USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 580 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 17 SER OG : rot 136:sc= 0.158 USER MOD Set 1.2: A 55 LYS NZ :NH3+ 172:sc= 0.179 (180deg=0) USER MOD Single : A 1 MET CE :methyl -120:sc= -1.25 (180deg=-5.74!) USER MOD Single : A 1 MET N :NH3+ 150:sc= 1.23 (180deg=1.17) USER MOD Single : A 2 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 4 THR OG1 : rot 87:sc= 0.322 USER MOD Single : A 6 ASN :FLIP amide:sc= -0.0398 F(o=-1.8!,f=-0.04) USER MOD Single : A 8 LYS NZ :NH3+ -167:sc= 0.765 (180deg=0.639) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -2.14 K(o=-2.1,f=-6.6!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0.4) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 95:sc= 0.172 USER MOD Single : A 40 ASN :FLIP amide:sc= -1.24 F(o=-2.1,f=-1.2) USER MOD Single : A 52 THR OG1 : rot 75:sc= 0.59 USER MOD Single : A 53 THR OG1 : rot 37:sc= 0.475 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -167:sc= 1.24 (180deg=0.921) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 HIS : no HD1:sc= -0.636 X(o=-0.64,f=-0.55) USER MOD Single : A 75 HIS : no HE2:sc= -1.05 K(o=-1,f=-2.5!) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 HIS : no HE2:sc= -0.0277 K(o=-0.028,f=-1.7) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.705 -11.951 -0.851 1.00 70.23 N ATOM 2 CA MET A 1 -2.575 -11.343 -0.094 1.00 33.41 C ATOM 3 C MET A 1 -2.916 -9.930 0.409 1.00 64.32 C ATOM 4 O MET A 1 -3.680 -9.197 -0.222 1.00 72.44 O ATOM 5 CB MET A 1 -1.307 -11.292 -0.960 1.00 21.35 C ATOM 6 CG MET A 1 -1.437 -10.452 -2.225 1.00 54.31 C ATOM 7 SD MET A 1 0.124 -10.339 -3.122 1.00 41.41 S ATOM 8 CE MET A 1 -0.366 -9.397 -4.562 1.00 33.22 C ATOM 0 H1 MET A 1 -3.331 -12.603 -1.569 1.00 70.23 H new ATOM 0 H2 MET A 1 -4.321 -12.474 -0.196 1.00 70.23 H new ATOM 0 H3 MET A 1 -4.254 -11.201 -1.317 1.00 70.23 H new ATOM 0 HA MET A 1 -2.395 -11.977 0.774 1.00 33.41 H new ATOM 0 HB2 MET A 1 -0.488 -10.896 -0.359 1.00 21.35 H new ATOM 0 HB3 MET A 1 -1.034 -12.309 -1.241 1.00 21.35 H new ATOM 0 HG2 MET A 1 -2.197 -10.888 -2.873 1.00 54.31 H new ATOM 0 HG3 MET A 1 -1.778 -9.451 -1.962 1.00 54.31 H new ATOM 0 HE1 MET A 1 -0.176 -9.982 -5.462 1.00 33.22 H new ATOM 0 HE2 MET A 1 -1.429 -9.163 -4.499 1.00 33.22 H new ATOM 0 HE3 MET A 1 0.208 -8.471 -4.604 1.00 33.22 H new ATOM 20 N ASN A 2 -2.333 -9.561 1.550 1.00 61.35 N ATOM 21 CA ASN A 2 -2.543 -8.234 2.148 1.00 51.11 C ATOM 22 C ASN A 2 -1.492 -7.225 1.653 1.00 74.45 C ATOM 23 O ASN A 2 -0.297 -7.397 1.893 1.00 61.40 O ATOM 24 CB ASN A 2 -2.469 -8.330 3.677 1.00 64.04 C ATOM 25 CG ASN A 2 -3.428 -9.355 4.248 1.00 43.14 C ATOM 26 OD1 ASN A 2 -4.496 -9.604 3.695 1.00 14.34 O ATOM 27 ND2 ASN A 2 -3.063 -9.952 5.361 1.00 55.01 N ATOM 0 H ASN A 2 -1.707 -10.164 2.084 1.00 61.35 H new ATOM 0 HA ASN A 2 -3.530 -7.885 1.845 1.00 51.11 H new ATOM 0 HB2 ASN A 2 -1.452 -8.587 3.972 1.00 64.04 H new ATOM 0 HB3 ASN A 2 -2.689 -7.354 4.109 1.00 64.04 H new ATOM 0 HD21 ASN A 2 -3.674 -10.646 5.792 1.00 55.01 H new ATOM 0 HD22 ASN A 2 -2.169 -9.721 5.794 1.00 55.01 H new ATOM 34 N LEU A 3 -1.936 -6.182 0.959 1.00 2.34 N ATOM 35 CA LEU A 3 -1.032 -5.112 0.507 1.00 40.14 C ATOM 36 C LEU A 3 -1.416 -3.777 1.163 1.00 35.22 C ATOM 37 O LEU A 3 -2.374 -3.711 1.932 1.00 62.00 O ATOM 38 CB LEU A 3 -1.079 -4.971 -1.023 1.00 24.33 C ATOM 39 CG LEU A 3 -0.979 -6.283 -1.824 1.00 14.33 C ATOM 40 CD1 LEU A 3 -0.996 -5.999 -3.324 1.00 22.31 C ATOM 41 CD2 LEU A 3 0.269 -7.073 -1.437 1.00 1.45 C ATOM 0 H LEU A 3 -2.912 -6.048 0.694 1.00 2.34 H new ATOM 0 HA LEU A 3 -0.017 -5.377 0.803 1.00 40.14 H new ATOM 0 HB2 LEU A 3 -2.010 -4.473 -1.294 1.00 24.33 H new ATOM 0 HB3 LEU A 3 -0.265 -4.316 -1.333 1.00 24.33 H new ATOM 0 HG LEU A 3 -1.848 -6.893 -1.579 1.00 14.33 H new ATOM 0 HD11 LEU A 3 -0.924 -6.938 -3.873 1.00 22.31 H new ATOM 0 HD12 LEU A 3 -1.925 -5.494 -3.588 1.00 22.31 H new ATOM 0 HD13 LEU A 3 -0.150 -5.362 -3.583 1.00 22.31 H new ATOM 0 HD21 LEU A 3 0.312 -7.994 -2.019 1.00 1.45 H new ATOM 0 HD22 LEU A 3 1.157 -6.474 -1.640 1.00 1.45 H new ATOM 0 HD23 LEU A 3 0.231 -7.316 -0.375 1.00 1.45 H new ATOM 53 N THR A 4 -0.673 -2.719 0.861 1.00 53.01 N ATOM 54 CA THR A 4 -0.969 -1.383 1.402 1.00 44.44 C ATOM 55 C THR A 4 -0.601 -0.288 0.394 1.00 64.51 C ATOM 56 O THR A 4 0.460 -0.333 -0.220 1.00 33.23 O ATOM 57 CB THR A 4 -0.207 -1.122 2.727 1.00 33.20 C ATOM 58 OG1 THR A 4 -0.431 -2.197 3.652 1.00 62.33 O ATOM 59 CG2 THR A 4 -0.641 0.193 3.370 1.00 2.34 C ATOM 0 H THR A 4 0.140 -2.752 0.246 1.00 53.01 H new ATOM 0 HA THR A 4 -2.041 -1.354 1.598 1.00 44.44 H new ATOM 0 HB THR A 4 0.854 -1.058 2.487 1.00 33.20 H new ATOM 0 HG1 THR A 4 0.224 -2.908 3.492 1.00 62.33 H new ATOM 0 HG21 THR A 4 -0.088 0.345 4.297 1.00 2.34 H new ATOM 0 HG22 THR A 4 -0.437 1.017 2.686 1.00 2.34 H new ATOM 0 HG23 THR A 4 -1.709 0.157 3.587 1.00 2.34 H new ATOM 67 N VAL A 5 -1.489 0.685 0.207 1.00 25.50 N ATOM 68 CA VAL A 5 -1.218 1.817 -0.688 1.00 61.32 C ATOM 69 C VAL A 5 -1.432 3.151 0.041 1.00 52.33 C ATOM 70 O VAL A 5 -2.553 3.477 0.436 1.00 44.11 O ATOM 71 CB VAL A 5 -2.120 1.776 -1.952 1.00 70.41 C ATOM 72 CG1 VAL A 5 -1.799 2.940 -2.895 1.00 44.11 C ATOM 73 CG2 VAL A 5 -1.980 0.432 -2.675 1.00 31.21 C ATOM 0 H VAL A 5 -2.402 0.716 0.660 1.00 25.50 H new ATOM 0 HA VAL A 5 -0.177 1.735 -1.000 1.00 61.32 H new ATOM 0 HB VAL A 5 -3.156 1.883 -1.630 1.00 70.41 H new ATOM 0 HG11 VAL A 5 -2.445 2.887 -3.771 1.00 44.11 H new ATOM 0 HG12 VAL A 5 -1.967 3.884 -2.377 1.00 44.11 H new ATOM 0 HG13 VAL A 5 -0.757 2.878 -3.208 1.00 44.11 H new ATOM 0 HG21 VAL A 5 -2.620 0.425 -3.557 1.00 31.21 H new ATOM 0 HG22 VAL A 5 -0.943 0.288 -2.978 1.00 31.21 H new ATOM 0 HG23 VAL A 5 -2.277 -0.374 -2.005 1.00 31.21 H new ATOM 83 N ASN A 6 -0.346 3.904 0.246 1.00 75.11 N ATOM 84 CA ASN A 6 -0.415 5.214 0.915 1.00 43.24 C ATOM 85 C ASN A 6 -0.897 5.072 2.365 1.00 33.43 C ATOM 86 O ASN A 6 -1.656 5.905 2.864 1.00 10.11 O ATOM 87 CB ASN A 6 -1.339 6.182 0.151 1.00 15.24 C ATOM 88 CG ASN A 6 -0.745 6.686 -1.156 1.00 21.42 C ATOM 89 OD1 ASN A 6 0.036 5.864 -1.830 1.00 11.34 O flip ATOM 90 ND2 ASN A 6 -0.989 7.818 -1.556 1.00 32.03 N flip ATOM 0 H ASN A 6 0.594 3.631 -0.041 1.00 75.11 H new ATOM 0 HA ASN A 6 0.594 5.626 0.921 1.00 43.24 H new ATOM 0 HB2 ASN A 6 -2.284 5.680 -0.058 1.00 15.24 H new ATOM 0 HB3 ASN A 6 -1.566 7.035 0.790 1.00 15.24 H new ATOM 0 HD21 ASN A 6 -1.597 8.431 -1.013 1.00 32.03 H new ATOM 0 HD22 ASN A 6 -0.584 8.148 -2.432 1.00 32.03 H new ATOM 97 N GLY A 7 -0.453 4.016 3.036 1.00 52.21 N ATOM 98 CA GLY A 7 -0.857 3.783 4.420 1.00 4.21 C ATOM 99 C GLY A 7 -2.252 3.174 4.561 1.00 2.22 C ATOM 100 O GLY A 7 -2.696 2.886 5.674 1.00 44.23 O ATOM 0 H GLY A 7 0.179 3.314 2.651 1.00 52.21 H new ATOM 0 HA2 GLY A 7 -0.132 3.121 4.894 1.00 4.21 H new ATOM 0 HA3 GLY A 7 -0.827 4.728 4.962 1.00 4.21 H new ATOM 104 N LYS A 8 -2.948 2.986 3.440 1.00 21.11 N ATOM 105 CA LYS A 8 -4.268 2.342 3.439 1.00 15.02 C ATOM 106 C LYS A 8 -4.163 0.862 3.020 1.00 72.02 C ATOM 107 O LYS A 8 -3.797 0.561 1.881 1.00 33.31 O ATOM 108 CB LYS A 8 -5.247 3.088 2.509 1.00 43.11 C ATOM 109 CG LYS A 8 -5.915 4.311 3.148 1.00 21.44 C ATOM 110 CD LYS A 8 -4.976 5.507 3.297 1.00 73.32 C ATOM 111 CE LYS A 8 -4.623 6.127 1.949 1.00 42.14 C ATOM 112 NZ LYS A 8 -3.918 7.425 2.103 1.00 22.12 N ATOM 0 H LYS A 8 -2.621 3.270 2.517 1.00 21.11 H new ATOM 0 HA LYS A 8 -4.655 2.386 4.457 1.00 15.02 H new ATOM 0 HB2 LYS A 8 -4.710 3.407 1.616 1.00 43.11 H new ATOM 0 HB3 LYS A 8 -6.022 2.394 2.184 1.00 43.11 H new ATOM 0 HG2 LYS A 8 -6.772 4.605 2.543 1.00 21.44 H new ATOM 0 HG3 LYS A 8 -6.298 4.035 4.130 1.00 21.44 H new ATOM 0 HD2 LYS A 8 -5.445 6.260 3.931 1.00 73.32 H new ATOM 0 HD3 LYS A 8 -4.063 5.190 3.801 1.00 73.32 H new ATOM 0 HE2 LYS A 8 -3.994 5.437 1.386 1.00 42.14 H new ATOM 0 HE3 LYS A 8 -5.533 6.275 1.368 1.00 42.14 H new ATOM 0 HZ1 LYS A 8 -3.891 7.916 1.187 1.00 22.12 H new ATOM 0 HZ2 LYS A 8 -4.422 8.013 2.797 1.00 22.12 H new ATOM 0 HZ3 LYS A 8 -2.947 7.255 2.433 1.00 22.12 H new ATOM 126 N PRO A 9 -4.462 -0.079 3.943 1.00 60.15 N ATOM 127 CA PRO A 9 -4.415 -1.528 3.655 1.00 51.35 C ATOM 128 C PRO A 9 -5.379 -1.947 2.534 1.00 71.42 C ATOM 129 O PRO A 9 -6.424 -1.323 2.327 1.00 4.43 O ATOM 130 CB PRO A 9 -4.825 -2.180 4.991 1.00 63.51 C ATOM 131 CG PRO A 9 -4.584 -1.130 6.021 