USER MOD reduce.3.24.130724 H: found=0, std=0, add=949, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 943 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 100 SER OG : rot -140:sc= 0 USER MOD Set 1.2: A 105 TYR OH : rot 180:sc= 0 USER MOD Set 1.3: A 124 ASN : amide:sc= -0.0803 K(o=-0.08,f=-2!) USER MOD Set 2.1: A 31 HIS : no HD1:sc= -1.29 K(o=-1.3,f=-0.33) USER MOD Set 2.2: A 46 SER OG : rot 180:sc=-0.000499 USER MOD Single : A 1 GLY N :NH3+ -120:sc= 0.0692 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot -56:sc= 0.943 USER MOD Single : A 8 SER OG : rot 47:sc= 1.09 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 CYS SG : rot -7:sc= -0.206 USER MOD Single : A 13 MET CE :methyl -110:sc= -1.47 (180deg=-6.86!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -3.46! K(o=-3.5!,f=-0.36) USER MOD Single : A 35 LYS NZ :NH3+ 165:sc= -0.0102 (180deg=-0.157) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.55 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 117:sc= 0.00545 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= -1.44 K(o=-1.4,f=-2.1) USER MOD Single : A 59 THR OG1 : rot 175:sc= 1.79 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 50:sc= 0.923 USER MOD Single : A 70 LYS NZ :NH3+ -154:sc= 0.0371 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 97:sc= 1.56 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 150:sc= -0.566 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 88 HIS : no HD1:sc= -0.0622 X(o=-0.062,f=-0.21) USER MOD Single : A 90 HIS : no HD1:sc= -0.215 X(o=-0.22,f=-0.66) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= -0.165 K(o=-0.16,f=-4.4!) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 MET CE :methyl -163:sc= -0.0575 (180deg=-0.613) USER MOD Single : A 112 SER OG : rot 120:sc= -1.14 USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot -32:sc= 0.137 USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot 180:sc= -0.316 USER MOD Single : A 119 MET CE :methyl -154:sc= -1.59! (180deg=-1.87!) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.365 -14.828 3.115 1.00 74.13 N ATOM 2 CA GLY A 1 -2.422 -13.965 3.609 1.00 34.14 C ATOM 3 C GLY A 1 -2.323 -12.555 3.062 1.00 1.51 C ATOM 4 O GLY A 1 -1.464 -12.245 2.236 1.00 72.31 O ATOM 0 H1 GLY A 1 -1.783 -15.628 2.599 1.00 74.13 H new ATOM 0 H2 GLY A 1 -0.747 -14.289 2.476 1.00 74.13 H new ATOM 0 H3 GLY A 1 -0.807 -15.186 3.916 1.00 74.13 H new ATOM 0 HA2 GLY A 1 -3.389 -14.389 3.339 1.00 34.14 H new ATOM 0 HA3 GLY A 1 -2.381 -13.933 4.698 1.00 34.14 H new ATOM 8 N PRO A 2 -3.222 -11.673 3.524 1.00 21.03 N ATOM 9 CA PRO A 2 -3.254 -10.274 3.087 1.00 2.31 C ATOM 10 C PRO A 2 -2.060 -9.478 3.604 1.00 61.30 C ATOM 11 O PRO A 2 -1.402 -8.764 2.847 1.00 14.21 O ATOM 12 CB PRO A 2 -4.555 -9.742 3.695 1.00 23.42 C ATOM 13 CG PRO A 2 -4.804 -10.614 4.877 1.00 33.11 C ATOM 14 CD PRO A 2 -4.275 -11.973 4.509 1.00 34.03 C ATOM 0 HA PRO A 2 -3.207 -10.185 2.002 1.00 2.31 H new ATOM 0 HB2 PRO A 2 -4.457 -8.697 3.988 1.00 23.42 H new ATOM 0 HB3 PRO A 2 -5.377 -9.797 2.982 1.00 23.42 H new ATOM 0 HG2 PRO A 2 -4.299 -10.225 5.762 1.00 33.11 H new ATOM 0 HG3 PRO A 2 -5.868 -10.660 5.111 1.00 33.11 H new ATOM 0 HD2 PRO A 2 -3.876 -12.498 5.377 1.00 34.03 H new ATOM 0 HD3 PRO A 2 -5.054 -12.606 4.084 1.00 34.03 H new ATOM 22 N THR A 3 -1.786 -9.604 4.899 1.00 23.42 N ATOM 23 CA THR A 3 -0.672 -8.897 5.517 1.00 41.32 C ATOM 24 C THR A 3 0.358 -9.873 6.074 1.00 20.13 C ATOM 25 O THR A 3 0.012 -10.957 6.542 1.00 54.11 O ATOM 26 CB THR A 3 -1.154 -7.974 6.651 1.00 33.42 C ATOM 27 OG1 THR A 3 -1.846 -8.738 7.645 1.00 11.12 O ATOM 28 CG2 THR A 3 -2.070 -6.886 6.111 1.00 11.31 C ATOM 0 H THR A 3 -2.321 -10.190 5.540 1.00 23.42 H new ATOM 0 HA THR A 3 -0.210 -8.292 4.737 