOM 0 HB3 LYS A 60 18.738 20.337 -26.900 1.00 60.45 H new ATOM 0 HG2 LYS A 60 20.191 22.416 -26.505 1.00 43.21 H new ATOM 0 HG3 LYS A 60 21.427 21.326 -25.907 1.00 43.21 H new ATOM 0 HD2 LYS A 60 21.226 20.048 -28.109 1.00 63.35 H new ATOM 0 HD3 LYS A 60 20.190 21.338 -28.685 1.00 63.35 H new ATOM 0 HE2 LYS A 60 22.093 22.960 -28.067 1.00 21.12 H new ATOM 0 HE3 LYS A 60 23.102 21.545 -27.843 1.00 21.12 H new ATOM 0 HZ1 LYS A 60 23.341 22.448 -30.063 1.00 12.22 H new ATOM 0 HZ2 LYS A 60 22.656 20.896 -30.140 1.00 12.22 H new ATOM 0 HZ3 LYS A 60 21.678 22.267 -30.357 1.00 12.22 H new ATOM 943 N ILE A 61 16.384 20.935 -24.869 1.00 73.22 N ATOM 944 CA ILE A 61 15.029 20.403 -24.789 1.00 53.42 C ATOM 945 C ILE A 61 14.691 19.571 -26.021 1.00 40.04 C ATOM 946 O ILE A 61 14.353 18.391 -25.930 1.00 63.53 O ATOM 947 CB ILE A 61 13.990 21.531 -24.645 1.00 35.14 C ATOM 948 CG1 ILE A 61 13.794 21.888 -23.170 1.00 2.13 C ATOM 949 CG2 ILE A 61 12.668 21.117 -25.275 1.00 10.15 C ATOM 950 CD1 ILE A 61 13.037 20.837 -22.389 1.00 25.25 C ATOM 0 H ILE A 61 16.434 21.935 -25.062 1.00 73.22 H new ATOM 0 HA ILE A 61 14.991 19.768 -23.904 1.00 53.42 H new ATOM 0 HB ILE A 61 14.359 22.414 -25.168 1.00 35.14 H new ATOM 0 HG12 ILE A 61 14.770 22.039 -22.708 1.00 2.13 H new ATOM 0 HG13 ILE A 61 13.259 22.835 -23.102 1.00 2.13 H new ATOM 0 HG21 ILE A 61 11.944 21.924 -25.165 1.00 10.15 H new ATOM 0 HG22 ILE A 61 12.820 20.907 -26.334 1.00 10.15 H new ATOM 0 HG23 ILE A 61 12.292 20.223 -24.778 1.00 10.15 H new ATOM 0 HD11 ILE A 61 12.936 21.157 -21.352 1.00 25.25 H new ATOM 0 HD12 ILE A 61 12.047 20.702 -22.825 1.00 25.25 H new ATOM 0 HD13 ILE A 61 13.582 19.894 -22.426 1.00 25.25 H new ATOM 962 N PRO A 62 14.785 20.198 -27.203 1.00 43.32 N ATOM 963 CA PRO A 62 14.496 19.534 -28.477 1.00 62.35 C ATOM 964 C PRO A 62 15.547 18.489 -28.838 1.00 35.44 C ATOM 965 O PRO A 62 15.417 17.786 -29.839 1.00 62.14 O ATOM 966 CB PRO A 62 14.516 20.682 -29.489 1.00 51.31 C ATOM 967 CG PRO A 62 15.393 21.716 -28.871 1.00 53.23 C ATOM 968 CD PRO A 62 15.182 21.604 -27.387 1.00 11.54 C ATOM 0 HA PRO A 62 13.552 18.990 -28.447 1.00 62.35 H new ATOM 0 HB2 PRO A 62 14.908 20.354 -30.452 1.00 51.31 H new ATOM 0 HB3 PRO A 62 13.513 21.069 -29.668 1.00 51.31 H new ATOM 0 HG2 PRO A 62 16.438 21.547 -29.130 1.00 53.23 H new ATOM 0 HG3 PRO A 62 15.133 22.712 -29.228 1.00 53.23 H new ATOM 0 HD2 PRO A 62 16.091 21.841 -26.833 1.00 11.54 H new ATOM 0 HD3 PRO A 62 14.409 22.289 -27.038 1.00 11.54 H new ATOM 976 N GLU A 63 16.585 18.392 -28.014 1.00 5.01 N ATOM 977 CA GLU A 63 17.658 17.432 -28.247 1.00 51.04 C ATOM 978 C GLU A 63 17.645 16.333 -27.189 1.00 13.24 C ATOM 979 O GLU A 63 17.408 15.165 -27.494 1.00 50.31 O ATOM 980 CB GLU A 63 19.015 18.139 -28.247 1.00 53.41 C ATOM 981 CG GLU A 63 19.997 17.572 -29.257 