1.00 0.52 C ATOM 132 CD PRO A 9 -4.858 0.183 5.338 1.00 14.11 C ATOM 0 HA PRO A 9 -3.430 -1.831 3.302 1.00 51.35 H new ATOM 0 HB2 PRO A 9 -5.871 -2.486 4.976 1.00 63.51 H new ATOM 0 HB3 PRO A 9 -4.234 -3.074 5.192 1.00 63.51 H new ATOM 0 HG2 PRO A 9 -5.239 -1.268 6.881 1.00 0.52 H new ATOM 0 HG3 PRO A 9 -3.560 -1.172 6.391 1.00 0.52 H new ATOM 0 HD2 PRO A 9 -5.908 0.465 5.413 1.00 14.11 H new ATOM 0 HD3 PRO A 9 -4.278 0.995 5.776 1.00 14.11 H new ATOM 140 N SER A 10 -5.024 -3.009 1.812 1.00 22.24 N ATOM 141 CA SER A 10 -5.863 -3.520 0.721 1.00 3.50 C ATOM 142 C SER A 10 -5.669 -5.030 0.529 1.00 21.14 C ATOM 143 O SER A 10 -4.617 -5.488 0.077 1.00 54.44 O ATOM 144 CB SER A 10 -5.558 -2.787 -0.592 1.00 21.23 C ATOM 145 OG SER A 10 -6.490 -3.142 -1.609 1.00 33.33 O ATOM 0 H SER A 10 -4.162 -3.534 1.960 1.00 22.24 H new ATOM 0 HA SER A 10 -6.902 -3.337 0.996 1.00 3.50 H new ATOM 0 HB2 SER A 10 -5.590 -1.710 -0.426 1.00 21.23 H new ATOM 0 HB3 SER A 10 -4.547 -3.029 -0.921 1.00 21.23 H new ATOM 0 HG SER A 10 -6.273 -2.659 -2.434 1.00 33.33 H new ATOM 151 N THR A 11 -6.692 -5.796 0.886 1.00 33.20 N ATOM 152 CA THR A 11 -6.664 -7.260 0.752 1.00 54.45 C ATOM 153 C THR A 11 -7.085 -7.698 -0.659 1.00 14.31 C ATOM 154 O THR A 11 -8.261 -7.615 -1.012 1.00 65.24 O ATOM 155 CB THR A 11 -7.603 -7.927 1.790 1.00 22.13 C ATOM 156 OG1 THR A 11 -7.277 -7.478 3.117 1.00 61.40 O ATOM 157 CG2 THR A 11 -7.501 -9.446 1.735 1.00 13.43 C ATOM 0 H THR A 11 -7.561 -5.431 1.274 1.00 33.20 H new ATOM 0 HA THR A 11 -5.638 -7.580 0.932 1.00 54.45 H new ATOM 0 HB THR A 11 -8.625 -7.638 1.543 1.00 22.13 H new ATOM 0 HG1 THR A 11 -7.878 -7.905 3.763 1.00 61.40 H new ATOM 0 HG21 THR A 11 -8.172 -9.883 2.475 1.00 13.43 H new ATOM 0 HG22 THR A 11 -7.782 -9.794 0.741 1.00 13.43 H new ATOM 0 HG23 THR A 11 -6.476 -9.750 1.950 1.00 13.43 H new ATOM 165 N VAL A 12 -6.125 -8.159 -1.464 1.00 71.52 N ATOM 166 CA VAL A 12 -6.404 -8.596 -2.843 1.00 13.22 C ATOM 167 C VAL A 12 -5.953 -10.045 -3.093 1.00 54.40 C ATOM 168 O VAL A 12 -4.844 -10.437 -2.728 1.00 65.03 O ATOM 169 CB VAL A 12 -5.720 -7.670 -3.886 1.00 12.50 C ATOM 170 CG1 VAL A 12 -6.282 -6.255 -3.808 1.00 41.14 C ATOM 171 CG2 VAL A 12 -4.202 -7.654 -3.699 1.00 15.02 C ATOM 0 H VAL A 12 -5.146 -8.241 -1.189 1.00 71.52 H new ATOM 0 HA VAL A 12 -7.486 -8.538 -2.963 1.00 13.22 H new ATOM 0 HB VAL A 12 -5.935 -8.071 -4.876 1.00 12.50 H new ATOM 0 HG11 VAL A 12 -5.787 -5.626 -4.548 1.00 41.14 H new ATOM 0 HG12 VAL A 12 -7.353 -6.277 -4.009 1.00 41.14 H new ATOM 0 HG13 VAL A 12 -6.108 -5.849 -2.812 1.00 41.14 H new ATOM 0 HG21 VAL A 12 -3.751 -6.998 -4.443 1.00 15.02 H new ATOM 0 HG22 VAL A 12 -3.962 -7.289 -2.700 1.00 15.02 H new ATOM 0 HG23 VAL A 12 -3.810 -8.664 -3.820 1.00 15.02 H new ATOM 181 N ASP A 13 -6.817 -10.834 -3.730 1.00 4.13 N ATOM 182 CA ASP A 13 -6.511 -12.235 -4.040 1.00 41.02 C ATOM 183 C ASP A 13 -6.505 -12.479 -5.561 1.00 61.14 C ATOM 184 O ASP A 13 -7.229 -11.820 -6.311 1.00 52.34 O ATOM 185 CB ASP A 13 -7.530 -13.158 -3.355 1.00 45.13 C ATOM 186 CG ASP A 13 -7.226 -14.629 -3.582 1.00 70.44 C ATOM 187 OD1 ASP A 13 -6.089 -15.055 -3.300 1.00 24.32 O ATOM 188 OD2 ASP A 13 -8.117 -15.368 -4.047 1.00 63.20 O ATOM 0 H ASP A 13 -7.738 -10.528 -4.044 1.00 4.13 H new ATOM 0 HA ASP A 13 -5.514 -12.460 -3.661 1.00 41.02 H new ATOM 0 HB2 ASP A 13 -7.539 -12.953 -2.284 1.00 45.13 H new ATOM 0 HB3 ASP A 13 -8.528 -12.934 -3.731 1.00 45.13 H new ATOM 193 N GLY A 14 -5.688 -13.435 -6.003 1.00 64.32 N ATOM 194 CA GLY A 14 -5.565 -13.741 -7.431 1.00 62.24 C ATOM 195 C GLY A 14 -4.208 -13.348 -8.014 1.00 52.14 C ATOM 196 O GLY A 14 -4.108 -12.985 -9.186 1.00 63.30 O ATOM 0 H GLY A 14 -5.103 -14.010 -5.397 1.00 64.32 H new ATOM 0 HA2 GLY A 14 -5.723 -14.809 -7.583 1.00 62.24 H new ATOM 0 HA3 GLY A 14 -6.352 -13.221 -7.977 1.00 62.24 H new ATOM 200 N ALA A 15 -3.159 -13.431 -7.197 1.00 52.14 N ATOM 201 CA ALA A 15 -1.802 -13.072 -7.629 1.00 14.31 C ATOM 202 C ALA A 15 -0.758 -13.995 -6.987 1.00 70.31 C ATOM 203 O ALA A 15 -0.678 -14.098 -5.761 1.00 24.25 O ATOM 204 CB ALA A 15 -1.511 -11.614 -7.287 1.00 42.30 C ATOM 0 H ALA A 15 -3.220 -13.744 -6.228 1.00 52.14 H new ATOM 0 HA ALA A 15 -1.741 -13.199 -8.710 1.00 14.31 H new ATOM 0 HB1 ALA A 15 -0.502 -11.358 -7.612 1.00 42.30 H new ATOM 0 HB2 ALA A 15 -2.230 -10.971 -7.795 1.00 42.30 H new ATOM 0 HB3 ALA A 15 -1.593 -11.470 -6.210 1.00 42.30 H new ATOM 210 N GLU A 16 0.048 -14.662 -7.811 1.00 11.31 N ATOM 211 CA GLU A 16 1.025 -15.643 -7.314 1.00 32.10 C ATOM 212 C GLU A 16 2.469 -15.106 -7.378 1.00 50.22 C ATOM 213 O GLU A 16 3.196 -15.370 -8.337 1.00 72.22 O ATOM 214 CB GLU A 16 0.904 -16.949 -8.118 1.00 24.42 C ATOM 215 CG GLU A 16 1.774 -18.090 -7.596 1.00 0.11 C ATOM 216 CD GLU A 16 1.612 -19.368 -8.405 1.00 3.22 C ATOM 217 OE1 GLU A 16 0.477 -19.879 -8.493 1.00 1.24 O ATOM 218 OE2 GLU A 16 2.614 -19.865 -8.958 1.00 32.53 O ATOM 0 H GLU A 16 0.048 -14.545 -8.824 1.00 11.31 H new ATOM 0 HA GLU A 16 0.800 -15.836 -6.265 1.00 32.10 H new ATOM 0 HB2 GLU A 16 -0.138 -17.270 -8.113 1.00 24.42 H new ATOM 0 HB3 GLU A 16 1.171 -16.749 -9.156 1.00 24.42 H new ATOM 0 HG2 GLU A 16 2.820 -17.783 -7.615 1.00 0.11 H new ATOM 0 HG3 GLU A 16 1.519 -18.289 -6.555 1.00 0.11 H new ATOM 225 N SER A 17 2.858 -14.338 -6.351 1.00 25.00 N ATOM 226 CA SER A 17 4.234 -13.809 -6.211 1.00 74.24 C ATOM 227 C SER A 17 4.750 -13.129 -7.493 1.00 21.15 C ATOM 228 O SER A 17 5.271 -13.788 -8.394 1.00 41.44 O ATOM 229 CB SER A 17 5.204 -14.925 -5.789 1.00 34.13 C ATOM 230 OG SER A 17 4.856 -15.456 -4.517 1.00 24.41 O ATOM 0 H SER A 17 2.234 -14.063 -5.592 1.00 25.00 H new ATOM 0 HA SER A 17 4.190 -13.045 -5.434 1.00 74.24 H new ATOM 0 HB2 SER A 17 5.193 -15.721 -6.534 1.00 34.13 H new ATOM 0 HB3 SER A 17 6.221 -14.533 -5.757 1.00 34.13 H new ATOM 0 HG SER A 17 4.911 -16.434 -4.545 1.00 24.41 H new ATOM 236 N LEU A 18 4.622 -11.807 -7.560 1.00 12.11 N ATOM 237 CA LEU A 18 5.038 -11.048 -8.748 1.00 60.23 C ATOM 238 C LEU A 18 5.830 -9.780 -8.380 1.00 11.32 C ATOM 239 O LEU A 18 5.686 -9.243 -7.286 1.00 15.11 O ATOM 240 CB LEU A 18 3.810 -10.705 -9.619 1.00 2.43 C ATOM 241 CG LEU A 18 2.540 -10.239 -8.868 1.00 60.30 C ATOM 242 CD1 LEU A 18 2.746 -8.889 -8.186 1.00 44.45 C ATOM 243 CD2 LEU A 18 1.347 -10.177 -9.821 1.00 10.11 C ATOM 0 H LEU A 18 4.235 -11.235 -6.810 1.00 12.11 H new ATOM 0 HA LEU A 18 5.712 -11.681 -9.326 1.00 60.23 H new ATOM 0 HB2 LEU A 18 4.098 -9.923 -10.321 1.00 2.43 H new ATOM 0 HB3 LEU A 18 3.554 -11.585 -10.209 1.00 2.43 H new ATOM 0 HG LEU A 18 2.334 -10.973 -8.089 1.00 60.30 H new ATOM 0 HD11 LEU A 18 1.831 -8.598 -7.670 1.00 44.45 H new ATOM 0 HD12 LEU A 18 3.560 -8.966 -7.465 1.00 44.45 H new ATOM 0 HD13 LEU A 18 2.995 -8.137 -8.935 1.00 44.45 H new ATOM 0 HD21 LEU A 18 0.463 -9.847 -9.276 1.00 10.11 H new ATOM 0 HD22 LEU A 18 1.560 -9.473 -10.626 1.00 10.11 H new ATOM 0 HD23 LEU A 18 1.166 -11.166 -10.242 1.00 10.11 H new ATOM 255 N ASN A 19 6.676 -9.319 -9.298 1.00 2.11 N ATOM 256 CA ASN A 19 7.471 -8.102 -9.081 1.00 2.12 C ATOM 257 C ASN A 19 6.602 -6.831 -9.133 1.00 11.34 C ATOM 258 O ASN A 19 5.446 -6.868 -9.562 1.00 15.33 O ATOM 259 CB ASN A 19 8.598 -8.009 -10.116 1.00 72.13 C ATOM 260 CG ASN A 19 8.084 -8.101 -11.538 1.00 43.43 C ATOM 261 OD1 ASN A 19 7.671 -7.109 -12.129 1.00 51.52 O ATOM 262 ND2 ASN A 19 8.114 -9.288 -12.104 1.00 31.21 N ATOM 0 H ASN A 19 6.832 -9.766 -10.201 1.00 2.11 H new ATOM 0 HA ASN A 19 7.902 -8.169 -8.082 1.00 2.12 H new ATOM 0 HB2 ASN A 19 9.131 -7.067 -9.985 1.00 72.13 H new ATOM 0 HB3 ASN A 19 9.317 -8.809 -9.940 1.00 72.13 H new ATOM 0 HD21 ASN A 19 7.787 -9.404 -13.063 1.00 31.21 H new ATOM 0 HD22 ASN A 19 8.464 -10.092 -11.584 1.00 31.21 H new ATOM 269 N VAL A 20 7.175 -5.705 -8.702 1.00 13.24 N ATOM 270 CA VAL A 20 6.456 -4.420 -8.678 1.00 44.33 C ATOM 271 C VAL A 20 5.883 -4.055 -10.061 1.00 62.12 C ATOM 272 O VAL A 20 4.743 -3.593 -10.171 1.00 24.23 O ATOM 273 CB VAL A 20 7.376 -3.270 -8.186 1.00 62.10 C ATOM 274 CG1 VAL A 20 6.627 -1.937 -8.156 1.00 24.35 C ATOM 275 CG2 VAL A 20 7.962 -3.594 -6.812 1.00 13.22 C ATOM 0 H VAL A 20 8.136 -5.653 -8.364 1.00 13.24 H new ATOM 0 HA VAL A 20 5.628 -4.543 -7.980 1.00 44.33 H new ATOM 0 HB VAL A 20 8.199 -3.175 -8.894 1.00 62.10 H new ATOM 0 HG11 VAL A 20 7.297 -1.151 -7.807 1.00 24.35 H new ATOM 0 HG12 VAL A 20 6.274 -1.695 -9.159 1.00 