1.00 41.32 H new ATOM 0 HB THR A 3 -0.281 -7.501 7.100 1.00 33.42 H new ATOM 0 HG1 THR A 3 -2.148 -8.143 8.363 1.00 11.12 H new ATOM 0 HG21 THR A 3 -2.398 -6.246 6.931 1.00 11.31 H new ATOM 0 HG22 THR A 3 -1.531 -6.287 5.377 1.00 11.31 H new ATOM 0 HG23 THR A 3 -2.939 -7.344 5.638 1.00 11.31 H new ATOM 36 N GLY A 4 1.628 -9.481 6.020 1.00 1.33 N ATOM 37 CA GLY A 4 2.689 -10.332 6.524 1.00 1.34 C ATOM 38 C GLY A 4 3.112 -9.962 7.932 1.00 45.41 C ATOM 39 O GLY A 4 2.964 -10.755 8.862 1.00 60.11 O ATOM 0 H GLY A 4 1.940 -8.589 5.636 1.00 1.33 H new ATOM 0 HA2 GLY A 4 2.356 -11.370 6.509 1.00 1.34 H new ATOM 0 HA3 GLY A 4 3.551 -10.265 5.860 1.00 1.34 H new ATOM 43 N THR A 5 3.640 -8.752 8.091 1.00 12.54 N ATOM 44 CA THR A 5 4.088 -8.280 9.395 1.00 74.23 C ATOM 45 C THR A 5 4.737 -9.404 10.194 1.00 64.14 C ATOM 46 O THR A 5 4.498 -9.543 11.393 1.00 14.45 O ATOM 47 CB THR A 5 2.922 -7.692 10.210 1.00 71.41 C ATOM 48 OG1 THR A 5 3.402 -7.189 11.462 1.00 32.23 O ATOM 49 CG2 THR A 5 1.851 -8.744 10.458 1.00 53.45 C ATOM 0 H THR A 5 3.768 -8.082 7.333 1.00 12.54 H new ATOM 0 HA THR A 5 4.824 -7.497 9.212 1.00 74.23 H new ATOM 0 HB THR A 5 2.483 -6.876 9.636 1.00 71.41 H new ATOM 0 HG1 THR A 5 3.864 -7.905 11.946 1.00 32.23 H new ATOM 0 HG21 THR A 5 1.037 -8.306 11.036 1.00 53.45 H new ATOM 0 HG22 THR A 5 1.466 -9.103 9.504 1.00 53.45 H new ATOM 0 HG23 THR A 5 2.281 -9.578 11.013 1.00 53.45 H new ATOM 57 N GLY A 6 5.559 -10.204 9.522 1.00 24.13 N ATOM 58 CA GLY A 6 6.230 -11.306 10.188 1.00 71.40 C ATOM 59 C GLY A 6 7.548 -10.891 10.810 1.00 43.52 C ATOM 60 O GLY A 6 7.662 -9.801 11.370 1.00 52.21 O ATOM 0 H GLY A 6 5.772 -10.109 8.529 1.00 24.13 H new ATOM 0 HA2 GLY A 6 5.578 -11.710 10.962 1.00 71.40 H new ATOM 0 HA3 GLY A 6 6.407 -12.107 9.470 1.00 71.40 H new ATOM 64 N GLU A 7 8.547 -11.763 10.715 1.00 62.41 N ATOM 65 CA GLU A 7 9.863 -11.481 11.276 1.00 61.05 C ATOM 66 C GLU A 7 10.913 -11.377 10.173 1.00 62.33 C ATOM 67 O GLU A 7 10.957 -12.203 9.262 1.00 20.21 O ATOM 68 CB GLU A 7 10.261 -12.572 12.272 1.00 41.31 C ATOM 69 CG GLU A 7 10.709 -13.866 11.613 1.00 34.13 C ATOM 70 CD GLU A 7 10.748 -15.031 12.581 1.00 31.31 C ATOM 71 OE1 GLU A 7 11.304 -14.866 13.687 1.00 35.02 O1- ATOM 72 OE2 GLU A 7 10.221 -16.109 12.233 1.00 50.32 O ATOM 0 H GLU A 7 8.470 -12.670 10.255 1.00 62.41 H new ATOM 0 HA GLU A 7 9.811 -10.525 11.797 1.00 61.05 H new ATOM 0 HB2 GLU A 7 11.067 -12.198 12.904 1.00 41.31 H new ATOM 0 HB3 GLU A 7 9.414 -12.782 12.926 1.00 41.31 H new ATOM 0 HG2 GLU A 7 10.033 -14.104 10.792 1.00 34.13 H new ATOM 0 HG3 GLU A 7 11.699 -13.725 11.180 1.00 34.13 H new ATOM 79 N SER A 8 11.758 -10.354 10.264 1.00 11.13 N ATOM 80 CA SER A 8 12.805 -10.137 9.272 1.00 73.41 C ATOM 81 C SER A 8 14.182 -10.134 9.929 1.00 2.22 C ATOM 82 O SER A 8 14.647 -9.105 10.419 1.00 44.50 O ATOM 83 CB SER A 8 12.575 -8.815 8.537 1.00 62.10 C ATOM 84 OG SER A 8 12.658 -7.715 9.427 1.00 14.33 O ATOM 0 H SER A 8 11.738 -9.663 11.014 1.00 11.13 H new ATOM 0 HA SER A 8 12.766 -10.955 8.553 1.00 73.41 H new ATOM 0 HB2 SER A 8 13.315 -8.702 7.745 1.00 62.10 H new ATOM 0 HB3 SER A 8 11.596 -8.827 8.059 1.00 62.10 H new ATOM 0 HG SER A 8 13.456 -7.808 9.988 1.00 14.33 H new ATOM 90 N LYS A 9 14.829 -11.295 9.936 1.00 44.32 N ATOM 91 CA LYS A 9 16.154 -11.429 10.531 1.00 23.33 C ATOM 92 C LYS A 9 17.242 -11.327 9.466 1.00 33.34 C ATOM 93 O LYS A 9 18.325 -10.798 9.719 1.00 14.24 O ATOM 94 CB LYS A 9 16.272 -12.763 11.270 1.00 44.14 C ATOM 95 CG LYS A 9 15.548 -12.785 12.605 1.00 44.04 C ATOM 96 CD LYS A 9 16.496 -12.498 13.757 1.00 2.52 C ATOM 97 CE LYS A 9 16.231 -13.416 14.940 1.00 53.35 C ATOM 98 NZ LYS A 9 17.328 -13.358 15.945 1.00 32.34 N1+ ATOM 0 H LYS A 9 14.457 -12.157 9.536 1.00 44.32 H new ATOM 