1.00 65.53 C ATOM 982 CD GLU A 63 19.851 18.199 -30.630 1.00 73.41 C ATOM 983 OE1 GLU A 63 18.739 18.136 -31.196 1.00 65.51 O ATOM 984 OE2 GLU A 63 20.848 18.753 -31.138 1.00 71.11 O ATOM 0 H GLU A 63 16.706 18.966 -27.180 1.00 5.01 H new ATOM 0 HA GLU A 63 17.495 16.975 -29.223 1.00 51.04 H new ATOM 0 HB2 GLU A 63 18.863 19.198 -28.456 1.00 53.41 H new ATOM 0 HB3 GLU A 63 19.451 18.070 -27.250 1.00 53.41 H new ATOM 0 HG2 GLU A 63 21.014 17.729 -28.897 1.00 65.53 H new ATOM 0 HG3 GLU A 63 19.849 16.495 -29.336 1.00 65.53 H new ATOM 991 N ASN A 64 17.901 16.717 -25.942 1.00 45.34 N ATOM 992 CA ASN A 64 17.920 15.765 -24.838 1.00 5.43 C ATOM 993 C ASN A 64 16.505 15.328 -24.472 1.00 3.53 C ATOM 994 O ASN A 64 16.163 14.151 -24.576 1.00 13.22 O ATOM 995 CB ASN A 64 18.608 16.382 -23.618 1.00 35.15 C ATOM 996 CG ASN A 64 19.326 15.346 -22.774 1.00 15.54 C ATOM 997 OD1 ASN A 64 20.437 14.927 -23.098 1.00 13.41 O ATOM 998 ND2 ASN A 64 18.692 14.929 -21.684 1.00 74.41 N ATOM 0 H ASN A 64 18.098 17.681 -25.672 1.00 45.34 H new ATOM 0 HA ASN A 64 18.481 14.886 -25.157 1.00 5.43 H new ATOM 0 HB2 ASN A 64 19.323 17.135 -23.950 1.00 35.15 H new ATOM 0 HB3 ASN A 64 17.866 16.894 -23.006 1.00 35.15 H new ATOM 0 HD21 ASN A 64 19.125 14.234 -21.077 1.00 74.41 H new ATOM 0 HD22 ASN A 64 17.772 15.304 -21.454 1.00 74.41 H new ATOM 1005 N GLU A 65 15.688 16.286 -24.044 1.00 22.24 N ATOM 1006 CA GLU A 65 14.310 15.999 -23.662 1.00 43.12 C ATOM 1007 C GLU A 65 13.541 15.381 -24.826 1.00 60.11 C ATOM 1008 O GLU A 65 12.553 14.675 -24.626 1.00 24.32 O ATOM 1009 CB GLU A 65 13.610 17.277 -23.196 1.00 4.25 C ATOM 1010 CG GLU A 65 13.784 17.559 -21.713 1.00 13.25 C ATOM 1011 CD GLU A 65 15.085 18.273 -21.403 1.00 1.14 C ATOM 1012 OE1 GLU A 65 16.158 17.712 -21.709 1.00 53.21 O ATOM 1013 OE2 GLU A 65 15.030 19.393 -20.853 1.00 42.54 O ATOM 0 H GLU A 65 15.956 17.266 -23.953 1.00 22.24 H new ATOM 0 HA GLU A 65 14.329 15.283 -22.840 1.00 43.12 H new ATOM 0 HB2 GLU A 65 13.997 18.122 -23.766 1.00 4.25 H new ATOM 0 HB3 GLU A 65 12.546 17.201 -23.421 1.00 4.25 H new ATOM 0 HG2 GLU A 65 12.949 18.165 -21.362 1.00 13.25 H new ATOM 0 HG3 GLU A 65 13.750 16.619 -21.162 1.00 13.25 H new ATOM 1020 N ALA A 66 14.001 15.653 -26.043 1.00 23.22 N ATOM 1021 CA ALA A 66 13.358 15.123 -27.239 1.00 24.11 C ATOM 1022 C ALA A 66 13.480 13.604 -27.300 1.00 42.15 C ATOM 1023 O ALA A 66 12.822 12.952 -28.110 1.00 24.32 O ATOM 1024 CB ALA A 66 13.961 15.754 -28.485 1.00 61.45 C ATOM 0 H ALA A 66 14.817 16.237 -26.226 1.00 23.22 H new ATOM 0 HA ALA A 66 12.298 15.374 -27.194 1.00 24.11 H new ATOM 0 HB1 ALA A 66 13.472 15.349 -29.371 1.00 61.45 H new ATOM 0 HB2 ALA A 66 13.817 16.834 -28.452 1.00 61.45 H new ATOM 0 HB3 ALA A 66 15.027 15.532 -28.526 1.00 61.45 H new ATOM 1030 N ASN A 67 14.327 13.048 -26.440 