24.35 H new ATOM 0 HG13 VAL A 20 5.775 -2.014 -7.480 1.00 24.35 H new ATOM 0 HG21 VAL A 20 8.603 -2.774 -6.487 1.00 13.22 H new ATOM 0 HG22 VAL A 20 7.153 -3.728 -6.094 1.00 13.22 H new ATOM 0 HG23 VAL A 20 8.548 -4.511 -6.874 1.00 13.22 H new ATOM 285 N THR A 21 6.672 -4.276 -11.112 1.00 73.10 N ATOM 286 CA THR A 21 6.240 -3.979 -12.485 1.00 2.21 C ATOM 287 C THR A 21 4.982 -4.779 -12.867 1.00 74.00 C ATOM 288 O THR A 21 4.042 -4.233 -13.446 1.00 34.04 O ATOM 289 CB THR A 21 7.367 -4.264 -13.509 1.00 44.54 C ATOM 290 OG1 THR A 21 8.516 -3.458 -13.210 1.00 13.25 O ATOM 291 CG2 THR A 21 6.909 -3.981 -14.935 1.00 63.35 C ATOM 0 H THR A 21 7.615 -4.660 -11.043 1.00 73.10 H new ATOM 0 HA THR A 21 6.001 -2.916 -12.514 1.00 2.21 H new ATOM 0 HB THR A 21 7.625 -5.320 -13.434 1.00 44.54 H new ATOM 0 HG1 THR A 21 9.225 -3.645 -13.860 1.00 13.25 H new ATOM 0 HG21 THR A 21 7.724 -4.191 -15.627 1.00 63.35 H new ATOM 0 HG22 THR A 21 6.056 -4.615 -15.176 1.00 63.35 H new ATOM 0 HG23 THR A 21 6.619 -2.934 -15.023 1.00 63.35 H new ATOM 299 N GLU A 22 4.959 -6.068 -12.534 1.00 13.13 N ATOM 300 CA GLU A 22 3.779 -6.904 -12.794 1.00 22.31 C ATOM 301 C GLU A 22 2.582 -6.464 -11.932 1.00 4.00 C ATOM 302 O GLU A 22 1.438 -6.475 -12.393 1.00 52.34 O ATOM 303 CB GLU A 22 4.089 -8.389 -12.554 1.00 52.22 C ATOM 304 CG GLU A 22 5.079 -8.986 -13.552 1.00 24.13 C ATOM 305 CD GLU A 22 5.132 -10.508 -13.488 1.00 42.24 C ATOM 306 OE1 GLU A 22 4.181 -11.155 -13.977 1.00 60.22 O ATOM 307 OE2 GLU A 22 6.114 -11.064 -12.953 1.00 12.45 O ATOM 0 H GLU A 22 5.735 -6.557 -12.087 1.00 13.13 H new ATOM 0 HA GLU A 22 3.512 -6.772 -13.843 1.00 22.31 H new ATOM 0 HB2 GLU A 22 4.488 -8.508 -11.547 1.00 52.22 H new ATOM 0 HB3 GLU A 22 3.159 -8.955 -12.598 1.00 52.22 H new ATOM 0 HG2 GLU A 22 4.803 -8.678 -14.560 1.00 24.13 H new ATOM 0 HG3 GLU A 22 6.073 -8.583 -13.357 1.00 24.13 H new ATOM 314 N LEU A 23 2.854 -6.061 -10.690 1.00 25.14 N ATOM 315 CA LEU A 23 1.810 -5.566 -9.784 1.00 12.13 C ATOM 316 C LEU A 23 1.039 -4.386 -10.408 1.00 62.54 C ATOM 317 O LEU A 23 -0.185 -4.431 -10.554 1.00 52.11 O ATOM 318 CB LEU A 23 2.432 -5.134 -8.448 1.00 63.12 C ATOM 319 CG LEU A 23 1.431 -4.631 -7.394 1.00 13.02 C ATOM 320 CD1 LEU A 23 0.482 -5.749 -6.962 1.00 42.25 C ATOM 321 CD2 LEU A 23 2.162 -4.045 -6.187 1.00 4.12 C ATOM 0 H LEU A 23 3.790 -6.067 -10.285 1.00 25.14 H new ATOM 0 HA LEU A 23 1.105 -6.379 -9.610 1.00 12.13 H new ATOM 0 HB2 LEU A 23 2.981 -5.978 -8.031 1.00 63.12 H new ATOM 0 HB3 LEU A 23 3.159 -4.345 -8.642 1.00 63.12 H new ATOM 0 HG LEU A 23 0.835 -3.840 -7.848 1.00 13.02 H new ATOM 0 HD11 LEU A 23 -0.215 -5.367 -6.216 1.00 42.25 H new ATOM 0 HD12 LEU A 23 -0.074 -6.109 -7.828 1.00 42.25 H new ATOM 0 HD13 LEU A 23 1.058 -6.569 -6.533 1.00 42.25 H new ATOM 0 HD21 LEU A 23 1.434 -3.696 -5.455 1.00 4.12 H new ATOM 0 HD22 LEU A 23 2.791 -4.812 -5.735 1.00 4.12 H new ATOM 0 HD23 LEU A 23 2.783 -3.209 -6.508 1.00 4.12 H new ATOM 333 N LEU A 24 1.764 -3.335 -10.787 1.00 72.13 N ATOM 334 CA LEU A 24 1.144 -2.161 -11.412 1.00 24.12 C ATOM 335 C LEU A 24 0.595 -2.490 -12.811 1.00 73.12 C ATOM 336 O LEU A 24 -0.350 -1.856 -13.286 1.00 25.20 O ATOM 337 CB LEU A 24 2.145 -0.989 -11.457 1.00 11.34 C ATOM 338 CG LEU A 24 3.490 -1.255 -12.170 1.00 52.50 C ATOM 339 CD1 LEU A 24 3.369 -1.079 -13.683 1.00 31.03 C ATOM 340 CD2 LEU A 24 4.591 -0.357 -11.607 1.00 13.05 C ATOM 0 H LEU A 24 2.776 -3.269 -10.675 1.00 72.13 H new ATOM 0 HA LEU A 24 0.293 -1.859 -10.802 1.00 24.12 H new ATOM 0 HB2 LEU A 24 1.660 -0.145 -11.948 1.00 11.34 H new ATOM 0 HB3 LEU A 24 2.357 -0.683 -10.433 1.00 11.34 H new ATOM 0 HG LEU A 24 3.762 -2.293 -11.980 1.00 52.50 H new ATOM 0 HD11 LEU A 24 4.334 -1.274 -14.150 1.00 31.03 H new ATOM 0 HD12 LEU A 24 2.629 -1.778 -14.073 1.00 31.03 H new ATOM 0 HD13 LEU A 24 3.057 -0.059 -13.907 1.00 31.03 H new ATOM 0 HD21 LEU A 24 5.528 -0.562 -12.124 1.00 13.05 H new ATOM 0 HD22 LEU A 24 4.318 0.688 -11.752 1.00 13.05 H new ATOM 0 HD23 LEU A 24 4.713 -0.555 -10.542 1.00 13.05 H new ATOM 352 N SER A 25 1.184 -3.494 -13.461 1.00 64.21 N ATOM 353 CA SER A 25 0.703 -3.959 -14.772 1.00 11.44 C ATOM 354 C SER A 25 -0.696 -4.577 -14.657 1.00 23.52 C ATOM 355 O SER A 25 -1.536 -4.410 -15.543 1.00 33.33 O ATOM 356 CB SER A 25 1.676 -4.982 -15.372 1.00 41.10 C ATOM 357 OG SER A 25 1.303 -5.339 -16.694 1.00 62.41 O ATOM 0 H SER A 25 1.994 -4.003 -13.106 1.00 64.21 H new ATOM 0 HA SER A 25 0.647 -3.093 -15.432 1.00 11.44 H new ATOM 0 HB2 SER A 25 2.684 -4.568 -15.376 1.00 41.10 H new ATOM 0 HB3 SER A 25 1.700 -5.874 -14.746 1.00 41.10 H new ATOM 0 HG SER A 25 1.943 -5.991 -17.050 1.00 62.41 H new ATOM 363 N ALA A 26 -0.946 -5.280 -13.552 1.00 1.44 N ATOM 364 CA ALA A 26 -2.274 -5.840 -13.268 1.00 73.00 C ATOM 365 C ALA A 26 -3.308 -4.725 -13.030 1.00 2.54 C ATOM 366 O ALA A 26 -4.511 -4.912 -13.243 1.00 20.31 O ATOM 367 CB ALA A 26 -2.206 -6.767 -12.059 1.00 14.22 C ATOM 0 H ALA A 26 -0.247 -5.477 -12.836 1.00 1.44 H new ATOM 0 HA ALA A 26 -2.593 -6.414 -14.138 1.00 73.00 H new ATOM 0 HB1 ALA A 26 -3.196 -7.176 -11.858 1.00 14.22 H new ATOM 0 HB2 ALA A 26 -1.511 -7.582 -12.264 1.00 14.22 H new ATOM 0 HB3 ALA A 26 -1.862 -6.207 -11.190 1.00 14.22 H new ATOM 373 N LEU A 27 -2.826 -3.568 -12.579 1.00 43.11 N ATOM 374 CA LEU A 27 -3.670 -2.378 -12.398 1.00 51.41 C ATOM 375 C LEU A 27 -3.780 -1.601 -13.733 1.00 13.42 C ATOM 376 O LEU A 27 -4.494 -0.604 -13.835 1.00 53.55 O ATOM 377 CB LEU A 27 -3.070 -1.491 -11.282 1.00 44.43 C ATOM 378 CG LEU A 27 -4.073 -0.729 -10.382 1.00 12.13 C ATOM 379 CD1 LEU A 27 -4.816 0.365 -11.149 1.00 64.15 C ATOM 380 CD2 LEU A 27 -5.060 -1.702 -9.738 1.00 20.51 C ATOM 0 H LEU A 27 -1.848 -3.425 -12.329 1.00 43.11 H new ATOM 0 HA LEU A 27 -4.675 -2.678 -12.101 1.00 51.41 H new ATOM 0 HB2 LEU A 27 -2.451 -2.121 -10.643 1.00 44.43 H new ATOM 0 HB3 LEU A 27 -2.408 -0.761 -11.747 1.00 44.43 H new ATOM 0 HG LEU A 27 -3.498 -0.238 -9.596 1.00 12.13 H new ATOM 0 HD11 LEU A 27 -5.509 0.873 -10.478 1.00 64.15 H new ATOM 0 HD12 LEU A 27 -4.098 1.085 -11.543 1.00 64.15 H new ATOM 0 HD13 LEU A 27 -5.371 -0.082 -11.974 1.00 64.15 H new ATOM 0 HD21 LEU A 27 -5.758 -1.149 -9.109 1.00 20.51 H new ATOM 0 HD22 LEU A 27 -5.612 -2.229 -10.516 1.00 20.51 H new ATOM 0 HD23 LEU A 27 -4.515 -2.423 -9.129 1.00 20.51 H new ATOM 392 N LYS A 28 -3.067 -2.089 -14.754 1.00 1.02 N ATOM 393 CA LYS A 28 -3.070 -1.489 -16.099 1.00 64.21 C ATOM 394 C LYS A 28 -2.444 -0.083 -16.105 1.00 11.25 C ATOM 395 O LYS A 28 -2.776 0.754 -16.945 1.00 43.23 O ATOM 396 CB LYS A 28 -4.498 -1.446 -16.669 1.00 4.13 C ATOM 397 CG LYS A 28 -5.146 -2.823 -16.792 1.00 61.31 C ATOM 398 CD LYS A 28 -6.587 -2.735 -17.288 1.00 61.12 C ATOM 399 CE LYS A 28 -6.676 -2.157 -18.697 1.00 55.12 C ATOM 400 NZ LYS A 28 -8.084 -2.024 -19.154 1.00 4.22 N ATOM 0 H LYS A 28 -2.470 -2.912 -14.674 1.00 1.02 H new ATOM 0 HA LYS A 28 -2.454 -2.122 -16.738 1.00 64.21 H new ATOM 0 HB2 LYS A 28 -5.117 -0.818 -16.029 1.00 4.13 H new ATOM 0 HB3 LYS A 28 -4.474 -0.975 -17.652 1.00 4.13 H new ATOM 0 HG2 LYS A 28 -4.563 -3.438 -17.478 1.00 61.31 H new ATOM 0 HG3 LYS A 28 -5.126 -3.321 -15.823 1.00 61.31 H new ATOM 0 HD2 LYS A 28 -7.035 -3.728 -17.275 1.00 61.12 H new ATOM 0 HD3 LYS A 28 -7.168 -2.115 -16.605 1.00 61.12 H new ATOM 0 HE2 LYS A 28 -6.193 -1.180 -18.720 1.00 55.12 H new ATOM 0 HE3 LYS A 28 -6.129 -2.799 -19.388 1.00 55.12 H new ATOM 0 HZ1 LYS A 28 -8.101 -1.628 -20.115 1.00 4.22 H new ATOM 0 HZ2 LYS A 28 -8.538 -2.960 -19.157 1.00 4.22 H new ATOM 0 HZ3 LYS A 28 -8.600 -1.391 -18.510 1.00 4.22 H new ATOM 414 N VAL A 29 -1.522 0.161 -15.177 1.00 11.15 N ATOM 415 CA VAL A 29 -0.815 1.443 -15.104 1.00 64.32 C ATOM 416 C VAL A 29 0.211 1.573 -16.244 1.00 1.32 C ATOM 417 O VAL A 29 1.196 0.830 -16.294 1.00 43.32 O ATOM 418 CB VAL A 29 -0.088 1.618 -13.743 1.00 3.53 C ATOM 419 CG1 VAL A 29 0.631 2.966 -13.672 1.00 21.41 C ATOM 420 CG2 VAL A 29 -1.070 1.468 -12.585 1.00 13.54 C ATOM 0 H VAL A 29 -1.245 -0.512 -14.462 1.00 11.15 H new ATOM 0 HA VAL A 29 -1.568 2.225 -15.203 1.00 64.32 H new ATOM 0 HB VAL A 29 0.664 0.833 -13.660 1.00 3.53 H new ATOM 0 HG11 VAL A 29 1.131 3.061 -12.708 1.00 21.41 H new ATOM 0 HG12 VAL A 29 1.369 3.027 -14.472 1.00 21.41 H new ATOM 0 HG13 VAL A 29 -0.094 3.772 -13.785 1.00 21.41 H new ATOM 0 HG21 VAL A 29 -0.541 1.594 -11.640 1.00 13.54 H new ATOM 0 