0 HA LYS A 9 16.289 -10.614 11.242 1.00 23.33 H new ATOM 0 HB2 LYS A 9 15.874 -13.556 10.637 1.00 44.14 H new ATOM 0 HB3 LYS A 9 17.326 -12.986 11.434 1.00 44.14 H new ATOM 0 HG2 LYS A 9 14.747 -12.045 12.598 1.00 44.04 H new ATOM 0 HG3 LYS A 9 15.081 -13.759 12.751 1.00 44.04 H new ATOM 0 HD2 LYS A 9 17.526 -12.623 13.422 1.00 2.52 H new ATOM 0 HD3 LYS A 9 16.386 -11.460 14.069 1.00 2.52 H new ATOM 0 HE2 LYS A 9 15.290 -13.136 15.413 1.00 53.35 H new ATOM 0 HE3 LYS A 9 16.117 -14.441 14.586 1.00 53.35 H new ATOM 0 HZ1 LYS A 9 17.109 -13.998 16.735 1.00 32.34 H new ATOM 0 HZ2 LYS A 9 18.222 -13.650 15.501 1.00 32.34 H new ATOM 0 HZ3 LYS A 9 17.420 -12.386 16.302 1.00 32.34 H new ATOM 112 N CYS A 10 16.946 -11.836 8.275 1.00 72.52 N ATOM 113 CA CYS A 10 17.899 -11.803 7.171 1.00 50.34 C ATOM 114 C CYS A 10 17.814 -10.478 6.420 1.00 44.02 C ATOM 115 O CYS A 10 16.828 -9.746 6.510 1.00 44.02 O ATOM 116 CB CYS A 10 17.639 -12.964 6.211 1.00 33.40 C ATOM 117 SG CYS A 10 18.782 -14.352 6.404 1.00 22.45 S ATOM 0 H CYS A 10 16.054 -12.276 8.049 1.00 72.52 H new ATOM 0 HA CYS A 10 18.902 -11.902 7.586 1.00 50.34 H new ATOM 0 HB2 CYS A 10 16.620 -13.323 6.359 1.00 33.40 H new ATOM 0 HB3 CYS A 10 17.701 -12.596 5.187 1.00 33.40 H new ATOM 0 HG CYS A 10 19.720 -14.028 7.243 1.00 22.45 H new ATOM 123 N PRO A 11 18.876 -10.157 5.664 1.00 41.21 N ATOM 124 CA PRO A 11 18.946 -8.918 4.885 1.00 32.44 C ATOM 125 C PRO A 11 17.981 -8.920 3.704 1.00 33.11 C ATOM 126 O PRO A 11 17.321 -7.918 3.427 1.00 40.40 O ATOM 127 CB PRO A 11 20.395 -8.892 4.391 1.00 52.53 C ATOM 128 CG PRO A 11 20.815 -10.322 4.373 1.00 50.33 C ATOM 129 CD PRO A 11 20.086 -10.981 5.512 1.00 12.12 C ATOM 0 HA PRO A 11 18.667 -8.047 5.478 1.00 32.44 H new ATOM 0 HB2 PRO A 11 20.467 -8.446 3.399 1.00 52.53 H new ATOM 0 HB3 PRO A 11 21.028 -8.302 5.053 1.00 52.53 H new ATOM 0 HG2 PRO A 11 20.561 -10.792 3.423 1.00 50.33 H new ATOM 0 HG3 PRO A 11 21.894 -10.414 4.495 1.00 50.33 H new ATOM 0 HD2 PRO A 11 19.840 -12.018 5.285 1.00 12.12 H new ATOM 0 HD3 PRO A 11 20.685 -10.987 6.423 1.00 12.12 H new ATOM 137 N LEU A 12 17.903 -10.050 3.011 1.00 24.44 N ATOM 138 CA LEU A 12 17.018 -10.182 1.860 1.00 13.33 C ATOM 139 C LEU A 12 15.949 -11.241 2.113 1.00 62.23 C ATOM 140 O LEU A 12 16.172 -12.197 2.855 1.00 61.54 O ATOM 141 CB LEU A 12 17.824 -10.544 0.610 1.00 1.41 C ATOM 142 CG LEU A 12 17.113 -10.344 -0.729 1.00 23.13 C ATOM 143 CD1 LEU A 12 17.502 -9.009 -1.346 1.00 43.24 C ATOM 144 CD2 LEU A 12 17.434 -11.488 -1.679 1.00 3.34 C ATOM 0 H LEU A 12 18.442 -10.889 3.226 1.00 24.44 H new ATOM 0 HA LEU A 12 16.524 -9.223 1.702 1.00 13.33 H new ATOM 0 HB2 LEU A 12 18.737 -9.949 0.606 1.00 1.41 H new ATOM 0 HB3 LEU A 12 18.125 -11.589 0.686 1.00 1.41 H new ATOM 0 HG LEU A 12 16.038 -10.338 -0.551 1.00 23.13 H new ATOM 0 HD11 LEU A 12 16.986 -8.884 -2.298 1.00 43.24 H new ATOM 0 HD12 LEU A 12 17.220 -8.200 -0.672 1.00 43.24 H new ATOM 0 HD13 LEU A 12 18.579 -8.984 -1.511 1.00 43.24 H new ATOM 0 HD21 LEU A 12 16.920 -11.329 -2.627 1.00 3.34 H new ATOM 0 HD22 LEU A 12 18.510 -11.527 -1.852 1.00 3.34 H new ATOM 0 HD23 LEU A 12 17.103 -12.429 -1.240 1.00 3.34 H new ATOM 156 N MET A 13 14.788 -11.064 1.490 1.00 42.14 N ATOM 157 CA MET A 13 13.687 -12.006 1.646 1.00 33.41 C ATOM 158 C MET A 13 13.233 -12.542 0.291 1.00 40.04 C ATOM 159 O MET A 13 13.127 -11.792 -0.679 1.00 53.03 O ATOM 160 CB MET A 13 12.512 -11.337 2.362 1.00 72.22 C ATOM 161 CG MET A 13 11.817 -12.242 3.366 1.00 31.44 C ATOM 162 SD MET A 13 10.754 -13.466 2.576 1.00 1.33 S ATOM 163 CE MET A 13 9.241 -12.525 2.382 1.00 15.23 C ATOM 0 H MET A 13 14.586 -10.277 0.873 1.00 42.14 H new ATOM 0 HA MET A 13 14.041 -12.843 2.248 1.00 33.41 H new ATOM 0 HB2 MET A 13 12.871 -10.445 