1.00 73.51 N ATOM 1031 CA ASN A 67 14.535 11.605 -26.398 1.00 64.21 C ATOM 1032 C ASN A 67 13.233 10.876 -26.084 1.00 32.55 C ATOM 1033 O ASN A 67 13.046 9.723 -26.473 1.00 1.24 O ATOM 1034 CB ASN A 67 15.596 11.252 -25.353 1.00 14.12 C ATOM 1035 CG ASN A 67 15.018 11.152 -23.954 1.00 72.43 C ATOM 1036 OD1 ASN A 67 15.071 10.096 -23.323 1.00 50.11 O ATOM 1037 ND2 ASN A 67 14.461 12.253 -23.464 1.00 4.13 N ATOM 0 H ASN A 67 14.880 13.574 -25.763 1.00 73.51 H new ATOM 0 HA ASN A 67 14.881 11.284 -27.380 1.00 64.21 H new ATOM 0 HB2 ASN A 67 16.063 10.304 -25.619 1.00 14.12 H new ATOM 0 HB3 ASN A 67 16.381 12.008 -25.366 1.00 14.12 H new ATOM 0 HD21 ASN A 67 14.054 12.246 -22.529 1.00 4.13 H new ATOM 0 HD22 ASN A 67 14.440 13.106 -24.023 1.00 4.13 H new ATOM 1044 N GLU A 68 12.335 11.556 -25.377 1.00 44.33 N ATOM 1045 CA GLU A 68 11.050 10.973 -25.011 1.00 25.53 C ATOM 1046 C GLU A 68 10.030 12.061 -24.691 1.00 52.01 C ATOM 1047 O GLU A 68 9.276 11.956 -23.723 1.00 70.13 O ATOM 1048 CB GLU A 68 11.213 10.041 -23.808 1.00 10.35 C ATOM 1049 CG GLU A 68 10.412 8.755 -23.921 1.00 15.45 C ATOM 1050 CD GLU A 68 10.729 7.979 -25.184 1.00 10.21 C ATOM 1051 OE1 GLU A 68 11.700 7.194 -25.171 1.00 10.34 O ATOM 1052 OE2 GLU A 68 10.005 8.157 -26.186 1.00 44.13 O ATOM 0 H GLU A 68 12.474 12.511 -25.047 1.00 44.33 H new ATOM 0 HA GLU A 68 10.685 10.397 -25.862 1.00 25.53 H new ATOM 0 HB2 GLU A 68 12.268 9.793 -23.692 1.00 10.35 H new ATOM 0 HB3 GLU A 68 10.909 10.570 -22.905 1.00 10.35 H new ATOM 0 HG2 GLU A 68 10.615 8.128 -23.053 1.00 15.45 H new ATOM 0 HG3 GLU A 68 9.348 8.991 -23.902 1.00 15.45 H new ATOM 1059 N PHE A 69 10.012 13.107 -25.511 1.00 63.41 N ATOM 1060 CA PHE A 69 9.086 14.216 -25.316 1.00 20.21 C ATOM 1061 C PHE A 69 7.828 14.029 -26.159 1.00 62.04 C ATOM 1062 O PHE A 69 7.878 13.455 -27.247 1.00 11.23 O ATOM 1063 CB PHE A 69 9.762 15.541 -25.674 1.00 14.21 C ATOM 1064 CG PHE A 69 9.673 16.572 -24.585 1.00 43.32 C ATOM 1065 CD1 PHE A 69 9.862 16.217 -23.259 1.00 71.04 C ATOM 1066 CD2 PHE A 69 9.401 17.897 -24.888 1.00 23.22 C ATOM 1067 CE1 PHE A 69 9.782 17.163 -22.255 1.00 52.31 C ATOM 1068 CE2 PHE A 69 9.320 18.848 -23.888 1.00 24.50 C ATOM 1069 CZ PHE A 69 9.510 18.480 -22.570 1.00 14.20 C ATOM 0 H PHE A 69 10.629 13.209 -26.317 1.00 63.41 H new ATOM 0 HA PHE A 69 8.798 14.236 -24.265 1.00 20.21 H new ATOM 0 HB2 PHE A 69 10.811 15.354 -25.902 1.00 14.21 H new ATOM 0 HB3 PHE A 69 9.305 15.940 -26.580 1.00 14.21 H new ATOM 0 HD1 PHE A 69 10.074 15.188 -23.007 1.00 71.04 H new ATOM 0 HD2 PHE A 69 9.251 18.190 -25.917 1.00 23.22 H new ATOM 0 HE1 PHE A 69 9.932 16.873 -21.226 1.00 52.31 H new ATOM 0 HE2 PHE A 69 9.108 19.877 -24.137 1.00 24.50 H new ATOM 0 HZ PHE A 69 9.446 19.221 -21.787 1.00 14.20 H new ATOM 1079 N GLU A 70 6.702 14.518 -25.649 1.00 23.55 