HG22 VAL A 29 -1.849 2.226 -12.668 1.00 13.54 H new ATOM 0 HG23 VAL A 29 -1.523 0.477 -12.618 1.00 13.54 H new ATOM 430 N ALA A 30 -0.038 2.505 -17.165 1.00 34.45 N ATOM 431 CA ALA A 30 0.896 2.782 -18.264 1.00 53.34 C ATOM 432 C ALA A 30 2.246 3.292 -17.734 1.00 43.45 C ATOM 433 O ALA A 30 2.322 3.819 -16.620 1.00 2.12 O ATOM 434 CB ALA A 30 0.288 3.798 -19.228 1.00 15.31 C ATOM 0 H ALA A 30 -0.879 3.083 -17.174 1.00 34.45 H new ATOM 0 HA ALA A 30 1.076 1.848 -18.797 1.00 53.34 H new ATOM 0 HB1 ALA A 30 0.989 3.995 -20.039 1.00 15.31 H new ATOM 0 HB2 ALA A 30 -0.639 3.399 -19.640 1.00 15.31 H new ATOM 0 HB3 ALA A 30 0.079 4.726 -18.695 1.00 15.31 H new ATOM 440 N GLN A 31 3.298 3.152 -18.543 1.00 32.14 N ATOM 441 CA GLN A 31 4.661 3.524 -18.131 1.00 55.24 C ATOM 442 C GLN A 31 5.106 2.700 -16.907 1.00 53.42 C ATOM 443 O GLN A 31 5.207 3.210 -15.790 1.00 72.21 O ATOM 444 CB GLN A 31 4.753 5.034 -17.844 1.00 73.05 C ATOM 445 CG GLN A 31 4.318 5.910 -19.017 1.00 5.02 C ATOM 446 CD GLN A 31 4.510 7.395 -18.748 1.00 34.52 C ATOM 447 OE1 GLN A 31 5.548 7.971 -19.066 1.00 34.20 O ATOM 448 NE2 GLN A 31 3.522 8.025 -18.147 1.00 25.11 N ATOM 0 H GLN A 31 3.236 2.783 -19.492 1.00 32.14 H new ATOM 0 HA GLN A 31 5.339 3.297 -18.954 1.00 55.24 H new ATOM 0 HB2 GLN A 31 4.134 5.268 -16.978 1.00 73.05 H new ATOM 0 HB3 GLN A 31 5.781 5.282 -17.578 1.00 73.05 H new ATOM 0 HG2 GLN A 31 4.886 5.630 -19.904 1.00 5.02 H new ATOM 0 HG3 GLN A 31 3.268 5.718 -19.238 1.00 5.02 H new ATOM 0 HE21 GLN A 31 2.673 7.519 -17.896 1.00 25.11 H new ATOM 0 HE22 GLN A 31 3.606 9.019 -17.933 1.00 25.11 H new ATOM 457 N ALA A 32 5.382 1.418 -17.147 1.00 45.04 N ATOM 458 CA ALA A 32 5.638 0.444 -16.074 1.00 41.45 C ATOM 459 C ALA A 32 6.947 0.712 -15.318 1.00 0.42 C ATOM 460 O ALA A 32 7.168 0.179 -14.229 1.00 20.42 O ATOM 461 CB ALA A 32 5.637 -0.969 -16.649 1.00 11.21 C ATOM 0 H ALA A 32 5.435 1.022 -18.085 1.00 45.04 H new ATOM 0 HA ALA A 32 4.834 0.551 -15.346 1.00 41.45 H new ATOM 0 HB1 ALA A 32 5.827 -1.687 -15.851 1.00 11.21 H new ATOM 0 HB2 ALA A 32 4.667 -1.177 -17.101 1.00 11.21 H new ATOM 0 HB3 ALA A 32 6.416 -1.054 -17.407 1.00 11.21 H new ATOM 467 N GLU A 33 7.815 1.526 -15.903 1.00 31.02 N ATOM 468 CA GLU A 33 9.087 1.882 -15.271 1.00 3.43 C ATOM 469 C GLU A 33 9.128 3.369 -14.889 1.00 30.30 C ATOM 470 O GLU A 33 9.594 3.720 -13.810 1.00 53.03 O ATOM 471 CB GLU A 33 10.277 1.540 -16.190 1.00 60.12 C ATOM 472 CG GLU A 33 10.388 2.390 -17.458 1.00 11.34 C ATOM 473 CD GLU A 33 9.324 2.072 -18.496 1.00 24.20 C ATOM 474 OE1 GLU A 33 8.211 2.631 -18.412 1.00 2.14 O ATOM 475 OE2 GLU A 33 9.602 1.258 -19.401 1.00 11.54 O ATOM 0 H GLU A 33 7.665 1.955 -16.816 1.00 31.02 H new ATOM 0 HA GLU A 33 9.169 1.292 -14.358 1.00 3.43 H new ATOM 0 HB2 GLU A 33 11.199 1.647 -15.618 1.00 60.12 H new ATOM 0 HB3 GLU A 33 10.202 0.492 -16.480 1.00 60.12 H new ATOM 0 HG2 GLU A 33 10.317 3.443 -17.187 1.00 11.34 H new ATOM 0 HG3 GLU A 33 11.373 2.241 -17.901 1.00 11.34 H new ATOM 482 N TYR A 34 8.626 4.237 -15.772 1.00 32.44 N ATOM 483 CA TYR A 34 8.667 5.690 -15.539 1.00 54.11 C ATOM 484 C TYR A 34 7.905 6.092 -14.264 1.00 10.24 C ATOM 485 O TYR A 34 8.139 7.163 -13.701 1.00 74.43 O ATOM 486 CB TYR A 34 8.096 6.453 -16.741 1.00 63.34 C ATOM 487 CG TYR A 34 8.737 6.090 -18.072 1.00 35.14 C ATOM 488 CD1 TYR A 34 10.118 6.110 -18.235 1.00 73.52 C ATOM 489 CD2 TYR A 34 7.956 5.730 -19.167 1.00 13.01 C ATOM 490 CE1 TYR A 34 10.698 5.783 -19.448 1.00 12.41 C ATOM 491 CE2 TYR A 34 8.527 5.405 -20.378 1.00 12.11 C ATOM 492 CZ TYR A 34 9.897 5.433 -20.515 1.00 1.32 C ATOM 493 OH TYR A 34 10.468 5.113 -21.726 1.00 31.35 O ATOM 0 H TYR A 34 8.188 3.964 -16.652 1.00 32.44 H new ATOM 0 HA TYR A 34 9.715 5.957 -15.406 1.00 54.11 H new ATOM 0 HB2 TYR A 34 7.025 6.262 -16.803 1.00 63.34 H new ATOM 0 HB3 TYR A 34 8.220 7.522 -16.570 1.00 63.34 H new ATOM 0 HD1 TYR A 34 10.748 6.385 -17.402 1.00 73.52 H new ATOM 0 HD2 TYR A 34 6.881 5.705 -19.065 1.00 13.01 H new ATOM 0 HE1 TYR A 34 11.772 5.802 -19.559 1.00 12.41 H new ATOM 0 HE2 TYR A 34 7.903 5.130 -21.216 1.00 12.11 H new ATOM 0 HH TYR A 34 9.764 4.889 -22.370 1.00 31.35 H new ATOM 503 N VAL A 35 6.994 5.230 -13.818 1.00 4.22 N ATOM 504 CA VAL A 35 6.247 5.457 -12.579 1.00 44.00 C ATOM 505 C VAL A 35 7.191 5.557 -11.367 1.00 73.12 C ATOM 506 O VAL A 35 8.272 4.961 -11.350 1.00 1.54 O ATOM 507 CB VAL A 35 5.212 4.324 -12.330 1.00 31.13 C ATOM 508 CG1 VAL A 35 5.909 2.969 -12.193 1.00 33.23 C ATOM 509 CG2 VAL A 35 4.354 4.625 -11.099 1.00 74.15 C ATOM 0 H VAL A 35 6.753 4.363 -14.298 1.00 4.22 H new ATOM 0 HA VAL A 35 5.718 6.403 -12.696 1.00 44.00 H new ATOM 0 HB VAL A 35 4.551 4.277 -13.195 1.00 31.13 H new ATOM 0 HG11 VAL A 35 5.164 2.193 -12.019 1.00 33.23 H new ATOM 0 HG12 VAL A 35 6.457 2.748 -13.109 1.00 33.23 H new ATOM 0 HG13 VAL A 35 6.603 3.000 -11.353 1.00 33.23 H new ATOM 0 HG21 VAL A 35 3.639 3.817 -10.948 1.00 74.15 H new ATOM 0 HG22 VAL A 35 4.995 4.712 -10.221 1.00 74.15 H new ATOM 0 HG23 VAL A 35 3.817 5.561 -11.250 1.00 74.15 H new ATOM 519 N THR A 36 6.793 6.334 -10.365 1.00 54.23 N ATOM 520 CA THR A 36 7.564 6.447 -9.121 1.00 55.21 C ATOM 521 C THR A 36 6.766 5.909 -7.929 1.00 60.41 C ATOM 522 O THR A 36 5.735 6.470 -7.557 1.00 22.30 O ATOM 523 CB THR A 36 7.982 7.912 -8.831 1.00 40.42 C ATOM 524 OG1 THR A 36 8.809 8.411 -9.894 1.00 12.42 O ATOM 525 CG2 THR A 36 8.738 8.022 -7.505 1.00 72.44 C ATOM 0 H THR A 36 5.942 6.896 -10.385 1.00 54.23 H new ATOM 0 HA THR A 36 8.464 5.848 -9.257 1.00 55.21 H new ATOM 0 HB THR A 36 7.073 8.509 -8.762 1.00 40.42 H new ATOM 0 HG1 THR A 36 8.255 8.902 -10.536 1.00 12.42 H new ATOM 0 HG21 THR A 36 9.017 9.061 -7.330 1.00 72.44 H new ATOM 0 HG22 THR A 36 8.099 7.676 -6.692 1.00 72.44 H new ATOM 0 HG23 THR A 36 9.637 7.407 -7.547 1.00 72.44 H new ATOM 533 N VAL A 37 7.242 4.813 -7.344 1.00 43.12 N ATOM 534 CA VAL A 37 6.595 4.205 -6.174 1.00 63.31 C ATOM 535 C VAL A 37 7.603 3.977 -5.039 1.00 43.11 C ATOM 536 O VAL A 37 8.791 3.741 -5.282 1.00 74.50 O ATOM 537 CB VAL A 37 5.920 2.854 -6.531 1.00 50.43 C ATOM 538 CG1 VAL A 37 4.827 3.055 -7.578 1.00 4.53 C ATOM 539 CG2 VAL A 37 6.957 1.835 -7.012 1.00 34.51 C ATOM 0 H VAL A 37 8.078 4.322 -7.660 1.00 43.12 H new ATOM 0 HA VAL A 37 5.829 4.905 -5.842 1.00 63.31 H new ATOM 0 HB VAL A 37 5.455 2.459 -5.628 1.00 50.43 H new ATOM 0 HG11 VAL A 37 4.367 2.095 -7.813 1.00 4.53 H new ATOM 0 HG12 VAL A 37 4.069 3.734 -7.187 1.00 4.53 H new ATOM 0 HG13 VAL A 37 5.263 3.480 -8.482 1.00 4.53 H new ATOM 0 HG21 VAL A 37 6.459 0.897 -7.256 1.00 34.51 H new ATOM 0 HG22 VAL A 37 7.461 2.220 -7.899 1.00 34.51 H new ATOM 0 HG23 VAL A 37 7.690 1.662 -6.224 1.00 34.51 H new ATOM 549 N GLU A 38 7.126 4.047 -3.802 1.00 43.42 N ATOM 550 CA GLU A 38 7.978 3.825 -2.634 1.00 54.04 C ATOM 551 C GLU A 38 7.363 2.792 -1.672 1.00 15.02 C ATOM 552 O GLU A 38 6.220 2.927 -1.246 1.00 4.05 O ATOM 553 CB GLU A 38 8.259 5.161 -1.921 1.00 41.15 C ATOM 554 CG GLU A 38 7.017 5.992 -1.602 1.00 31.41 C ATOM 555 CD GLU A 38 7.364 7.383 -1.090 1.00 61.12 C ATOM 556 OE1 GLU A 38 7.816 8.223 -1.899 1.00 33.02 O ATOM 557 OE2 GLU A 38 7.204 7.644 0.123 1.00 32.25 O ATOM 0 H GLU A 38 6.153 4.256 -3.579 1.00 43.42 H new ATOM 0 HA GLU A 38 8.926 3.412 -2.977 1.00 54.04 H new ATOM 0 HB2 GLU A 38 8.790 4.956 -0.991 1.00 41.15 H new ATOM 0 HB3 GLU A 38 8.926 5.756 -2.545 1.00 41.15 H new ATOM 0 HG2 GLU A 38 6.403 6.081 -2.498 1.00 31.41 H new ATOM 0 HG3 GLU A 38 6.418 5.472 -0.855 1.00 31.41 H new ATOM 564 N LEU A 39 8.138 1.758 -1.344 1.00 61.30 N ATOM 565 CA LEU A 39 7.676 0.676 -0.468 1.00 42.10 C ATOM 566 C LEU A 39 7.817 1.073 1.011 1.00 41.14 C ATOM 567 O LEU A 39 8.930 1.193 1.523 1.00 14.24 O ATOM 568 CB LEU A 39 8.483 -0.606 -0.762 1.00 65.22 C ATOM 569 CG LEU A 39 7.653 -1.872 -1.042 1.00 11.25 C ATOM 570 CD1 LEU A 39 6.794 -2.243 0.164 1.00 0.23 C ATOM 571 CD2 LEU A 39 6.791 -1.686 -2.293 1.00 24.13 C ATOM 0 H LEU A 39 9.097 1.645 -1.674 1.00 61.30 H new ATOM 0 HA LEU A 39 6.621 0.489 -0.666 1.00 42.10 H new ATOM 0 HB2 LEU A 39 9.126 -0.419 -1.622 1.00 65.22 H new ATOM 0 HB3 LEU A 39 9.137 -0.804 0.087 1.00 65.22 H new ATOM 0 HG LEU A 39 8.343 -2.696 -1.224 1.00 11.25 H new ATOM 0 HD11 LEU A 39 6.218 -3.141 -0.062 1.00 0.23 H new ATOM 0 HD12 LEU A 39 7.436 -2.431 1.024 1.00 0.23 H new ATOM 0 HD13 LEU A 39 6.113 -1.423 0.392 1.00 0.23 