2.876 1.00 72.22 H new ATOM 0 HB3 MET A 13 11.786 -11.006 1.620 1.00 72.22 H new ATOM 0 HG2 MET A 13 12.567 -12.753 3.969 1.00 31.44 H new ATOM 0 HG3 MET A 13 11.221 -11.634 4.046 1.00 31.44 H new ATOM 0 HE1 MET A 13 8.482 -12.913 3.061 1.00 15.23 H new ATOM 0 HE2 MET A 13 9.432 -11.477 2.612 1.00 15.23 H new ATOM 0 HE3 MET A 13 8.888 -12.612 1.355 1.00 15.23 H new ATOM 173 N VAL A 14 12.967 -13.842 0.233 1.00 0.34 N ATOM 174 CA VAL A 14 12.524 -14.477 -1.003 1.00 54.11 C ATOM 175 C VAL A 14 11.101 -15.006 -0.870 1.00 75.31 C ATOM 176 O VAL A 14 10.843 -15.944 -0.114 1.00 44.51 O ATOM 177 CB VAL A 14 13.455 -15.637 -1.404 1.00 71.42 C ATOM 178 CG1 VAL A 14 13.031 -16.225 -2.740 1.00 65.25 C ATOM 179 CG2 VAL A 14 14.901 -15.167 -1.454 1.00 54.20 C ATOM 0 H VAL A 14 13.050 -14.477 1.027 1.00 0.34 H new ATOM 0 HA VAL A 14 12.554 -13.712 -1.779 1.00 54.11 H new ATOM 0 HB VAL A 14 13.377 -16.419 -0.649 1.00 71.42 H new ATOM 0 HG11 VAL A 14 13.700 -17.043 -3.006 1.00 65.25 H new ATOM 0 HG12 VAL A 14 12.011 -16.601 -2.665 1.00 65.25 H new ATOM 0 HG13 VAL A 14 13.077 -15.453 -3.508 1.00 65.25 H new ATOM 0 HG21 VAL A 14 15.544 -15.999 -1.739 1.00 54.20 H new ATOM 0 HG22 VAL A 14 14.998 -14.366 -2.187 1.00 54.20 H new ATOM 0 HG23 VAL A 14 15.198 -14.798 -0.472 1.00 54.20 H new ATOM 189 N LYS A 15 10.178 -14.398 -1.608 1.00 45.14 N ATOM 190 CA LYS A 15 8.779 -14.808 -1.576 1.00 34.42 C ATOM 191 C LYS A 15 8.399 -15.549 -2.853 1.00 3.44 C ATOM 192 O LYS A 15 8.554 -15.025 -3.956 1.00 33.44 O ATOM 193 CB LYS A 15 7.874 -13.588 -1.392 1.00 23.14 C ATOM 194 CG LYS A 15 6.453 -13.941 -0.983 1.00 20.51 C ATOM 195 CD LYS A 15 6.289 -13.930 0.528 1.00 21.44 C ATOM 196 CE LYS A 15 5.977 -12.534 1.045 1.00 61.00 C ATOM 197 NZ LYS A 15 4.513 -12.260 1.053 1.00 31.20 N1+ ATOM 0 H LYS A 15 10.374 -13.619 -2.236 1.00 45.14 H new ATOM 0 HA LYS A 15 8.643 -15.484 -0.732 1.00 34.42 H new ATOM 0 HB2 LYS A 15 8.309 -12.934 -0.636 1.00 23.14 H new ATOM 0 HB3 LYS A 15 7.845 -13.023 -2.324 1.00 23.14 H new ATOM 0 HG2 LYS A 15 5.757 -13.231 -1.431 1.00 20.51 H new ATOM 0 HG3 LYS A 15 6.196 -14.927 -1.371 1.00 20.51 H new ATOM 0 HD2 LYS A 15 5.488 -14.612 0.813 1.00 21.44 H new ATOM 0 HD3 LYS A 15 7.202 -14.297 0.997 1.00 21.44 H new ATOM 0 HE2 LYS A 15 6.373 -12.424 2.055 1.00 61.00 H new ATOM 0 HE3 LYS A 15 6.481 -11.795 0.423 1.00 61.00 H new ATOM 0 HZ1 LYS A 15 4.342 -11.299 1.412 1.00 31.20 H new ATOM 0 HZ2 LYS A 15 4.140 -12.340 0.086 1.00 31.20 H new ATOM 0 HZ3 LYS A 15 4.034 -12.949 1.667 1.00 31.20 H new ATOM 211 N VAL A 16 7.897 -16.770 -2.697 1.00 43.13 N ATOM 212 CA VAL A 16 7.492 -17.582 -3.839 1.00 14.13 C ATOM 213 C VAL A 16 5.981 -17.783 -3.860 1.00 22.53 C ATOM 214 O VAL A 16 5.441 -18.596 -3.109 1.00 43.30 O ATOM 215 CB VAL A 16 8.182 -18.958 -3.822 1.00 62.10 C ATOM 216 CG1 VAL A 16 7.726 -19.799 -5.006 1.00 24.42 C ATOM 217 CG2 VAL A 16 9.695 -18.796 -3.824 1.00 0.34 C ATOM 0 H VAL A 16 7.761 -17.219 -1.791 1.00 43.13 H new ATOM 0 HA VAL A 16 7.797 -17.043 -4.736 1.00 14.13 H new ATOM 0 HB VAL A 16 7.896 -19.477 -2.907 1.00 62.10 H new ATOM 0 HG11 VAL A 16 8.224 -20.768 -4.977 1.00 24.42 H new ATOM 0 HG12 VAL A 16 6.647 -19.944 -4.955 1.00 24.42 H new ATOM 0 HG13 VAL A 16 7.980 -19.288 -5.935 1.00 24.42 H new ATOM 0 HG21 VAL A 16 10.166 -19.779 -3.812 1.00 0.34 H new ATOM 0 HG22 VAL A 16 10.002 -18.257 -4.721 1.00 0.34 H new ATOM 0 HG23 VAL A 16 10.002 -18.235 -2.941 1.00 0.34 H new ATOM 227 N LEU A 17 5.303 -17.038 -4.727 1.00 52.23 N ATOM 228 CA LEU A 17 3.852 -17.135 -4.848 1.00 52.32 C ATOM 229 C LEU A 17 3.457 -17.729 -6.197 1.00 63.31 C ATOM 230 O LEU A 17 4.221 -17.668 -7.161 1.00 71.44 O ATOM 231 CB LEU A 17 3.213 -15.757 -4.677 1.00 44.04 C ATOM 232 CG LEU A 17 2.448 -15.528 -3.373 1.00 44.34 C ATOM 233 CD1 LEU A 17 3.259 -14.661 -2.423 1.00 1.50 C ATOM 234 CD2 LEU A 17 1.094 -14.893 -3.653 1.00 53.44 C ATOM 0 H LEU A 17 5.734 -16.361 -5.356 1.00 52.23 H new ATOM 0 HA LEU A 17 3.489 -17.796 -4.061 1.00 52.32 H new ATOM 0 HB2 LEU A 17 3.997 -15.003 -4.752 1.00 44.04 H new ATOM 0 HB3 LEU A 17 2.530 -15.590 -5.510 1.00 44.04 H new ATOM 0 HG LEU A 17 2.282 -16.495 -2.898 1.00 44.34 H new ATOM 0 HD11 LEU A 17 2.698 -14.509 -1.501 1.00 1.50 H new ATOM 0 HD12 LEU A 17 4.204 -15.155 -2.196 1.00 1.50 H new ATOM 0 HD13 LEU A 17 3.457 -13.696 -2.890 1.00 1.50 H new ATOM 0 HD21 LEU A 17 0.564 -14.737 -2.713 1.00 53.44 H new ATOM 0 HD22 LEU A 17 1.238 -13.934 -4.151 1.00 53.44 H new ATOM 0 HD23 LEU A 17 0.509 -15.552 -4.295 1.00 53.44 H new ATOM 246 N ASP A 18 2.258 -18.298 -6.259 1.00 52.03 N ATOM 247 CA ASP A 18 1.759 -18.899 -7.490 1.00 1.53 C ATOM 248 C ASP A 18 0.790 -17.958 -8.200 1.00 31.30 C ATOM 249 O ASP A 18 -0.118 -17.405 -7.580 1.00 2.31 O ATOM 250 CB ASP A 18 1.070 -20.230 -7.191 1.00 21.40 C ATOM 251 CG ASP A 18 1.051 -21.155 -8.392 1.00 31.11 C ATOM 252 OD1 ASP A 18 0.852 -20.659 -9.521 1.00 53.44 O ATOM 253 OD2 ASP A 18 1.238 -22.375 -8.203 1.00 31.41 O1- ATOM 0 H ASP A 18 1.613 -18.356 -5.471 1.00 52.03 H new ATOM 0 HA ASP A 18 2.609 -19.080 -8.147 1.00 1.53 H new ATOM 0 HB2 ASP A 18 1.582 -20.723 -6.364 1.00 21.40 H new ATOM 0 HB3 ASP A 18 0.047 -20.041 -6.865 1.00 21.40 H new ATOM 258 N ALA A 19 0.990 -17.782 -9.501 1.00 54.11 N ATOM 259 CA ALA A 19 0.133 -16.909 -10.295 1.00 4.04 C ATOM 260 C ALA A 19 -1.155 -17.621 -10.697 1.00 72.45 C ATOM 261 O ALA A 19 -2.174 -16.983 -10.957 1.00 54.10 O ATOM 262 CB ALA A 19 0.875 -16.421 -11.530 1.00 64.31 C ATOM 0 H ALA A 19 1.738 -18.232 -10.029 1.00 54.11 H new ATOM 0 HA ALA A 19 -0.134 -16.049 -9.681 1.00 4.04 H new ATOM 0 HB1 ALA A 19 0.223 -15.771 -12.113 1.00 64.31 H new ATOM 0 HB2 ALA A 19 1.763 -15.866 -11.226 1.00 64.31 H new ATOM 0 HB3 ALA A 19 1.172 -17.276 -12.138 1.00 64.31 H new ATOM 268 N VAL A 20 -1.100 -18.949 -10.745 1.00 1.32 N ATOM 269 CA VAL A 20 -2.262 -19.748 -11.114 1.00 4.11 C ATOM 270 C VAL A 20 -3.146 -20.026 -9.904 1.00 34.21 C ATOM 271 O VAL A 20 -4.367 -19.876 -9.965 1.00 24.34 O ATOM 272 CB VAL A 20 -1.843 -21.088 -11.748 1.00 64.24 C ATOM 273 CG1 VAL A 20 -3.055 -21.986 -11.951 1.00 42.40 C ATOM 274 CG2 VAL A 20 -1.119 -20.850 -13.065 1.00 1.33 C ATOM 0 H VAL A 20 -0.264 -19.493 -10.533 1.00 1.32 H new ATOM 0 HA VAL A 20 -2.825 -19.168 -11.845 1.00 4.11 H new ATOM 0 HB VAL A 20 -1.157 -21.593 -11.068 1.00 64.24 H new ATOM 0 HG11 VAL A 20 -2.739 -22.928 -12.400 1.00 42.40 H new ATOM 0 HG12 VAL A 20 -3.527 -22.183 -10.989 1.00 42.40 H new ATOM 0 HG13 VAL A 20 -3.768 -21.491 -12.610 1.00 42.40 H new ATOM 0 HG21 VAL A 20 -0.830 -21.807 -13.499 1.00 1.33 H new ATOM 0 HG22 VAL A 20 -1.780 -20.324 -13.754 1.00 1.33 H new ATOM 0 HG23 VAL A 20 -0.228 -20.249 -12.887 1.00 1.33 H new ATOM 284 N ARG A 21 -2.521 -20.432 -8.802 1.00 70.43 N ATOM 285 CA ARG A 21 -3.251 -20.732 -7.576 1.00 40.24 C ATOM 286 C ARG A 21 -3.502 -19.462 -6.769 1.00 25.13 C ATOM 287 O ARG A 21 -4.406 -19.411 -5.936 1.00 25.45 O ATOM 288 CB ARG A 21 -2.475 -21.742 -6.730 1.00 54.04 C ATOM 289 CG ARG A 21 -1.851 -22.865 -7.542 1.00 23.13 C ATOM 290 CD ARG A 21 -1.278 -23.950 -6.644 1.00 70.24 C ATOM 291 NE ARG A 21 -2.291 -24.520 -5.760 1.00 32.25 N ATOM 292 CZ ARG A 21 -2.036 -25.465 -4.861 1.00 13.33 C ATOM 293 NH1 ARG A 21 -0.806 -25.942 -4.728 1.00 64.54 N1+ ATOM 294 NH2 ARG A 21 -3.011 -25.934 -4.093 1.00 42.11 N ATOM 0 H ARG A 21 -1.511 -20.560 -8.734 1.00 70.43 H new ATOM 0 HA ARG A 21 -4.214 -21.163 -7.851 1.00 40.24 H new ATOM 0 HB2 ARG A 21 -1.689 -21.219 -6.185 1.00 54.04 H new ATOM 0 HB3 ARG A 