N ATOM 1080 CA GLU A 70 5.431 14.403 -26.354 1.00 44.02 C ATOM 1081 C GLU A 70 4.424 15.423 -25.830 1.00 45.04 C ATOM 1082 O GLU A 70 4.034 16.350 -26.541 1.00 62.23 O ATOM 1083 CB GLU A 70 4.866 12.989 -26.206 1.00 12.14 C ATOM 1084 CG GLU A 70 3.618 12.742 -27.037 1.00 44.04 C ATOM 1085 CD GLU A 70 3.920 12.040 -28.347 1.00 42.43 C ATOM 1086 OE1 GLU A 70 4.801 11.155 -28.358 1.00 35.13 O ATOM 1087 OE2 GLU A 70 3.275 12.377 -29.362 1.00 41.33 O ATOM 0 H GLU A 70 6.644 14.997 -24.751 1.00 23.55 H new ATOM 0 HA GLU A 70 5.611 14.605 -27.410 1.00 44.02 H new ATOM 0 HB2 GLU A 70 5.632 12.269 -26.493 1.00 12.14 H new ATOM 0 HB3 GLU A 70 4.635 12.807 -25.156 1.00 12.14 H new ATOM 0 HG2 GLU A 70 2.915 12.141 -26.460 1.00 44.04 H new ATOM 0 HG3 GLU A 70 3.129 13.694 -27.243 1.00 44.04 H new ATOM 1094 N THR A 71 4.006 15.245 -24.581 1.00 4.41 N ATOM 1095 CA THR A 71 3.044 16.148 -23.961 1.00 61.33 C ATOM 1096 C THR A 71 3.463 16.506 -22.540 1.00 54.31 C ATOM 1097 O THR A 71 4.523 16.092 -22.071 1.00 72.01 O ATOM 1098 CB THR A 71 1.634 15.529 -23.928 1.00 60.44 C ATOM 1099 OG1 THR A 71 1.675 14.251 -23.283 1.00 12.12 O ATOM 1100 CG2 THR A 71 1.078 15.374 -25.336 1.00 20.32 C ATOM 0 H THR A 71 4.319 14.484 -23.979 1.00 4.41 H new ATOM 0 HA THR A 71 3.022 17.053 -24.569 1.00 61.33 H new ATOM 0 HB THR A 71 0.981 16.198 -23.368 1.00 60.44 H new ATOM 0 HG1 THR A 71 1.033 14.238 -22.542 1.00 12.12 H new ATOM 0 HG21 THR A 71 0.082 14.935 -25.287 1.00 20.32 H new ATOM 0 HG22 THR A 71 1.021 16.352 -25.814 1.00 20.32 H new ATOM 0 HG23 THR A 71 1.733 14.724 -25.916 1.00 20.32 H new ATOM 1108 N VAL A 72 2.623 17.279 -21.858 1.00 31.42 N ATOM 1109 CA VAL A 72 2.905 17.692 -20.488 1.00 63.43 C ATOM 1110 C VAL A 72 3.286 16.497 -19.622 1.00 24.35 C ATOM 1111 O VAL A 72 4.213 16.571 -18.816 1.00 2.31 O ATOM 1112 CB VAL A 72 1.695 18.405 -19.856 1.00 43.05 C ATOM 1113 CG1 VAL A 72 2.056 18.956 -18.486 1.00 3.34 C ATOM 1114 CG2 VAL A 72 1.194 19.513 -20.770 1.00 75.35 C ATOM 0 H VAL A 72 1.742 17.632 -22.232 1.00 31.42 H new ATOM 0 HA VAL A 72 3.744 18.387 -20.533 1.00 63.43 H new ATOM 0 HB VAL A 72 0.892 17.679 -19.729 1.00 43.05 H new ATOM 0 HG11 VAL A 72 1.189 19.456 -18.055 1.00 3.34 H new ATOM 0 HG12 VAL A 72 2.364 18.138 -17.835 1.00 3.34 H new ATOM 0 HG13 VAL A 72 2.874 19.669 -18.585 1.00 3.34 H new ATOM 0 HG21 VAL A 72 0.339 20.007 -20.308 1.00 75.35 H new ATOM 0 HG22 VAL A 72 1.990 20.240 -20.930 1.00 75.35 H new ATOM 0 HG23 VAL A 72 0.894 19.087 -21.727 1.00 75.35 H new ATOM 1124 N GLY A 73 2.564 15.393 -19.793 1.00 43.52 N ATOM 1125 CA GLY A 73 2.842 14.197 -19.020 1.00 0.31 C ATOM 1126 C GLY A 73 4.313 13.831 -19.027 1.00 72.43 C ATOM 1127 O GLY A 73 4.848 13.364 -18.022 1.00 3.23 O ATOM 0 H GLY A 73 1.791 15.306 -20.453 1.00 43.52 H new ATOM 0 HA2 GLY A 73 2.513 