H new ATOM 0 HD21 LEU A 39 6.212 -2.592 -2.474 1.00 24.13 H new ATOM 0 HD22 LEU A 39 6.113 -0.845 -2.146 1.00 24.13 H new ATOM 0 HD23 LEU A 39 7.433 -1.488 -3.151 1.00 24.13 H new ATOM 583 N ASN A 40 6.688 1.288 1.687 1.00 55.41 N ATOM 584 CA ASN A 40 6.682 1.736 3.088 1.00 40.03 C ATOM 585 C ASN A 40 7.329 3.122 3.223 1.00 32.13 C ATOM 586 O ASN A 40 7.890 3.466 4.265 1.00 63.31 O ATOM 587 CB ASN A 40 7.411 0.730 3.997 1.00 2.51 C ATOM 588 CG ASN A 40 6.744 -0.631 4.017 1.00 44.20 C ATOM 589 OD1 ASN A 40 7.220 -1.542 3.193 1.00 2.50 O flip ATOM 590 ND2 ASN A 40 5.821 -0.868 4.787 1.00 73.02 N flip ATOM 0 H ASN A 40 5.758 1.159 1.288 1.00 55.41 H new ATOM 0 HA ASN A 40 5.641 1.800 3.405 1.00 40.03 H new ATOM 0 HB2 ASN A 40 8.441 0.620 3.658 1.00 2.51 H new ATOM 0 HB3 ASN A 40 7.450 1.126 5.012 1.00 2.51 H new ATOM 0 HD21 ASN A 40 5.478 -0.138 5.411 1.00 73.02 H new ATOM 0 HD22 ASN A 40 5.396 -1.795 4.804 1.00 73.02 H new ATOM 597 N GLY A 41 7.222 3.925 2.169 1.00 14.14 N ATOM 598 CA GLY A 41 7.880 5.226 2.145 1.00 43.50 C ATOM 599 C GLY A 41 9.329 5.167 1.655 1.00 73.12 C ATOM 600 O GLY A 41 10.024 6.185 1.629 1.00 2.13 O ATOM 0 H GLY A 41 6.691 3.700 1.328 1.00 14.14 H new ATOM 0 HA2 GLY A 41 7.314 5.899 1.501 1.00 43.50 H new ATOM 0 HA3 GLY A 41 7.861 5.653 3.148 1.00 43.50 H new ATOM 604 N GLU A 42 9.785 3.975 1.270 1.00 5.52 N ATOM 605 CA GLU A 42 11.152 3.779 0.766 1.00 61.23 C ATOM 606 C GLU A 42 11.156 3.622 -0.765 1.00 43.44 C ATOM 607 O GLU A 42 10.670 2.623 -1.293 1.00 52.11 O ATOM 608 CB GLU A 42 11.773 2.539 1.424 1.00 34.10 C ATOM 609 CG GLU A 42 13.174 2.191 0.923 1.00 40.43 C ATOM 610 CD GLU A 42 13.715 0.922 1.560 1.00 53.52 C ATOM 611 OE1 GLU A 42 13.307 -0.179 1.133 1.00 65.33 O ATOM 612 OE2 GLU A 42 14.524 1.019 2.507 1.00 23.22 O ATOM 0 H GLU A 42 9.226 3.122 1.297 1.00 5.52 H new ATOM 0 HA GLU A 42 11.744 4.659 1.019 1.00 61.23 H new ATOM 0 HB2 GLU A 42 11.815 2.698 2.502 1.00 34.10 H new ATOM 0 HB3 GLU A 42 11.117 1.685 1.253 1.00 34.10 H new ATOM 0 HG2 GLU A 42 13.151 2.070 -0.160 1.00 40.43 H new ATOM 0 HG3 GLU A 42 13.850 3.019 1.137 1.00 40.43 H new ATOM 619 N VAL A 43 11.702 4.609 -1.472 1.00 51.12 N ATOM 620 CA VAL A 43 11.688 4.609 -2.943 1.00 65.05 C ATOM 621 C VAL A 43 12.655 3.567 -3.540 1.00 1.31 C ATOM 622 O VAL A 43 13.778 3.395 -3.060 1.00 51.12 O ATOM 623 CB VAL A 43 12.028 6.016 -3.502 1.00 43.34 C ATOM 624 CG1 VAL A 43 13.426 6.454 -3.067 1.00 15.00 C ATOM 625 CG2 VAL A 43 11.887 6.053 -5.025 1.00 25.55 C ATOM 0 H VAL A 43 12.160 5.420 -1.056 1.00 51.12 H new ATOM 0 HA VAL A 43 10.676 4.336 -3.242 1.00 65.05 H new ATOM 0 HB VAL A 43 11.311 6.724 -3.086 1.00 43.34 H new ATOM 0 HG11 VAL A 43 13.640 7.443 -3.472 1.00 15.00 H new ATOM 0 HG12 VAL A 43 13.474 6.489 -1.979 1.00 15.00 H new ATOM 0 HG13 VAL A 43 14.163 5.742 -3.440 1.00 15.00 H new ATOM 0 HG21 VAL A 43 12.131 7.051 -5.389 1.00 25.55 H new ATOM 0 HG22 VAL A 43 12.567 5.327 -5.471 1.00 25.55 H new ATOM 0 HG23 VAL A 43 10.862 5.807 -5.302 1.00 25.55 H new ATOM 635 N LEU A 44 12.202 2.868 -4.585 1.00 24.12 N ATOM 636 CA LEU A 44 13.038 1.879 -5.285 1.00 32.50 C ATOM 637 C LEU A 44 13.428 2.376 -6.683 1.00 15.42 C ATOM 638 O LEU A 44 12.803 3.283 -7.231 1.00 4.23 O ATOM 639 CB LEU A 44 12.317 0.520 -5.418 1.00 75.12 C ATOM 640 CG LEU A 44 11.974 -0.209 -4.104 1.00 12.35 C ATOM 641 CD1 LEU A 44 13.184 -0.260 -3.172 1.00 34.25 C ATOM 642 CD2 LEU A 44 10.771 0.434 -3.417 1.00 32.13 C ATOM 0 H LEU A 44 11.262 2.966 -4.967 1.00 24.12 H new ATOM 0 HA LEU A 44 13.937 1.746 -4.684 1.00 32.50 H new ATOM 0 HB2 LEU A 44 11.392 0.678 -5.972 1.00 75.12 H new ATOM 0 HB3 LEU A 44 12.941 -0.140 -6.021 1.00 75.12 H new ATOM 0 HG LEU A 44 11.704 -1.236 -4.351 1.00 12.35 H new ATOM 0 HD11 LEU A 44 12.914 -0.780 -2.253 1.00 34.25 H new ATOM 0 HD12 LEU A 44 13.999 -0.791 -3.663 1.00 34.25 H new ATOM 0 HD13 LEU A 44 13.503 0.755 -2.935 1.00 34.25 H new ATOM 0 HD21 LEU A 44 10.551 -0.100 -2.493 1.00 32.13 H new ATOM 0 HD22 LEU A 44 10.996 1.476 -3.189 1.00 32.13 H new ATOM 0 HD23 LEU A 44 9.906 0.386 -4.078 1.00 32.13 H new ATOM 654 N GLU A 45 14.467 1.770 -7.252 1.00 3.20 N ATOM 655 CA GLU A 45 14.908 2.085 -8.617 1.00 74.44 C ATOM 656 C GLU A 45 14.194 1.159 -9.627 1.00 60.43 C ATOM 657 O GLU A 45 13.770 0.057 -9.272 1.00 3.23 O ATOM 658 CB GLU A 45 16.444 1.934 -8.697 1.00 4.15 C ATOM 659 CG GLU A 45 17.128 2.727 -9.819 1.00 1.12 C ATOM 660 CD GLU A 45 16.947 2.112 -11.197 1.00 30.34 C ATOM 661 OE1 GLU A 45 17.429 0.983 -11.410 1.00 52.32 O ATOM 662 OE2 GLU A 45 16.323 2.752 -12.072 1.00 45.21 O ATOM 0 H GLU A 45 15.025 1.053 -6.789 1.00 3.20 H new ATOM 0 HA GLU A 45 14.647 3.113 -8.870 1.00 74.44 H new ATOM 0 HB2 GLU A 45 16.872 2.244 -7.744 1.00 4.15 H new ATOM 0 HB3 GLU A 45 16.682 0.878 -8.825 1.00 4.15 H new ATOM 0 HG2 GLU A 45 16.731 3.742 -9.829 1.00 1.12 H new ATOM 0 HG3 GLU A 45 18.193 2.803 -9.601 1.00 1.12 H new ATOM 669 N ARG A 46 14.066 1.602 -10.877 1.00 33.12 N ATOM 670 CA ARG A 46 13.325 0.849 -11.908 1.00 62.21 C ATOM 671 C ARG A 46 13.823 -0.598 -12.057 1.00 71.24 C ATOM 672 O ARG A 46 13.030 -1.518 -12.264 1.00 42.32 O ATOM 673 CB ARG A 46 13.391 1.572 -13.263 1.00 33.05 C ATOM 674 CG ARG A 46 12.393 2.719 -13.401 1.00 12.02 C ATOM 675 CD ARG A 46 12.649 3.866 -12.424 1.00 60.55 C ATOM 676 NE ARG A 46 11.475 4.728 -12.298 1.00 53.21 N ATOM 677 CZ ARG A 46 11.504 6.030 -12.267 1.00 40.44 C ATOM 678 NH1 ARG A 46 12.610 6.679 -12.451 1.00 61.34 N ATOM 679 NH2 ARG A 46 10.406 6.687 -12.096 1.00 13.13 N ATOM 0 H ARG A 46 14.464 2.481 -11.208 1.00 33.12 H new ATOM 0 HA ARG A 46 12.288 0.802 -11.574 1.00 62.21 H new ATOM 0 HB2 ARG A 46 14.399 1.961 -13.408 1.00 33.05 H new ATOM 0 HB3 ARG A 46 13.211 0.849 -14.059 1.00 33.05 H new ATOM 0 HG2 ARG A 46 12.432 3.104 -14.420 1.00 12.02 H new ATOM 0 HG3 ARG A 46 11.385 2.335 -13.243 1.00 12.02 H new ATOM 0 HD2 ARG A 46 12.913 3.462 -11.447 1.00 60.55 H new ATOM 0 HD3 ARG A 46 13.500 4.455 -12.766 1.00 60.55 H new ATOM 0 HE ARG A 46 10.564 4.275 -12.229 1.00 53.21 H new ATOM 0 HH11 ARG A 46 13.477 6.170 -12.624 1.00 61.34 H new ATOM 0 HH12 ARG A 46 12.614 7.699 -12.423 1.00 61.34 H new ATOM 0 HH21 ARG A 46 9.524 6.187 -11.986 1.00 13.13 H new ATOM 0 HH22 ARG A 46 10.420 7.707 -12.071 1.00 13.13 H new ATOM 693 N GLU A 47 15.130 -0.800 -11.957 1.00 50.03 N ATOM 694 CA GLU A 47 15.706 -2.148 -12.000 1.00 40.11 C ATOM 695 C GLU A 47 15.339 -2.941 -10.730 1.00 60.12 C ATOM 696 O GLU A 47 15.177 -4.165 -10.764 1.00 53.30 O ATOM 697 CB GLU A 47 17.228 -2.050 -12.161 1.00 21.43 C ATOM 698 CG GLU A 47 17.937 -3.391 -12.281 1.00 73.01 C ATOM 699 CD GLU A 47 19.430 -3.228 -12.495 1.00 54.13 C ATOM 700 OE1 GLU A 47 20.134 -2.874 -11.529 1.00 50.20 O ATOM 701 OE2 GLU A 47 19.904 -3.437 -13.633 1.00 33.35 O ATOM 0 H GLU A 47 15.815 -0.052 -11.846 1.00 50.03 H new ATOM 0 HA GLU A 47 15.293 -2.683 -12.855 1.00 40.11 H new ATOM 0 HB2 GLU A 47 17.449 -1.456 -13.047 1.00 21.43 H new ATOM 0 HB3 GLU A 47 17.637 -1.512 -11.306 1.00 21.43 H new ATOM 0 HG2 GLU A 47 17.762 -3.976 -11.378 1.00 73.01 H new ATOM 0 HG3 GLU A 47 17.511 -3.953 -13.112 1.00 73.01 H new ATOM 708 N ALA A 48 15.186 -2.226 -9.612 1.00 2.23 N ATOM 709 CA ALA A 48 14.802 -2.839 -8.337 1.00 71.52 C ATOM 710 C ALA A 48 13.324 -3.271 -8.331 1.00 4.22 C ATOM 711 O ALA A 48 12.937 -4.157 -7.569 1.00 25.52 O ATOM 712 CB ALA A 48 15.084 -1.880 -7.185 1.00 64.22 C ATOM 0 H ALA A 48 15.323 -1.216 -9.564 1.00 2.23 H new ATOM 0 HA ALA A 48 15.404 -3.738 -8.207 1.00 71.52 H new ATOM 0 HB1 ALA A 48 14.794 -2.347 -6.244 1.00 64.22 H new ATOM 0 HB2 ALA A 48 16.148 -1.643 -7.161 1.00 64.22 H new ATOM 0 HB3 ALA A 48 14.512 -0.963 -7.326 1.00 64.22 H new ATOM 718 N PHE A 49 12.502 -2.637 -9.177 1.00 74.54 N ATOM 719 CA PHE A 49 11.092 -3.041 -9.341 1.00 44.11 C ATOM 720 C PHE A 49 10.989 -4.525 -9.725 1.00 24.43 C ATOM 721 O PHE A 49 10.127 -5.256 -9.236 1.00 63.03 O ATOM 722 CB PHE A 49 10.396 -2.196 -10.425 1.00 21.31 C ATOM 723 CG PHE A 49 10.198 -0.735 -10.086 1.00 43.33 C ATOM 724 CD1 PHE A 49 10.632 -0.201 -8.879 1.00 1.44 C ATOM 725 CD2 PHE A 49 9.562 0.106 -10.990 1.00 22.24 C ATOM 726 CE1 PHE A 49 10.438 1.136 -8.586 1.00 62.54 C ATOM 727 CE2 PHE A 49 9.367 1.442 -10.701 1.00 51.11 C ATOM 728 CZ PHE A 49 9.805 1.959 -9.499 1.00 5.51 C ATOM 0 H PHE A 49 12.783 -1.846 -9.757 1.00 74.54 H new ATOM 0 HA PHE A 49 10.596 -2.878 -8.384 1.00 44.11 H new ATOM 0 HB2 PHE A 49 10.980 -2.262 -11.343 1.00 21.31 H new ATOM 0 HB3 PHE A 49 9.422 -2.637 -10.635 1.00 21.31 H new ATOM 0 HD1 PHE A 49 11.127 -0.838 -8.161 1.00 1.44 H new ATOM 0 HD2 PHE A 49 9.215 -0.291 -11.933 1.00 22.24 H new ATOM 0 HE1 PHE A 49 10.781 1.538 -7.644 1.00 62.54 H new ATOM 0 HE2 PHE A 49 8.872 2.082 -11.416 1.00 51.11 H new ATOM 0 HZ PHE A 49 9.654 3.004 -9.272 1.00 5.51 H new ATOM 738 N ASP A 50 11.887 -4.944 -10.610 1.00 14.12 N ATOM 739 CA ASP A 50 11.957 -6.330 -11.078 1.00 22.33 C ATOM 740 C ASP A 50 12.459 -7.285 -9.974 1.00 44.41 C ATOM 741 O ASP A 50 11.984 -8.416 -9.852 1.00 24.12 O ATOM 742 CB ASP A 50 12.869 -6.381 -12.311 1.00 23.20 C ATOM 743 CG ASP A 50 13.188 -7.790 -12.773 1.00 12.14 C ATOM 744 OD1 ASP A 50 12.304 -8.452 -13.355 1.00 51.41 O ATOM 745 OD2 ASP A 50 14.337 -8.236 -12.564 1.00 32.41 O ATOM 0 H ASP A 50 12.590 -4.333 -11.026 1.00 14.12 H new ATOM 0 HA ASP A 50 10.955 -6.668 -11.344 1.00 22.33 H new ATOM 0 HB2 ASP A 50 12.392 -5.839 -13.128 1.00 23.20 H new ATOM 0 HB3 ASP A 50 13.801 -5.862 -12.085 1.00 23.20 H new ATOM 750 N ALA A 51 13.415 -6.820 -9.174 1.00 53.22 N ATOM 751 CA ALA A 51 13.988 -7.633 -8.090 1.00 32.25 C ATOM 752 C ALA A 51 13.040 -7.741 -6.880 1.00 15.42 C ATOM 753 O ALA A 51 13.000 -8.767 -6.196 1.00 24.11 O ATOM 754 CB ALA A 51 15.329 -7.052 -7.658 1.00 73.00 C ATOM 0 H ALA A 51 13.814 -5.884 -9.251 1.00 53.22 H new ATOM 0 HA ALA A 51 14.134 -8.641 -8.477 1.00 32.25 H new ATOM 0 HB1 ALA A 51 15.747 -7.659 -6.855 1.00 73.00 H new ATOM 0 HB2 ALA A 51 16.014 -7.049 -8.506 1.00 73.00 H new ATOM 0 HB3 ALA A 51 15.186 -6.031 -7.304 1.00 73.00 H new ATOM 760 N THR A 52 12.283 -6.678 -6.622 1.00 24.25 N ATOM 761 CA THR A 52 11.346 -6.646 -5.488 1.00 44.42 C ATOM 762 C THR A 52 10.028 -7.344 -5.843 1.00 45.34 C ATOM 763 O THR A 52 9.202 -6.797 -6.576 1.00 2.20 O ATOM 764 CB THR A 52 11.038 -5.192 -5.043 1.00 2.24 C ATOM 765 OG1 THR A 52 12.258 -4.489 -4.764 1.00 72.52 O ATOM 766 CG2 THR A 52 10.149 -5.167 -3.802 1.00 23.23 C ATOM 0 H THR A 52 12.296 -5.824 -7.179 1.00 24.25 H new ATOM 0 HA THR A 52 11.830 -7.174 -4.667 1.00 44.42 H new ATOM 0 HB THR A 52 10.509 -4.703 -5.861 1.00 2.24 H new ATOM 0 HG1 THR A 52 12.701 -4.255 -5.606 1.00 72.52 H new ATOM 0 HG21 THR A 52 9.952 -4.134 -3.516 1.00 23.23 H new ATOM 0 HG22 THR A 52 9.206 -5.669 -4.019 1.00 23.23 H new ATOM 0 HG23 THR A 52 10.653 -5.680 -2.983 1.00 23.23 H new ATOM 774 N THR A 53 9.838 -8.555 -5.325 1.00 22.33 N ATOM 775 CA THR A 53 8.631 -9.339 -5.615 1.00 1.34 C ATOM 776 C THR A 53 7.553 -9.142 -4.542 1.00 15.44 C ATOM 777 O THR A 53 7.700 -9.584 -3.400 1.00 72.12 O ATOM 778 CB THR A 53 8.943 -10.850 -5.759 1.00 25.14 C ATOM 779 OG1 THR A 53 9.558 -11.361 -4.563 1.00 11.24 O ATOM 780 CG2 THR A 53 9.861 -11.102 -6.952 1.00 1.40 C ATOM 0 H THR A 53 10.501 -9.018 -4.703 1.00 22.33 H new ATOM 0 HA THR A 53 8.251 -8.969 -6.567 1.00 1.34 H new ATOM 0 HB THR A 53 7.998 -11.369 -5.922 1.00 25.14 H new ATOM 0 HG1 THR A 53 9.159 -10.929 -3.779 1.00 11.24 H new ATOM 0 HG21 THR A 53 10.067 -12.169 -7.034 1.00 1.40 H new ATOM 0 HG22 THR A 53 9.376 -10.755 -7.864 1.00 1.40 H new ATOM 0 HG23 THR A 53 10.797 -10.562 -6.811 1.00 1.40 H new ATOM 788 N VAL A 54 6.472 -8.473 -4.927 1.00 42.21 N ATOM 789 CA VAL A 54 5.352 -8.190 -4.025 1.00 2.41 C ATOM 790 C VAL A 54 4.509 -9.450 -3.762 1.00 35.33 C ATOM 791 O VAL A 54 4.068 -10.125 -4.697 1.00 5.42 O ATOM 792 CB VAL A 54 4.442 -7.081 -4.612 1.00 5.31 C ATOM 793 CG1 VAL A 54 3.246 -6.804 -3.701 1.00 41.44 C ATOM 794 CG2 VAL A 54 5.243 -5.804 -4.858 1.00 31.22 C ATOM 0 H VAL A 54 6.343 -8.110 -5.872 1.00 42.21 H new ATOM 0 HA VAL A 54 5.777 -7.850 -3.081 1.00 2.41 H new ATOM 0 HB VAL A 54 4.055 -7.435 -5.568 1.00 5.31 H new ATOM 0 HG11 VAL A 54 2.627 -6.022 -4.141 1.00 41.44 H new ATOM 0 HG12 VAL A 54 2.656 -7.713 -3.589 1.00 41.44 H new ATOM 0 HG13 VAL A 54 3.601 -6.479 -2.723 1.00 41.44 H new ATOM 0 HG21 VAL A 54 4.587 -5.037 -5.270 1.00 31.22 H new ATOM 0 HG22 VAL A 54 5.666 -5.453 -3.917 1.00 31.22 H new ATOM 0 HG23 VAL A 54 6.048 -6.010 -5.563 1.00 31.22 H new ATOM 804 N LYS A 55 4.294 -9.757 -2.481 1.00 10.43 N ATOM 805 CA LYS A 55 3.503 -10.926 -2.079 1.00 23.42 C ATOM 806 C LYS A 55 3.158 -10.891 -0.578 1.00 74.43 C ATOM 807 O LYS A 55 3.898 -11.416 0.255 1.00 71.14 O ATOM 808 CB LYS A 55 4.247 -12.232 -2.432 1.00 61.40 C ATOM 809 CG LYS A 55 5.685 -12.298 -1.909 1.00 14.42 C ATOM 810 CD LYS A 55 6.344 -13.639 -2.222 1.00 53.41 C ATOM 811 CE LYS A 55 5.639 -14.798 -1.522 1.00 70.35 C ATOM 812 NZ LYS A 55 6.224 -16.111 -1.898 1.00 33.11 N ATOM 0 H LYS A 55 4.658 -9.211 -1.700 1.00 10.43 H new ATOM 0 HA LYS A 55 2.565 -10.895 -2.634 1.00 23.42 H new ATOM 0 HB2 LYS A 55 3.687 -13.076 -2.029 1.00 61.40 H new ATOM 0 HB3 LYS A 55 4.261 -12.347 -3.516 1.00 61.40 H new ATOM 0 HG2 LYS A 55 6.270 -11.493 -2.354 1.00 14.42 H new ATOM 0 HG3 LYS A 55 5.687 -12.135 -0.831 1.00 14.42 H new ATOM 0 HD2 LYS A 55 6.334 -13.806 -3.299 1.00 53.41 H new ATOM 0 HD3 LYS A 55 7.389 -13.610 -1.914 1.00 53.41 H new ATOM 0 HE2 LYS A 55 5.708 -14.666 -0.442 1.00 70.35 H new ATOM 0 HE3 LYS A 55 4.579 -14.786 -1.778 1.00 70.35 H new ATOM 0 HZ1 LYS A 55 5.812 -16.858 -1.303 1.00 33.11 H new ATOM 0 HZ2 LYS A 55 6.016 -16.310 -2.897 1.00 33.11 H new ATOM 0 HZ3 LYS A 55 7.254 -16.085 -1.757 1.00 33.11 H new ATOM 826 N ASP A 56 2.036 -10.242 -0.246 1.00 42.11 N ATOM 827 CA ASP A 56 1.546 -10.147 1.143 1.00 21.11 C ATOM 828 C ASP A 56 2.494 -9.320 2.043 1.00 41.35 C ATOM 829 O ASP A 56 3.717 -9.430 1.948 1.00 41.13 O ATOM 830 CB ASP A 56 1.333 -11.553 1.730 1.00 44.50 C ATOM 831 CG ASP A 56 0.597 -11.525 3.057 1.00 11.04 C ATOM 832 OD1 ASP A 56 -0.650 -11.462 3.042 1.00 14.14 O ATOM 833 OD2 ASP A 56 1.257 -11.570 4.113 1.00 32.14 O ATOM 0 H ASP A 56 1.441 -9.768 -0.926 1.00 42.11 H new ATOM 0 HA ASP A 56 0.591 -9.622 1.117 1.00 21.11 H new ATOM 0 HB2 ASP A 56 0.770 -12.158 1.019 1.00 44.50 H new ATOM 0 HB3 ASP A 56 2.300 -12.037 1.865 1.00 44.50 H new ATOM 838 N GLY A 57 1.918 -8.492 2.918 1.00 13.00 N ATOM 839 CA GLY A 57 2.727 -7.651 3.802 1.00 63.53 C ATOM 840 C GLY A 57 3.461 -6.555 3.042 1.00 53.15 C ATOM 841 O GLY A 57 4.626 -6.256 3.319 1.00 11.30 O ATOM 0 H GLY A 57 0.910 -8.387 3.033 1.00 13.00 H new ATOM 0 HA2 GLY A 57 2.085 -7.199 4.558 1.00 63.53 H new ATOM 0 HA3 GLY A 57 3.451 -8.272 4.329 1.00 63.53 H new ATOM 845 N ASP A 58 2.769 -5.968 2.072 1.00 0.31 N ATOM 846 CA ASP A 58 3.342 -4.948 1.191 1.00 53.51 C ATOM 847 C ASP A 58 2.811 -3.541 1.518 1.00 74.03 C ATOM 848 O ASP A 58 1.806 -3.387 2.216 1.00 63.42 O ATOM 849 CB ASP A 58 3.022 -5.315 -0.263 1.00 14.53 C ATOM 850 CG ASP A 58 3.374 -4.214 -1.247 1.00 23.22 C ATOM 851 OD1 ASP A 58 4.571 -4.048 -1.543 1.00 42.24 O ATOM 852 OD2 ASP A 58 2.451 -3.502 -1.696 1.00 44.24 O ATOM 0 H ASP A 58 1.793 -6.184 1.871 1.00 0.31 H new ATOM 0 HA ASP A 58 4.421 -4.923 1.344 1.00 53.51 H new ATOM 0 HB2 ASP A 58 3.566 -6.221 -0.531 1.00 14.53 H new ATOM 0 HB3 ASP A 58 1.960 -5.544 -0.348 1.00 14.53 H new ATOM 857 N ALA A 59 3.504 -2.525 1.005 1.00 12.32 N ATOM 858 CA ALA A 59 3.080 -1.131 1.134 1.00 24.03 C ATOM 859 C ALA A 59 3.586 -0.298 -0.052 1.00 12.12 C ATOM 860 O ALA A 59 4.526 0.486 0.079 1.00 72.21 O ATOM 861 CB ALA A 59 3.558 -0.536 2.452 1.00 41.53 C ATOM 0 H ALA A 59 4.375 -2.645 0.488 1.00 12.32 H new ATOM 0 HA ALA A 59 1.990 -1.108 1.129 1.00 24.03 H new ATOM 0 HB1 ALA A 59 3.230 0.501 2.523 1.00 41.53 H new ATOM 0 HB2 ALA A 59 3.140 -1.107 3.282 1.00 41.53 H new ATOM 0 HB3 ALA A 59 4.646 -0.576 2.496 1.00 41.53 H new ATOM 867 N VAL A 60 2.984 -0.504 -1.220 1.00 30.15 N ATOM 868 CA VAL A 60 3.379 0.222 -2.430 1.00 21.20 C ATOM 869 C VAL A 60 2.709 1.613 -2.516 1.00 31.33 C ATOM 870 O VAL A 60 1.562 1.758 -2.956 1.00 71.54 O ATOM 871 CB VAL A 60 3.087 -0.612 -3.711 1.00 54.11 C ATOM 872 CG1 VAL A 60 1.605 -0.992 -3.816 1.00 14.24 C ATOM 873 CG2 VAL A 60 3.558 0.133 -4.963 1.00 61.15 C ATOM 0 H VAL A 60 2.221 -1.167 -1.357 1.00 30.15 H new ATOM 0 HA VAL A 60 4.455 0.381 -2.366 1.00 21.20 H new ATOM 0 HB VAL A 60 3.652 -1.541 -3.635 1.00 54.11 H new ATOM 0 HG11 VAL A 60 1.442 -1.573 -4.723 1.00 14.24 H new ATOM 0 HG12 VAL A 60 1.319 -1.586 -2.948 1.00 14.24 H new ATOM 0 HG13 VAL A 60 0.999 -0.087 -3.851 1.00 14.24 H new ATOM 0 HG21 VAL A 60 3.344 -0.468 -5.846 