14.348 -17.992 1.00 0.31 H new ATOM 0 HA3 GLY A 73 2.262 13.366 -19.421 1.00 0.31 H new ATOM 1131 N ASP A 74 4.967 14.040 -20.164 1.00 62.13 N ATOM 1132 CA ASP A 74 6.385 13.728 -20.299 1.00 23.41 C ATOM 1133 C ASP A 74 7.232 14.669 -19.448 1.00 22.54 C ATOM 1134 O ASP A 74 8.152 14.236 -18.753 1.00 32.21 O ATOM 1135 CB ASP A 74 6.813 13.821 -21.764 1.00 42.43 C ATOM 1136 CG ASP A 74 6.165 12.755 -22.626 1.00 3.41 C ATOM 1137 OD1 ASP A 74 5.103 12.235 -22.226 1.00 62.32 O ATOM 1138 OD2 ASP A 74 6.721 12.441 -23.700 1.00 11.24 O ATOM 0 H ASP A 74 4.538 14.424 -21.006 1.00 62.13 H new ATOM 0 HA ASP A 74 6.542 12.708 -19.947 1.00 23.41 H new ATOM 0 HB2 ASP A 74 6.554 14.806 -22.153 1.00 42.43 H new ATOM 0 HB3 ASP A 74 7.897 13.727 -21.829 1.00 42.43 H new ATOM 1143 N VAL A 75 6.916 15.958 -19.507 1.00 43.45 N ATOM 1144 CA VAL A 75 7.648 16.961 -18.742 1.00 72.13 C ATOM 1145 C VAL A 75 7.493 16.729 -17.243 1.00 50.25 C ATOM 1146 O VAL A 75 8.422 16.960 -16.469 1.00 60.24 O ATOM 1147 CB VAL A 75 7.170 18.385 -19.083 1.00 3.25 C ATOM 1148 CG1 VAL A 75 8.121 19.420 -18.501 1.00 43.55 C ATOM 1149 CG2 VAL A 75 7.038 18.557 -20.588 1.00 74.22 C ATOM 0 H VAL A 75 6.158 16.333 -20.077 1.00 43.45 H new ATOM 0 HA VAL A 75 8.699 16.864 -19.015 1.00 72.13 H new ATOM 0 HB VAL A 75 6.187 18.537 -18.636 1.00 3.25 H new ATOM 0 HG11 VAL A 75 7.768 20.420 -18.752 1.00 43.55 H new ATOM 0 HG12 VAL A 75 8.160 19.310 -17.417 1.00 43.55 H new ATOM 0 HG13 VAL A 75 9.118 19.272 -18.916 1.00 43.55 H new ATOM 0 HG21 VAL A 75 6.699 19.569 -20.810 1.00 74.22 H new ATOM 0 HG22 VAL A 75 8.006 18.386 -21.060 1.00 74.22 H new ATOM 0 HG23 VAL A 75 6.314 17.839 -20.974 1.00 74.22 H new ATOM 1159 N VAL A 76 6.312 16.271 -16.840 1.00 23.11 N ATOM 1160 CA VAL A 76 6.035 16.006 -15.433 1.00 62.22 C ATOM 1161 C VAL A 76 6.984 14.951 -14.875 1.00 44.24 C ATOM 1162 O VAL A 76 7.674 15.185 -13.884 1.00 64.22 O ATOM 1163 CB VAL A 76 4.583 15.535 -15.226 1.00 44.01 C ATOM 1164 CG1 VAL A 76 4.269 15.410 -13.743 1.00 52.22 C ATOM 1165 CG2 VAL A 76 3.613 16.488 -15.907 1.00 75.32 C ATOM 0 H VAL A 76 5.532 16.076 -17.468 1.00 23.11 H new ATOM 0 HA VAL A 76 6.185 16.944 -14.899 1.00 62.22 H new ATOM 0 HB VAL A 76 4.469 14.551 -15.681 1.00 44.01 H new ATOM 0 HG11 VAL A 76 3.239 15.076 -13.616 1.00 52.22 H new ATOM 0 HG12 VAL A 76 4.944 14.685 -13.288 1.00 52.22 H new ATOM 0 HG13 VAL A 76 4.398 16.379 -13.261 1.00 52.22 H new ATOM 0 HG21 VAL A 76 2.592 16.141 -15.751 1.00 75.32 H new ATOM 0 HG22 VAL A 76 3.726 17.486 -15.483 1.00 75.32 H new ATOM 0 HG23 VAL A 76 3.826 16.521 -16.976 1.00 75.32 H new ATOM 1175 N ASN A 77 7.014 13.789 -15.520 1.00 51.31 N ATOM 1176 CA ASN A 77 7.879 12.697 -15.088 1.00 50.43 C ATOM 1177 C ASN A 77 9.340 13.002 -15.406 1.00 54.33 C ATOM 1178 O ASN A 77 10.249 12.443 -14.793 1.00 