1.00 61.15 H new ATOM 0 HG22 VAL A 60 3.035 1.086 -5.038 1.00 61.15 H new ATOM 0 HG23 VAL A 60 4.631 0.312 -4.898 1.00 61.15 H new ATOM 883 N GLU A 61 3.427 2.641 -2.071 1.00 2.45 N ATOM 884 CA GLU A 61 2.928 4.017 -2.149 1.00 45.20 C ATOM 885 C GLU A 61 2.964 4.566 -3.588 1.00 63.34 C ATOM 886 O GLU A 61 4.025 4.913 -4.113 1.00 15.01 O ATOM 887 CB GLU A 61 3.724 4.947 -1.216 1.00 35.12 C ATOM 888 CG GLU A 61 3.192 5.022 0.214 1.00 24.13 C ATOM 889 CD GLU A 61 3.246 3.701 0.968 1.00 43.22 C ATOM 890 OE1 GLU A 61 4.348 3.295 1.384 1.00 11.53 O ATOM 891 OE2 GLU A 61 2.174 3.090 1.181 1.00 21.23 O ATOM 0 H GLU A 61 4.353 2.551 -1.654 1.00 2.45 H new ATOM 0 HA GLU A 61 1.888 3.991 -1.825 1.00 45.20 H new ATOM 0 HB2 GLU A 61 4.760 4.610 -1.187 1.00 35.12 H new ATOM 0 HB3 GLU A 61 3.727 5.951 -1.641 1.00 35.12 H new ATOM 0 HG2 GLU A 61 3.767 5.766 0.765 1.00 24.13 H new ATOM 0 HG3 GLU A 61 2.160 5.371 0.188 1.00 24.13 H new ATOM 898 N PHE A 62 1.793 4.619 -4.221 1.00 62.30 N ATOM 899 CA PHE A 62 1.625 5.306 -5.511 1.00 22.14 C ATOM 900 C PHE A 62 1.318 6.793 -5.291 1.00 14.03 C ATOM 901 O PHE A 62 0.484 7.139 -4.451 1.00 72.31 O ATOM 902 CB PHE A 62 0.492 4.661 -6.332 1.00 42.43 C ATOM 903 CG PHE A 62 0.948 3.552 -7.251 1.00 13.33 C ATOM 904 CD1 PHE A 62 1.063 2.244 -6.799 1.00 52.54 C ATOM 905 CD2 PHE A 62 1.261 3.827 -8.577 1.00 45.14 C ATOM 906 CE1 PHE A 62 1.481 1.236 -7.653 1.00 12.45 C ATOM 907 CE2 PHE A 62 1.677 2.825 -9.430 1.00 54.12 C ATOM 908 CZ PHE A 62 1.788 1.530 -8.970 1.00 11.31 C ATOM 0 H PHE A 62 0.938 4.193 -3.863 1.00 62.30 H new ATOM 0 HA PHE A 62 2.559 5.211 -6.065 1.00 22.14 H new ATOM 0 HB2 PHE A 62 -0.258 4.265 -5.647 1.00 42.43 H new ATOM 0 HB3 PHE A 62 0.004 5.433 -6.927 1.00 42.43 H new ATOM 0 HD1 PHE A 62 0.824 2.010 -5.772 1.00 52.54 H new ATOM 0 HD2 PHE A 62 1.177 4.839 -8.945 1.00 45.14 H new ATOM 0 HE1 PHE A 62 1.567 0.222 -7.291 1.00 12.45 H new ATOM 0 HE2 PHE A 62 1.916 3.055 -10.458 1.00 54.12 H new ATOM 0 HZ PHE A 62 2.114 0.746 -9.637 1.00 11.31 H new ATOM 918 N LEU A 63 1.992 7.669 -6.038 1.00 4.01 N ATOM 919 CA LEU A 63 1.778 9.116 -5.902 1.00 51.44 C ATOM 920 C LEU A 63 1.974 9.873 -7.233 1.00 72.11 C ATOM 921 O LEU A 63 2.958 9.665 -7.945 1.00 41.02 O ATOM 922 CB LEU A 63 2.703 9.703 -4.814 1.00 34.00 C ATOM 923 CG LEU A 63 4.226 9.621 -5.076 1.00 63.02 C ATOM 924 CD1 LEU A 63 4.989 10.493 -4.082 1.00 5.44 C ATOM 925 CD2 LEU A 63 4.725 8.176 -5.001 1.00 54.25 C ATOM 0 H LEU A 63 2.686 7.408 -6.739 1.00 4.01 H new ATOM 0 HA LEU A 63 0.739 9.252 -5.604 1.00 51.44 H new ATOM 0 HB2 LEU A 63 2.438 10.751 -4.672 1.00 34.00 H new ATOM 0 HB3 LEU A 63 2.491 9.191 -3.875 1.00 34.00 H new ATOM 0 HG LEU A 63 4.410 9.992 -6.084 1.00 63.02 H new ATOM 0 HD11 LEU A 63 6.058 10.422 -4.282 1.00 5.44 H new ATOM 0 HD12 LEU A 63 4.668 11.529 -4.186 1.00 5.44 H new ATOM 0 HD13 LEU A 63 4.786 10.151 -3.067 1.00 5.44 H new ATOM 0 HD21 LEU A 63 5.798 8.151 -5.189 1.00 54.25 H new ATOM 0 HD22 LEU A 63 4.521 7.772 -4.009 1.00 54.25 H new ATOM 0 HD23 LEU A 63 4.211 7.574 -5.751 1.00 54.25 H new ATOM 937 N TYR A 64 0.990 10.718 -7.569 1.00 44.31 N ATOM 938 CA TYR A 64 1.074 11.675 -8.693 1.00 30.33 C ATOM 939 C TYR A 64 0.968 11.024 -10.090 1.00 33.45 C ATOM 940 O TYR A 64 0.455 11.642 -11.023 1.00 42.03 O ATOM 941 CB TYR A 64 2.351 12.529 -8.591 1.00 43.50 C ATOM 942 CG TYR A 64 2.341 13.490 -7.414 1.00 22.22 C ATOM 943 CD1 TYR A 64 1.667 14.705 -7.496 1.00 11.31 C ATOM 944 CD2 TYR A 64 2.991 13.182 -6.223 1.00 34.15 C ATOM 945 CE1 TYR A 64 1.645 15.583 -6.431 1.00 43.31 C ATOM 946 CE2 TYR A 64 2.971 14.056 -5.151 1.00 71.45 C ATOM 947 CZ TYR A 64 2.295 15.255 -5.261 1.00 41.14 C ATOM 948 OH TYR A 64 2.272 16.132 -4.196 1.00 62.12 O ATOM 0 H TYR A 64 0.103 10.761 -7.067 1.00 44.31 H new ATOM 0 HA TYR A 64 0.197 12.315 -8.596 1.00 30.33 H new ATOM 0 HB2 TYR A 64 3.215 11.869 -8.505 1.00 43.50 H new ATOM 0 HB3 TYR A 64 2.474 13.097 -9.513 1.00 43.50 H new ATOM 0 HD1 TYR A 64 1.152 14.965 -8.409 1.00 11.31 H new ATOM 0 HD2 TYR A 64 3.520 12.245 -6.134 1.00 34.15 H new ATOM 0 HE1 TYR A 64 1.120 16.523 -6.514 1.00 43.31 H new ATOM 0 HE2 TYR A 64 3.481 13.802 -4.234 1.00 71.45 H new ATOM 0 HH TYR A 64 2.776 15.751 -3.447 1.00 62.12 H new ATOM 958 N PHE A 65 1.439 9.790 -10.241 1.00 63.10 N ATOM 959 CA PHE A 65 1.406 9.105 -11.546 1.00 33.33 C ATOM 960 C PHE A 65 0.053 8.418 -11.814 1.00 15.12 C ATOM 961 O PHE A 65 0.000 7.232 -12.150 1.00 43.41 O ATOM 962 CB PHE A 65 2.550 8.086 -11.639 1.00 0.12 C ATOM 963 CG PHE A 65 3.909 8.726 -11.781 1.00 13.51 C ATOM 964 CD1 PHE A 65 4.599 9.192 -10.670 1.00 55.12 C ATOM 965 CD2 PHE A 65 4.494 8.868 -13.034 1.00 23.15 C ATOM 966 CE1 PHE A 65 5.839 9.784 -10.806 1.00 63.21 C ATOM 967 CE2 PHE A 65 5.734 9.460 -13.174 1.00 21.20 C ATOM 968 CZ PHE A 65 6.408 9.918 -12.058 1.00 34.14 C ATOM 0 H PHE A 65 1.847 9.239 -9.486 1.00 63.10 H new ATOM 0 HA PHE A 65 1.536 9.867 -12.315 1.00 33.33 H new ATOM 0 HB2 PHE A 65 2.543 7.459 -10.747 1.00 0.12 H new ATOM 0 HB3 PHE A 65 2.374 7.430 -12.491 1.00 0.12 H new ATOM 0 HD1 PHE A 65 4.161 9.090 -9.688 1.00 55.12 H new ATOM 0 HD2 PHE A 65 3.972 8.511 -13.909 1.00 23.15 H new ATOM 0 HE1 PHE A 65 6.364 10.143 -9.933 1.00 63.21 H new ATOM 0 HE2 PHE A 65 6.176 9.565 -14.154 1.00 21.20 H new ATOM 0 HZ PHE A 65 7.378 10.380 -12.164 1.00 34.14 H new ATOM 978 N MET A 66 -1.033 9.178 -11.696 1.00 55.02 N ATOM 979 CA MET A 66 -2.382 8.656 -11.956 1.00 51.44 C ATOM 980 C MET A 66 -3.340 9.796 -12.356 1.00 50.51 C ATOM 981 O MET A 66 -3.287 10.890 -11.787 1.00 61.14 O ATOM 982 CB MET A 66 -2.913 7.911 -10.716 1.00 22.51 C ATOM 983 CG MET A 66 -4.151 7.056 -10.980 1.00 61.53 C ATOM 984 SD MET A 66 -5.617 8.027 -11.384 1.00 34.32 S ATOM 985 CE MET A 66 -6.812 6.733 -11.724 1.00 11.11 C ATOM 0 H MET A 66 -1.010 10.160 -11.422 1.00 55.02 H new ATOM 0 HA MET A 66 -2.327 7.953 -12.787 1.00 51.44 H new ATOM 0 HB2 MET A 66 -2.122 7.273 -10.323 1.00 22.51 H new ATOM 0 HB3 MET A 66 -3.148 8.641 -9.941 1.00 22.51 H new ATOM 0 HG2 MET A 66 -3.941 6.369 -11.800 1.00 61.53 H new ATOM 0 HG3 MET A 66 -4.358 6.448 -10.100 1.00 61.53 H new ATOM 0 HE1 MET A 66 -7.769 7.182 -11.989 1.00 11.11 H new ATOM 0 HE2 MET A 66 -6.458 6.119 -12.552 1.00 11.11 H new ATOM 0 HE3 MET A 66 -6.936 6.110 -10.838 1.00 11.11 H new ATOM 995 N GLY A 67 -4.200 9.541 -13.341 1.00 54.22 N ATOM 996 CA GLY A 67 -5.155 10.552 -13.794 1.00 54.43 C ATOM 997 C GLY A 67 -5.972 10.114 -15.010 1.00 20.32 C ATOM 998 O GLY A 67 -7.095 10.577 -15.208 1.00 61.52 O ATOM 0 H GLY A 67 -4.256 8.651 -13.837 1.00 54.22 H new ATOM 0 HA2 GLY A 67 -5.835 10.791 -12.976 1.00 54.43 H new ATOM 0 HA3 GLY A 67 -4.616 11.467 -14.038 1.00 54.43 H new ATOM 1002 N GLY A 68 -5.405 9.223 -15.824 1.00 21.04 N ATOM 1003 CA GLY A 68 -6.092 8.742 -17.022 1.00 24.51 C ATOM 1004 C GLY A 68 -7.365 7.949 -16.720 1.00 30.21 C ATOM 1005 O GLY A 68 -7.331 6.945 -16.002 1.00 25.01 O ATOM 0 H GLY A 68 -4.479 8.822 -15.677 1.00 21.04 H new ATOM 0 HA2 GLY A 68 -6.346 9.594 -17.652 1.00 24.51 H new ATOM 0 HA3 GLY A 68 -5.410 8.114 -17.595 1.00 24.51 H new ATOM 1009 N GLY A 69 -8.489 8.401 -17.270 1.00 13.12 N ATOM 1010 CA GLY A 69 -9.760 7.710 -17.078 1.00 51.31 C ATOM 1011 C GLY A 69 -10.933 8.651 -16.821 1.00 42.04 C ATOM 1012 O GLY A 69 -12.085 8.284 -17.055 1.00 14.44 O ATOM 0 H GLY A 69 -8.545 9.239 -17.849 1.00 13.12 H new ATOM 0 HA2 GLY A 69 -9.974 7.108 -17.961 1.00 51.31 H new ATOM 0 HA3 GLY A 69 -9.667 7.021 -16.238 1.00 51.31 H new ATOM 1016 N LYS A 70 -10.630 9.864 -16.343 1.00 61.42 N ATOM 1017 CA LYS A 70 -11.651 10.870 -15.997 1.00 14.13 C ATOM 1018 C LYS A 70 -12.492 10.453 -14.777 1.00 41.21 C ATOM 1019 O LYS A 70 -12.787 9.273 -14.571 1.00 74.22 O ATOM 1020 CB LYS A 70 -12.582 11.164 -17.191 1.00 41.04 C ATOM 1021 CG LYS A 70 -13.731 12.119 -16.856 1.00 21.52 C ATOM 1022 CD LYS A 70 -14.703 12.287 -18.021 1.00 53.14 C ATOM 1023 CE LYS A 70 -15.898 13.157 -17.637 1.00 75.31 C ATOM 1024 NZ LYS A 70 -16.696 12.567 -16.523 1.00 4.21 N ATOM 0 H LYS A 70 -9.673 10.179 -16.184 1.00 61.42 H new ATOM 0 HA LYS A 70 -11.106 11.778 -15.739 1.00 14.13 H new ATOM 0 HB2 LYS A 70 -11.993 11.590 -18.003 1.00 41.04 H new ATOM 0 HB3 LYS A 70 -12.997 10.225 -17.556 1.00 41.04 H new ATOM 0 HG2 LYS A 70 -14.271 11.744 -15.987 1.00 21.52 H new ATOM 0 HG3 LYS A 70 -13.324 13.092 -16.582 1.00 21.52 H new