44.53 O ATOM 1179 CB ASN A 77 7.461 11.390 -15.764 1.00 35.13 C ATOM 1180 CG ASN A 77 8.200 11.149 -17.066 1.00 14.51 C ATOM 1181 OD1 ASN A 77 9.371 10.770 -17.067 1.00 34.41 O ATOM 1182 ND2 ASN A 77 7.517 11.371 -18.183 1.00 73.31 N ATOM 0 H ASN A 77 6.450 13.579 -16.343 1.00 51.31 H new ATOM 0 HA ASN A 77 7.775 12.590 -14.008 1.00 50.43 H new ATOM 0 HB2 ASN A 77 7.646 10.558 -15.085 1.00 35.13 H new ATOM 0 HB3 ASN A 77 6.388 11.411 -15.957 1.00 35.13 H new ATOM 0 HD21 ASN A 77 7.962 11.228 -19.090 1.00 73.31 H new ATOM 0 HD22 ASN A 77 6.548 11.685 -18.134 1.00 73.31 H new ATOM 1189 N PHE A 78 9.557 13.893 -16.368 1.00 75.04 N ATOM 1190 CA PHE A 78 10.906 14.273 -16.769 1.00 24.44 C ATOM 1191 C PHE A 78 11.609 15.039 -15.652 1.00 44.11 C ATOM 1192 O PHE A 78 12.645 14.607 -15.144 1.00 75.44 O ATOM 1193 CB PHE A 78 10.864 15.124 -18.039 1.00 41.30 C ATOM 1194 CG PHE A 78 11.109 14.339 -19.296 1.00 33.23 C ATOM 1195 CD1 PHE A 78 10.665 13.031 -19.408 1.00 51.14 C ATOM 1196 CD2 PHE A 78 11.782 14.908 -20.364 1.00 51.44 C ATOM 1197 CE1 PHE A 78 10.890 12.306 -20.563 1.00 75.04 C ATOM 1198 CE2 PHE A 78 12.009 14.188 -21.522 1.00 50.32 C ATOM 1199 CZ PHE A 78 11.561 12.886 -21.622 1.00 62.40 C ATOM 0 H PHE A 78 8.815 14.365 -16.884 1.00 75.04 H new ATOM 0 HA PHE A 78 11.468 13.361 -16.971 1.00 24.44 H new ATOM 0 HB2 PHE A 78 9.891 15.611 -18.108 1.00 41.30 H new ATOM 0 HB3 PHE A 78 11.611 15.914 -17.962 1.00 41.30 H new ATOM 0 HD1 PHE A 78 10.138 12.573 -18.584 1.00 51.14 H new ATOM 0 HD2 PHE A 78 12.134 15.927 -20.291 1.00 51.44 H new ATOM 0 HE1 PHE A 78 10.541 11.287 -20.638 1.00 75.04 H new ATOM 0 HE2 PHE A 78 12.536 14.643 -22.347 1.00 50.32 H new ATOM 0 HZ PHE A 78 11.735 12.322 -22.526 1.00 62.40 H new ATOM 1209 N ILE A 79 11.040 16.179 -15.276 1.00 10.20 N ATOM 1210 CA ILE A 79 11.611 17.006 -14.220 1.00 21.20 C ATOM 1211 C ILE A 79 11.713 16.231 -12.910 1.00 42.43 C ATOM 1212 O ILE A 79 12.557 16.529 -12.064 1.00 72.32 O ATOM 1213 CB ILE A 79 10.775 18.278 -13.987 1.00 44.31 C ATOM 1214 CG1 ILE A 79 10.692 19.102 -15.274 1.00 13.34 C ATOM 1215 CG2 ILE A 79 11.374 19.106 -12.860 1.00 30.05 C ATOM 1216 CD1 ILE A 79 9.942 20.406 -15.109 1.00 31.43 C ATOM 0 H ILE A 79 10.184 16.551 -15.687 1.00 10.20 H new ATOM 0 HA ILE A 79 12.610 17.293 -14.549 1.00 21.20 H new ATOM 0 HB ILE A 79 9.765 17.984 -13.699 1.00 44.31 H new ATOM 0 HG12 ILE A 79 11.702 19.315 -15.625 1.00 13.34 H new ATOM 0 HG13 ILE A 79 10.204 18.507 -16.046 1.00 13.34 H new ATOM 0 HG21 ILE A 79 10.772 20.002 -12.707 1.00 30.05 H new ATOM 0 HG22 ILE A 79 11.387 18.517 -11.943 1.00 30.05 H new ATOM 0 HG23 ILE A 79 12.392 19.393 -13.121 1.00 30.05 H new ATOM 0 HD11 ILE A 79 9.923 20.937 -16.060 1.00 31.43 H new ATOM 0 HD12 ILE A 79 8.921 20.200 -14.787 1.00 31.43 H new ATOM 0 HD13 ILE A 79 10.441 