ATOM 0 HD2 LYS A 70 -14.183 12.736 -18.867 1.00 53.14 H new ATOM 0 HD3 LYS A 70 -15.055 11.308 -18.346 1.00 53.14 H new ATOM 0 HE2 LYS A 70 -15.545 14.146 -17.344 1.00 75.31 H new ATOM 0 HE3 LYS A 70 -16.540 13.293 -18.508 1.00 75.31 H new ATOM 0 HZ1 LYS A 70 -17.605 13.067 -16.444 1.00 4.21 H new ATOM 0 HZ2 LYS A 70 -16.870 11.560 -16.716 1.00 4.21 H new ATOM 0 HZ3 LYS A 70 -16.170 12.663 -15.631 1.00 4.21 H new ATOM 1038 N LEU A 71 -12.874 11.434 -13.964 1.00 60.43 N ATOM 1039 CA LEU A 71 -13.770 11.194 -12.832 1.00 52.12 C ATOM 1040 C LEU A 71 -15.239 11.246 -13.268 1.00 21.35 C ATOM 1041 O LEU A 71 -15.652 12.137 -14.019 1.00 21.44 O ATOM 1042 CB LEU A 71 -13.510 12.202 -11.703 1.00 13.23 C ATOM 1043 CG LEU A 71 -12.247 11.935 -10.862 1.00 52.22 C ATOM 1044 CD1 LEU A 71 -12.297 10.537 -10.246 1.00 11.24 C ATOM 1045 CD2 LEU A 71 -10.979 12.116 -11.696 1.00 63.22 C ATOM 0 H LEU A 71 -12.578 12.405 -14.067 1.00 60.43 H new ATOM 0 HA LEU A 71 -13.563 10.193 -12.454 1.00 52.12 H new ATOM 0 HB2 LEU A 71 -13.433 13.198 -12.138 1.00 13.23 H new ATOM 0 HB3 LEU A 71 -14.374 12.210 -11.039 1.00 13.23 H new ATOM 0 HG LEU A 71 -12.220 12.666 -10.054 1.00 52.22 H new ATOM 0 HD11 LEU A 71 -11.397 10.367 -9.656 1.00 11.24 H new ATOM 0 HD12 LEU A 71 -13.173 10.454 -9.603 1.00 11.24 H new ATOM 0 HD13 LEU A 71 -12.357 9.792 -11.039 1.00 11.24 H new ATOM 0 HD21 LEU A 71 -10.104 11.921 -11.075 1.00 63.22 H new ATOM 0 HD22 LEU A 71 -10.992 11.419 -12.534 1.00 63.22 H new ATOM 0 HD23 LEU A 71 -10.935 13.137 -12.074 1.00 63.22 H new ATOM 1057 N GLU A 72 -16.014 10.272 -12.804 1.00 62.43 N ATOM 1058 CA GLU A 72 -17.441 10.178 -13.125 1.00 64.02 C ATOM 1059 C GLU A 72 -18.217 11.434 -12.692 1.00 63.32 C ATOM 1060 O GLU A 72 -18.946 12.032 -13.486 1.00 72.42 O ATOM 1061 CB GLU A 72 -18.040 8.934 -12.456 1.00 25.43 C ATOM 1062 CG GLU A 72 -17.455 7.618 -12.962 1.00 31.00 C ATOM 1063 CD GLU A 72 -17.947 6.406 -12.187 1.00 24.22 C ATOM 1064 OE1 GLU A 72 -19.118 6.401 -11.752 1.00 63.44 O ATOM 1065 OE2 GLU A 72 -17.165 5.446 -12.009 1.00 30.25 O ATOM 0 H GLU A 72 -15.676 9.526 -12.196 1.00 62.43 H new ATOM 0 HA GLU A 72 -17.532 10.097 -14.208 1.00 64.02 H new ATOM 0 HB2 GLU A 72 -17.882 9.001 -11.380 1.00 25.43 H new ATOM 0 HB3 GLU A 72 -19.118 8.928 -12.620 1.00 25.43 H new ATOM 0 HG2 GLU A 72 -17.710 7.496 -14.015 1.00 31.00 H new ATOM 0 HG3 GLU A 72 -16.368 7.664 -12.900 1.00 31.00 H new ATOM 1072 N HIS A 73 -18.067 11.829 -11.431 1.00 4.25 N ATOM 1073 CA HIS A 73 -18.799 12.984 -10.898 1.00 43.43 C ATOM 1074 C HIS A 73 -17.846 14.097 -10.419 1.00 24.34 C ATOM 1075 O HIS A 73 -17.648 15.094 -11.118 1.00 41.34 O ATOM 1076 CB HIS A 73 -19.725 12.541 -9.758 1.00 51.31 C ATOM 1077 CG HIS A 73 -20.671 11.444 -10.147 1.00 35.44 C ATOM 1078 ND1 HIS A 73 -21.933 11.672 -10.653 1.00 34.21 N ATOM 1079 CD2 HIS A 73 -20.525 10.099 -10.110 1.00 51.11 C ATOM 1080 CE1 HIS A 73 -22.518 10.519 -10.912 1.00 64.21 C ATOM 1081 NE2 HIS A 73 -21.686 9.551 -10.592 1.00 45.01 N ATOM 0 H HIS A 73 -17.450 11.372 -10.759 1.00 4.25 H new ATOM 0 HA HIS A 73 -19.400 13.398 -11.707 1.00 43.43 H new ATOM 0 HB2 HIS A 73 -19.118 12.205 -8.917 1.00 51.31 H new ATOM 0 HB3 HIS A 73 -20.300 13.400 -9.413 1.00 51.31 H new ATOM 0 HD2 HIS A 73 -19.656 9.558 -9.765 1.00 51.11 H new ATOM 0 HE1 HIS A 73 -23.511 10.391 -11.318 1.00 64.21 H new ATOM 0 HE2 HIS A 73 -21.874 8.553 -10.687 1.00 45.01 H new ATOM 1090 N HIS A 74 -17.247 13.918 -9.235 1.00 45.54 N ATOM 1091 CA HIS A 74 -16.404 14.962 -8.627 1.00 21.31 C ATOM 1092 C HIS A 74 -15.658 14.449 -7.383 1.00 52.20 C ATOM 1093 O HIS A 74 -16.135 13.551 -6.691 1.00 45.31 O ATOM 1094 CB HIS A 74 -17.264 16.178 -8.234 1.00 43.04 C ATOM 1095 CG HIS A 74 -18.271 15.892 -7.155 1.00 5.25 C ATOM 1096 ND1 HIS A 74 -18.319 16.579 -5.960 1.00 5.53 N ATOM 1097 CD2 HIS A 74 -19.278 14.988 -7.099 1.00 64.12 C ATOM 1098 CE1 HIS A 74 -19.300 16.105 -5.220 1.00 42.45 C ATOM 1099 NE2 HIS A 74 -19.900 15.142 -5.887 1.00 60.54 N ATOM 0 H HIS A 74 -17.328 13.066 -8.680 1.00 45.54 H new ATOM 0 HA HIS A 74 -15.664 15.252 -9.373 1.00 21.31 H new ATOM 0 HB2 HIS A 74 -16.608 16.982 -7.900 1.00 43.04 H new ATOM 0 HB3 HIS A 74 -17.788 16.541 -9.118 1.00 43.04 H new ATOM 0 HD2 HIS A 74 -19.542 14.277 -7.868 1.00 64.12 H new ATOM 0 HE1 HIS A 74 -19.567 16.449 -4.232 1.00 42.45 H new ATOM 0 HE2 HIS A 74 -20.698 14.599 -5.556 1.00 60.54 H new ATOM 1108 N HIS A 75 -14.493 15.031 -7.099 1.00 45.31 N ATOM 1109 CA HIS A 75 -13.759 14.731 -5.861 1.00 22.43 C ATOM 1110 C HIS A 75 -14.217 15.642 -4.714 1.00 25.15 C ATOM 1111 O HIS A 75 -14.674 15.163 -3.672 1.00 60.20 O ATOM 1112 CB HIS A 75 -12.247 14.899 -6.062 1.00 52.11 C ATOM 1113 CG HIS A 75 -11.606 13.800 -6.849 1.00 72.42 C ATOM 1114 ND1 HIS A 75 -11.579 12.492 -6.420 1.00 64.43 N ATOM 1115 CD2 HIS A 75 -10.943 13.820 -8.028 1.00 54.43 C ATOM 1116 CE1 HIS A 75 -10.926 11.758 -7.292 1.00 43.13 C ATOM 1117 NE2 HIS A 75 -10.528 12.534 -8.278 1.00 52.21 N ATOM 0 H HIS A 75 -14.035 15.712 -7.705 1.00 45.31 H new ATOM 0 HA HIS A 75 -13.974 13.694 -5.603 1.00 22.43 H new ATOM 0 HB2 HIS A 75 -12.062 15.847 -6.567 1.00 52.11 H new ATOM 0 HB3 HIS A 75 -11.767 14.959 -5.085 1.00 52.11 H new ATOM 0 HD1 HIS A 75 -12.001 12.146 -5.558 1.00 64.43 H new ATOM 0 HD2 HIS A 75 -10.772 14.683 -8.654 1.00 54.43 H new ATOM 0 HE1 HIS A 75 -10.746 10.696 -7.213 1.00 43.13 H new ATOM 1126 N HIS A 76 -14.082 16.957 -4.920 1.00 43.23 N ATOM 1127 CA HIS A 76 -14.403 17.958 -3.894 1.00 5.25 C ATOM 1128 C HIS A 76 -13.424 17.866 -2.712 1.00 5.12 C ATOM 1129 O HIS A 76 -13.515 16.958 -1.887 1.00 14.11 O ATOM 1130 CB HIS A 76 -15.856 17.804 -3.418 1.00 61.01 C ATOM 1131 CG HIS A 76 -16.235 18.747 -2.316 1.00 25.22 C ATOM 1132 ND1 HIS A 76 -16.411 18.345 -1.009 1.00 65.05 N ATOM 1133 CD2 HIS A 76 -16.479 20.079 -2.332 1.00 61.12 C ATOM 1134 CE1 HIS A 76 -16.745 19.385 -0.270 1.00 14.24 C ATOM 1135 NE2 HIS A 76 -16.791 20.447 -1.048 1.00 5.13 N ATOM 0 H HIS A 76 -13.749 17.357 -5.797 1.00 43.23 H new ATOM 0 HA HIS A 76 -14.297 18.947 -4.341 1.00 5.25 H new ATOM 0 HB2 HIS A 76 -16.524 17.962 -4.264 1.00 61.01 H new ATOM 0 HB3 HIS A 76 -16.010 16.780 -3.077 1.00 61.01 H new ATOM 0 HD2 HIS A 76 -16.436 20.729 -3.193 1.00 61.12 H new ATOM 0 HE1 HIS A 76 -16.946 19.369 0.791 1.00 14.24 H new ATOM 0 HE2 HIS A 76 -17.022 21.393 -0.744 1.00 5.13 H new ATOM 1144 N HIS A 77 -12.487 18.809 -2.637 1.00 12.11 N ATOM 1145 CA HIS A 77 -11.460 18.794 -1.589 1.00 53.32 C ATOM 1146 C HIS A 77 -10.928 20.206 -1.285 1.00 23.24 C ATOM 1147 O HIS A 77 -10.600 20.970 -2.193 1.00 44.40 O ATOM 1148 CB HIS A 77 -10.296 17.886 -2.014 1.00 64.21 C ATOM 1149 CG HIS A 77 -9.223 17.737 -0.973 1.00 1.32 C ATOM 1150 ND1 HIS A 77 -8.267 18.701 -0.726 1.00 62.23 N ATOM 1151 CD2 HIS A 77 -8.952 16.722 -0.116 1.00 73.03 C ATOM 1152 CE1 HIS A 77 -7.458 18.285 0.227 1.00 60.21 C ATOM 1153 NE2 HIS A 77 -7.847 17.089 0.617 1.00 72.41 N ATOM 0 H HIS A 77 -12.415 19.593 -3.286 1.00 12.11 H new ATOM 0 HA HIS A 77 -11.922 18.409 -0.680 1.00 53.32 H new ATOM 0 HB2 HIS A 77 -10.689 16.899 -2.259 1.00 64.21 H new ATOM 0 HB3 HIS A 77 -9.851 18.286 -2.925 1.00 64.21 H new ATOM 0 HD1 HIS A 77 -8.197 19.598 -1.207 1.00 62.23 H new ATOM 0 HD2 HIS A 77 -9.502 15.797 -0.025 1.00 73.03 H new ATOM 0 HE1 HIS A 77 -6.616 18.834 0.622 1.00 60.21 H new ATOM 1162 N HIS A 78 -10.843 20.541 0.001 1.00 61.34 N ATOM 1163 CA HIS A 78 -10.207 21.793 0.436 1.00 44.34 C ATOM 1164 C HIS A 78 -8.687 21.604 0.619 1.00 43.31 C ATOM 1165 O HIS A 78 -8.238 21.396 1.770 1.00 36.71 O ATOM 1166 CB HIS A 78 -10.842 22.289 1.745 1.00 20.13 C ATOM 1167 CG HIS A 78 -12.275 22.700 1.610 1.00 53.52 C ATOM 1168 ND1 HIS A 78 -13.298 22.109 2.315 1.00 33.42 N ATOM 1169 CD2 HIS A 78 -12.851 23.671 0.867 1.00 44.33 C ATOM 1170 CE1 HIS A 78 -14.436 22.694 2.013 1.00 40.53 C ATOM 1171 NE2 HIS A 78 -14.196 23.647 1.138 1.00 3.32 N ATOM 1172 OXT HIS A 78 -7.952 21.638 -0.394 1.00 36.71 O ATOM 0 H HIS A 78 -11.205 19.967 0.763 1.00 61.34 H new ATOM 0 HA HIS A 78 -10.368 22.542 -0.339 1.00 44.34 H new ATOM 0 HB2 HIS A 78 -10.770 21.500 2.493 1.00 20.13 H new ATOM 0 HB3 HIS A 78 -10.266 23.136 2.118 1.00 20.13 H new ATOM 0 HD2 HIS A 78 -12.347 24.341 0.187 1.00 44.33 H new ATOM 0 HE1 HIS A 78 -15.404 22.436 2.415 1.00 40.53 H new ATOM 0 HE2 HIS A 78 -14.895 24.266 0.728 1.00 3.32 H new TER 1181 HIS A 78