21.021 -14.360 1.00 31.43 H new ATOM 1228 N LYS A 80 10.849 15.235 -12.750 1.00 22.23 N ATOM 1229 CA LYS A 80 10.843 14.414 -11.545 1.00 34.13 C ATOM 1230 C LYS A 80 12.165 13.671 -11.385 1.00 62.25 C ATOM 1231 O LYS A 80 12.808 13.743 -10.338 1.00 13.13 O ATOM 1232 CB LYS A 80 9.686 13.413 -11.591 1.00 14.32 C ATOM 1233 CG LYS A 80 8.456 13.869 -10.824 1.00 43.30 C ATOM 1234 CD LYS A 80 7.232 13.048 -11.193 1.00 25.41 C ATOM 1235 CE LYS A 80 7.434 11.574 -10.875 1.00 61.11 C ATOM 1236 NZ LYS A 80 6.193 10.947 -10.342 1.00 21.31 N ATOM 0 H LYS A 80 10.143 14.977 -13.440 1.00 22.23 H new ATOM 0 HA LYS A 80 10.712 15.074 -10.687 1.00 34.13 H new ATOM 0 HB2 LYS A 80 9.411 13.236 -12.631 1.00 14.32 H new ATOM 0 HB3 LYS A 80 10.025 12.460 -11.185 1.00 14.32 H new ATOM 0 HG2 LYS A 80 8.642 13.785 -9.753 1.00 43.30 H new ATOM 0 HG3 LYS A 80 8.266 14.922 -11.033 1.00 43.30 H new ATOM 0 HD2 LYS A 80 6.364 13.423 -10.651 1.00 25.41 H new ATOM 0 HD3 LYS A 80 7.020 13.166 -12.256 1.00 25.41 H new ATOM 0 HE2 LYS A 80 7.749 11.048 -11.776 1.00 61.11 H new ATOM 0 HE3 LYS A 80 8.237 11.466 -10.146 1.00 61.11 H new ATOM 0 HZ1 LYS A 80 6.412 9.997 -9.980 1.00 21.31 H new ATOM 0 HZ2 LYS A 80 5.812 11.532 -9.571 1.00 21.31 H new ATOM 0 HZ3 LYS A 80 5.487 10.874 -11.102 1.00 21.31 H new ATOM 1250 N LYS A 81 12.568 12.958 -12.432 1.00 34.52 N ATOM 1251 CA LYS A 81 13.815 12.203 -12.410 1.00 1.10 C ATOM 1252 C LYS A 81 15.008 13.117 -12.669 1.00 44.12 C ATOM 1253 O LYS A 81 16.119 12.848 -12.212 1.00 63.32 O ATOM 1254 CB LYS A 81 13.778 11.086 -13.456 1.00 10.24 C ATOM 1255 CG LYS A 81 13.444 11.574 -14.855 1.00 30.23 C ATOM 1256 CD LYS A 81 14.073 10.689 -15.918 1.00 54.34 C ATOM 1257 CE LYS A 81 14.760 11.515 -16.995 1.00 3.02 C ATOM 1258 NZ LYS A 81 15.872 10.766 -17.643 1.00 21.20 N ATOM 0 H LYS A 81 12.048 12.888 -13.307 1.00 34.52 H new ATOM 0 HA LYS A 81 13.926 11.761 -11.420 1.00 1.10 H new ATOM 0 HB2 LYS A 81 14.746 10.586 -13.476 1.00 10.24 H new ATOM 0 HB3 LYS A 81 13.041 10.341 -13.154 1.00 10.24 H new ATOM 0 HG2 LYS A 81 12.362 11.590 -14.987 1.00 30.23 H new ATOM 0 HG3 LYS A 81 13.796 12.598 -14.978 1.00 30.23 H new ATOM 0 HD2 LYS A 81 14.797 10.020 -15.454 1.00 54.34 H new ATOM 0 HD3 LYS A 81 13.305 10.063 -16.372 1.00 54.34 H new ATOM 0 HE2 LYS A 81 14.030 11.807 -17.750 1.00 3.02 H new ATOM 0 HE3 LYS A 81 15.148 12.434 -16.556 1.00 3.02 H new ATOM 0 HZ1 LYS A 81 16.315 11.363 -18.371 1.00 21.20 H new ATOM 0 HZ2 LYS A 81 16.581 10.510 -16.927 1.00 21.20 H new ATOM 0 HZ3 LYS A 81 15.498 9.902 -18.084 1.00 21.20 H new ATOM 1272 N ARG A 82 14.771 14.199 -13.404 1.00 33.13 N ATOM 1273 CA ARG A 82 15.826 15.153 -13.723 1.00 22.40 C ATOM 1274 C ARG A 82 16.247 15.934 -12.481 1.00 61.55 C ATOM 1275 O ARG A 82 17.393 16.369 -12.367 1.00 40.23 O ATOM 1276 CB ARG A 82 15.357 16.119 -14.812 1.00 2.31 C ATOM 1277 CG ARG A 82 15.783 15.712 -16.213 1.00 23.31 C ATOM 1278 CD ARG A 82 14.682 15.973 -17.228 1.00 73.52 C ATOM 1279 NE ARG A 82 14.150 17.328 -17.122 1.00 54.54 N ATOM 1280 CZ ARG A 82 14.769 18.401 -17.603 1.00 62.42 C ATOM 1281 NH1 ARG A 82 15.936 18.275 -18.220 1.00 1.10 N ATOM 1282 NH2 ARG A 82 14.221 19.602 -17.468 1.00 22.51 N ATOM 0 H ARG A 82 13.857 14.437 -13.790 1.00 33.13 H new ATOM 0 HA ARG A 82 16.688 14.595 -14.089 1.00 22.40 H new ATOM 0 HB2 ARG A 82 14.270 16.191 -14.779 1.00 2.31 H new ATOM 0 HB3 ARG A 82 15.749 17.113 -14.597 1.00 2.31 H new ATOM 0 HG2 ARG A 82 16.679 16.264 -16.497 1.00 23.31 H new ATOM 0 HG3 ARG A 82 16.044 14.654 -16.222 1.00 23.31 H new ATOM 0 HD2 ARG A 82 15.071 15.814 -18.234 1.00 73.52 H new ATOM 0 HD3 ARG A 82 13.876 15.254 -17.081 1.00 73.52 H new ATOM 0 HE ARG A 82 13.254 17.459 -16.653 1.00 54.54 H new ATOM 0 HH11 ARG A 82 16.360 17.353 -18.326 1.00 1.10 H new ATOM 0 HH12 ARG A 82 16.410 19.100 -18.589 1.00 1.10 H new ATOM 0 HH21 ARG A 82 13.323 19.703 -16.994 1.00 22.51 H new ATOM 0 HH22 ARG A 82 14.698 20.425 -17.838 1.00 22.51 H new ATOM 1296 N LYS A 83 15.312 16.107 -11.553 1.00 45.53 N ATOM 1297 CA LYS A 83 15.585 16.835 -10.319 1.00 71.13 C ATOM 1298 C LYS A 83 15.865 15.872 -9.170 1.00 63.54 C ATOM 1299 O LYS A 83 16.661 16.167 -8.280 1.00 11.12 O ATOM 1300 CB LYS A 83 14.402 17.739 -9.964 1.00 60.50 C ATOM 1301 CG LYS A 83 14.704 18.726 -8.850 1.00 31.43 C ATOM 1302 CD LYS A 83 15.292 20.017 -9.393 1.00 15.20 C ATOM 1303 CE LYS A 83 16.810 19.956 -9.456 1.00 70.51 C ATOM 1304 NZ LYS A 83 17.427 21.300 -9.285 1.00 24.23 N ATOM 0 H LYS A 83 14.359 15.753 -11.632 1.00 45.53 H new ATOM 0 HA LYS A 83 16.470 17.451 -10.478 1.00 71.13 H new ATOM 0 HB2 LYS A 83 14.097 18.290 -10.854 1.00 60.50 H new ATOM 0 HB3 LYS A 83 13.557 17.118 -9.668 1.00 60.50 H new ATOM 0 HG2 LYS A 83 13.789 18.945 -8.299 1.00 31.43 H new ATOM 0 HG3 LYS A 83 15.402 18.276 -8.143 1.00 31.43 H new ATOM 0 HD2 LYS A 83 14.893 20.209 -10.389 1.00 15.20 H new ATOM 0 HD3 LYS A 83 14.986 20.851 -8.761 1.00 15.20 H new ATOM 0 HE2 LYS A 83 17.179 19.286 -8.680 1.00 70.51 H new ATOM 0 HE3 LYS A 83 17.117 19.535 -10.413 1.00 70.51 H new ATOM 0 HZ1 LYS A 83 18.462 21.215 -9.334 1.00 24.23 H new ATOM 0 HZ2 LYS A 83 17.095 21.933 -10.040 1.00 24.23 H new ATOM 0 HZ3 LYS A 83 17.155 21.692 -8.361 1.00 24.23 H new ATOM 1318 N GLY A 84 15.207 14.717 -9.198 1.00 70.41 N ATOM 1319 CA GLY A 84 15.401 13.727 -8.154 1.00 55.23 C ATOM 1320 C GLY A 84 16.368 12.635 -8.563 1.00 63.53 C ATOM 1321 O GLY A 84 17.559 12.704 -8.258 1.00 14.14 O ATOM 0 H GLY A 84 14.543 14.449 -9.925 1.00 70.41 H new ATOM 0 HA2 GLY A 84 15.773 14.219 -7.255 1.00 55.23 H new ATOM 0 HA3 GLY A 84 14.440 13.280 -7.898 1.00 55.23 H new TER 1325 GLY A 84