21 -3.146 -22.172 -5.987 1.00 54.04 H new ATOM 0 HG2 ARG A 21 -2.602 -23.298 -8.204 1.00 23.13 H new ATOM 0 HG3 ARG A 21 -1.062 -22.462 -8.176 1.00 23.13 H new ATOM 0 HD2 ARG A 21 -0.848 -24.740 -7.259 1.00 70.24 H new ATOM 0 HD3 ARG A 21 -0.467 -23.535 -6.046 1.00 70.24 H new ATOM 0 HE ARG A 21 -3.247 -24.174 -5.837 1.00 32.25 H new ATOM 0 HH11 ARG A 21 -0.054 -25.584 -5.316 1.00 64.54 H new ATOM 0 HH12 ARG A 21 -0.612 -26.667 -4.037 1.00 64.54 H new ATOM 0 HH21 ARG A 21 -3.958 -25.569 -4.192 1.00 42.11 H new ATOM 0 HH22 ARG A 21 -2.813 -26.659 -3.404 1.00 42.11 H new ATOM 308 N GLY A 22 -2.693 -18.437 -7.021 1.00 14.01 N ATOM 309 CA GLY A 22 -2.844 -17.181 -6.310 1.00 71.33 C ATOM 310 C GLY A 22 -2.484 -17.299 -4.842 1.00 55.30 C ATOM 311 O GLY A 22 -2.937 -16.505 -4.018 1.00 35.44 O ATOM 0 H GLY A 22 -1.936 -18.454 -7.705 1.00 14.01 H new ATOM 0 HA2 GLY A 22 -2.212 -16.425 -6.776 1.00 71.33 H new ATOM 0 HA3 GLY A 22 -3.874 -16.837 -6.402 1.00 71.33 H new ATOM 315 N SER A 23 -1.669 -18.296 -4.512 1.00 52.31 N ATOM 316 CA SER A 23 -1.253 -18.521 -3.133 1.00 31.20 C ATOM 317 C SER A 23 0.230 -18.872 -3.063 1.00 73.43 C ATOM 318 O SER A 23 0.846 -19.276 -4.048 1.00 43.22 O ATOM 319 CB SER A 23 -2.085 -19.639 -2.503 1.00 51.44 C ATOM 320 OG SER A 23 -3.241 -19.120 -1.868 1.00 24.23 O ATOM 0 H SER A 23 -1.283 -18.961 -5.182 1.00 52.31 H new ATOM 0 HA SER A 23 -1.416 -17.599 -2.575 1.00 31.20 H new ATOM 0 HB2 SER A 23 -2.379 -20.355 -3.271 1.00 51.44 H new ATOM 0 HB3 SER A 23 -1.480 -20.181 -1.776 1.00 51.44 H new ATOM 0 HG SER A 23 -3.756 -19.855 -1.475 1.00 24.23 H new ATOM 326 N PRO A 24 0.819 -18.713 -1.868 1.00 13.40 N ATOM 327 CA PRO A 24 2.236 -19.008 -1.639 1.00 34.35 C ATOM 328 C PRO A 24 2.535 -20.503 -1.696 1.00 53.53 C ATOM 329 O PRO A 24 1.811 -21.312 -1.118 1.00 40.42 O ATOM 330 CB PRO A 24 2.488 -18.467 -0.229 1.00 12.41 C ATOM 331 CG PRO A 24 1.154 -18.503 0.435 1.00 62.31 C ATOM 332 CD PRO A 24 0.146 -18.235 -0.649 1.00 53.31 C ATOM 0 HA PRO A 24 2.873 -18.561 -2.403 1.00 34.35 H new ATOM 0 HB2 PRO A 24 3.213 -19.080 0.306 1.00 12.41 H new ATOM 0 HB3 PRO A 24 2.888 -17.453 -0.259 1.00 12.41 H new ATOM 0 HG2 PRO A 24 0.977 -19.472 0.902 1.00 62.31 H new ATOM 0 HG3 PRO A 24 1.089 -17.752 1.223 1.00 62.31 H new ATOM 0 HD2 PRO A 24 -0.788 -18.769 -0.470 1.00 53.31 H new ATOM 0 HD3 PRO A 24 -0.100 -17.175 -0.715 1.00 53.31 H new ATOM 340 N ALA A 25 3.604 -20.861 -2.399 1.00 24.51 N ATOM 341 CA ALA A 25 3.999 -22.257 -2.531 1.00 10.44 C ATOM 342 C ALA A 25 4.694 -22.753 -1.267 1.00 33.45 C ATOM 343 O ALA A 25 5.402 -21.997 -0.601 1.00 43.13 O ATOM 344 CB ALA A 25 4.905 -22.439 -3.740 1.00 61.41 C ATOM 0 H ALA A 25 4.212 -20.203 -2.886 1.00 24.51 H new ATOM 0 HA ALA A 25 3.097 -22.851 -2.675 1.00 10.44 H new ATOM 0 HB1 ALA A 25 5.192 -23.487 -3.825 1.00 61.41 H new ATOM 0 HB2 ALA A 25 4.374 -22.133 -4.642 1.00 61.41 H new ATOM 0 HB3 ALA A 25 5.799 -21.827 -3.620 1.00 61.41 H new ATOM 350 N ILE A 26 4.488 -24.025 -0.944 1.00 22.35 N ATOM 351 CA ILE A 26 5.096 -24.620 0.240 1.00 34.21 C ATOM 352 C ILE A 26 6.198 -25.602 -0.143 1.00 14.43 C ATOM 353 O ILE A 26 6.090 -26.316 -1.140 1.00 25.11 O ATOM 354 CB ILE A 26 4.050 -25.350 1.103 1.00 4.42 C ATOM 355 CG1 ILE A 26 3.113 -24.342 1.771 1.00 3.20 C ATOM 356 CG2 ILE A 26 4.738 -26.216 2.149 1.00 54.14 C ATOM 357 CD1 ILE A 26 2.062 -24.983 2.649 1.00 11.52 C ATOM 0 H ILE A 26 3.905 -24.663 -1.485 1.00 22.35 H new ATOM 0 HA ILE A 26 5.526 -23.803 0.819 1.00 34.21 H new ATOM 0 HB ILE A 26 3.456 -25.996 0.457 1.00 4.42 H new ATOM 0 HG12 ILE A 26 3.705 -23.651 2.372 1.00 3.20 H new ATOM 0 HG13 ILE A 26 2.619 -23.751 1.000 1.00 3.20 H new ATOM 0 HG21 ILE A 26 3.986 -26.726 2.751 1.00 54.14 H new ATOM 0 HG22 ILE A 26 5.367 -26.955 1.653 1.00 54.14 H new ATOM 0 HG23 ILE A 26 5.354 -25.588 2.793 1.00 54.14 H new ATOM 0 HD11 ILE A 26 1.434 -24.208 3.089 1.00 11.52 H new ATOM 0 HD12 ILE A 26 1.445 -25.652 2.049 1.00 11.52 H new ATOM 0 HD13 ILE A 26 2.548 -25.551 3.442 1.00 11.52 H new ATOM 369 N ASN A 27 7.259 -25.634 0.657 1.00 12.42 N ATOM 370 CA ASN A 27 8.381 -26.529 0.403 1.00 73.32 C ATOM 371 C ASN A 27 8.996 -26.256 -0.967 1.00 13.34 C ATOM 372 O ASN A 27 9.196 -27.173 -1.763 1.00 65.22 O ATOM 373 CB ASN A 27 7.927 -27.988 0.489 1.00 73.52 C ATOM 374 CG ASN A 27 7.799 -28.470 1.922 1.00 73.20 C ATOM 375 OD1 ASN A 27 8.091 -29.626 2.228 1.00 43.32 O ATOM 376 ND2 ASN A 27 7.360 -27.583 2.807 1.00 31.42 N ATOM 0 H ASN A 27 7.365 -25.050 1.487 1.00 12.42 H new ATOM 0 HA ASN A 27 9.139 -26.346 1.165 1.00 73.32 H new ATOM 0 HB2 ASN A 27 6.967 -28.097 -0.015 1.00 73.52 H new ATOM 0 HB3 ASN A 27 8.640 -28.619 -0.042 1.00 73.52 H new ATOM 0 HD21 ASN A 27 7.253 -27.849 3.786 1.00 31.42 H new ATOM 0 HD22 ASN A 27 7.130 -26.635 2.508 1.00 31.42 H new ATOM 383 N VAL A 28 9.293 -24.989 -1.234 1.00 10.34 N ATOM 384 CA VAL A 28 9.886 -24.595 -2.506 1.00 3.15 C ATOM 385 C VAL A 28 11.408 -24.570 -2.419 1.00 50.12 C ATOM 386 O VAL A 28 11.997 -23.607 -1.929 1.00 52.30 O ATOM 387 CB VAL A 28 9.386 -23.208 -2.953 1.00 72.20 C ATOM 388 CG1 VAL A 28 10.065 -22.786 -4.247 1.00 40.10 C ATOM 389 CG2 VAL A 28 7.873 -23.214 -3.113 1.00 33.20 C ATOM 0 H VAL A 28 9.133 -24.217 -0.586 1.00 10.34 H new ATOM 0 HA VAL A 28 9.579 -25.338 -3.242 1.00 3.15 H new ATOM 0 HB VAL A 28 9.645 -22.482 -2.182 1.00 72.20 H new ATOM 0 HG11 VAL A 28 9.699 -21.804 -4.547 1.00 40.10 H new ATOM 0 HG12 VAL A 28 11.143 -22.740 -4.094 1.00 40.10 H new ATOM 0 HG13 VAL A 28 9.840 -23.511 -5.029 1.00 40.10 H new ATOM 0 HG21 VAL A 28 7.537 -22.227 -3.429 1.00 33.20 H new ATOM 0 HG22 VAL A 28 7.589 -23.952 -3.864 1.00 33.20 H new ATOM 0 HG23 VAL A 28 7.407 -23.468 -2.161 1.00 33.20 H new ATOM 399 N ALA A 29 12.040 -25.637 -2.899 1.00 21.11 N ATOM 400 CA ALA A 29 13.494 -25.736 -2.877 1.00 13.43 C ATOM 401 C ALA A 29 14.138 -24.514 -3.523 1.00 73.30 C ATOM 402 O ALA A 29 14.073 -24.335 -4.739 1.00 24.22 O ATOM 403 CB ALA A 29 13.947 -27.007 -3.580 1.00 1.22 C ATOM 0 H ALA A 29 11.568 -26.444 -3.307 1.00 21.11 H new ATOM 0 HA ALA A 29 13.815 -25.775 -1.836 1.00 13.43 H new ATOM 0 HB1 ALA A 29 15.035 -27.068 -3.556 1.00 1.22 H new ATOM 0 HB2 ALA A 29 13.524 -27.874 -3.073 1.00 1.22 H new ATOM 0 HB3 ALA A 29 13.607 -26.991 -4.616 1.00 1.22 H new ATOM 409 N VAL A 30 14.760 -23.674 -2.701 1.00 52.51 N ATOM 410 CA VAL A 30 15.416 -22.469 -3.194 1.00 62.05 C ATOM 411 C VAL A 30 16.891 -22.452 -2.813 1.00 64.44 C ATOM 412 O VAL A 30 17.274 -22.934 -1.745 1.00 3.33 O ATOM 413 CB VAL A 30 14.740 -21.198 -2.645 1.00 11.02 C ATOM 414 CG1 VAL A 30 15.413 -19.952 -3.202 1.00 43.41 C ATOM 415 CG2 VAL A 30 13.254 -21.203 -2.970 1.00 50.55 C ATOM 0 H VAL A 30 14.823 -23.806 -1.692 1.00 52.51 H new ATOM 0 HA VAL A 30 15.325 -22.480 -4.280 1.00 62.05 H new ATOM 0 HB VAL A 30 14.851 -21.187 -1.561 1.00 11.02 H new ATOM 0 HG11 VAL A 30 14.922 -19.064 -2.803 1.00 43.41 H new ATOM 0 HG12 VAL A 30 16.464 -19.946 -2.913 1.00 43.41 H new ATOM 0 HG13 VAL A 30 15.336 -19.952 -4.289 1.00 43.41 H new ATOM 0 HG21 VAL A 30 12.792 -20.298 -2.575 1.00 50.55 H new ATOM 0 HG22 VAL A 30 13.118 -21.238 -4.051 1.00 50.55 H new ATOM 0 HG23 VAL A 30 12.785 -22.077 -2.517 1.00 50.55 H new ATOM 425 N HIS A 31 17.718 -21.893 -3.691 1.00 4.33 N ATOM 426 CA HIS A 31 19.154 -21.812 -3.446 1.00 20.44 C ATOM 427 C HIS A 31 19.671 -20.401 -3.711 1.00 70.41 C ATOM 428 O HIS A 31 19.133 -19.679 -4.550 1.00 62.13 O ATOM 429 CB HIS A 31 19.900 -22.815 -4.327 1.00 42.03 C ATOM 430 CG HIS A 31 19.204 -24.135 -4.455 1.00 51.24 C ATOM 431 ND1 HIS A 31 19.054 -24.794 -5.657 1.00 72.51 N ATOM 432 CD2 HIS A 31 18.615 -24.919 -3.522 1.00 21.01 C ATOM 433 CE1 HIS A 31 18.403 -25.926 -5.458 1.00 63.14 C ATOM 434 NE2 HIS A 31 18.125 -26.026 -4.170 1.00 23.04 N ATOM 0 H HIS A 31 17.418 -21.489 -4.579 1.00 4.33 H new ATOM 0 HA HIS A 31 19.334 -22.055 -2.399 1.00 20.44 H new ATOM 0 HB2 HIS A 31 20.032 -22.386 -5.320 1.00 42.03 H new ATOM 0 HB3 HIS A 31 20.896 -22.977 -3.915 1.00 42.03 H new ATOM 0 HD2 HIS A 31 18.544 -24.712 -2.464 1.00 21.01 H new ATOM 0 HE1 HIS A 31 18.142 -26.647 -6.219 1.00 63.14 H new ATOM 0 HE2 HIS A 31 17.627 -26.800 -3.729 1.00 23.04 H new ATOM 442 N VAL A 32 20.719 -20.016 -2.989 1.00 33.14 N ATOM 443 CA VAL A 32 21.309 -18.692 -3.147 1.00 13.25 C ATOM 444 C VAL A 32 22.823 -18.780 -3.305 1.00 62.02 C ATOM 445 O VAL A 32 23.517 -19.326 -2.447 1.00 63.22 O ATOM 446 CB VAL A 32 20.982 -17.786 -1.945 1.00 11.21 C ATOM 447 CG1 VAL A 32 21.376 -16.346 -2.238 1.00 62.34 C ATOM 448 CG2 VAL A 32 19.506 -17.883 -1.591 1.00 30.45 C ATOM 0 H VAL A 32 21.176 -20.601 -2.290 1.00 33.14 H new ATOM 0 HA VAL A 32 20.877 -18.258 -4.049 1.00 13.25 H new ATOM 0 HB VAL A 32 21.561 -18.127 -1.087 1.00 11.21 H new ATOM 0 HG11 VAL A 32 21.137 -15.721 -1.377 1.00 62.34 H new ATOM 0 HG12 VAL A 32 22.446 -16.295 -2.438 1.00 62.34 H new ATOM 0 HG13 VAL A 32 20.827 -15.989 -3.109 1.00 62.34 H new ATOM 0 HG21 VAL A 32 19.293 -17.237 -0.740 1.00 30.45 H new ATOM 0 HG22 VAL A 32 18.906 -17.569 -2.445 1.00 30.45 H new ATOM 0 HG23 VAL A 32 19.260 -18.914 -1.335 1.00 30.45 H new ATOM 458 N PHE A 33 23.329 -18.240 -4.409 1.00 14.51 N ATOM 459 CA PHE A 33 24.762 -18.259 -4.681 1.00 10.33 C ATOM 460 C PHE A 33 25.315 -16.840 -4.778 1.00 51.44 C ATOM 461 O PHE A 33 24.562 -15.879 -4.944 1.00 61.13 O ATOM 462 CB PHE A 33 25.046 -19.018 -5.978 1.00 54.22 C ATOM 463 CG PHE A 33 24.660 -20.470 -5.919 1.00 35.32 C ATOM 464 CD1 PHE A 33 23.329 -20.848 -5.977 1.00 23.55 C ATOM 465 CD2 PHE A 33 25.629 -21.453 -5.807 1.00 63.43 C ATOM 466 CE1 PHE A 33 22.970 -22.183 -5.924 1.00 31.23 C ATOM 467 CE2 PHE A 33 25.277 -22.788 -5.753 1.00 51.24 C ATOM 468 CZ PHE A 33 23.945 -23.153 -5.811 1.00 15.51 C ATOM 0 H PHE A 33 22.769 -17.784 -5.129 1.00 14.51 H new ATOM 0 HA PHE A 33 25.257 -18.768 -3.854 1.00 10.33 H new ATOM 0 HB2 PHE A 33 24.507 -18.540 -6.795 1.00 54.22 H new ATOM 0 HB3 PHE A 33 26.108 -18.942 -6.209 1.00 54.22 H new ATOM 0 HD1 PHE A 33 22.563 -20.092 -6.065 1.00 23.55 H new ATOM 0 HD2 PHE A 33 26.671 -21.173 -5.761 1.00 63.43 H new ATOM 0 HE1 PHE A 33 21.929 -22.465 -5.971 1.00 31.23 H new ATOM 0 HE2 PHE A 33 26.042 -23.546 -5.666 1.00 51.24 H new ATOM 0 HZ PHE A 33 23.668 -24.196 -5.768 1.00 15.51 H new ATOM 478 N ARG A 34 26.634 -16.717 -4.674 1.00 32.15 N ATOM 479 CA ARG A 34 27.288 -15.416 -4.748 1.00 13.44 C ATOM 480 C ARG A 34 28.319 -15.390 -5.873 1.00 21.02 C ATOM 481 O ARG A 34 28.967 -16.397 -6.160 1.00 3.34 O ATOM 482 CB ARG A 34 27.962 -15.084 -3.416 1.00 72.25 C ATOM 483 CG ARG A 34 29.273 -15.820 -3.197 1.00 3.34 C ATOM 484 CD ARG A 34 29.747 -15.700 -1.756 1.00 53.42 C ATOM 485 NE ARG A 34 31.200 -15.777 -1.649 1.00 31.04 N ATOM 486 CZ ARG A 34 32.019 -14.798 -2.020 1.00 34.30 C ATOM 487 NH1 ARG A 34 31.526 -13.672 -2.517 1.00 44.53 N1+ ATOM 488 NH2 ARG A 34 33.330 -14.943 -1.890 1.00 2.43 N ATOM 0 H ARG A 34 27.271 -17.502 -4.538 1.00 32.15 H new ATOM 0 HA ARG A 34 26.526 -14.665 -4.959 1.00 13.44 H new ATOM 0 HB2 ARG A 34 28.145 -14.011 -3.369 1.00 72.25 H new ATOM 0 HB3 ARG A 34 27.279 -15.327 -2.602 1.00 72.25 H new ATOM 0 HG2 ARG A 34 29.148 -16.872 -3.453 1.00 3.34 H new ATOM 0 HG3 ARG A 34 30.034 -15.417 -3.866 1.00 3.34 H new ATOM 0 HD2 ARG A 34 29.403 -14.754 -1.339 1.00 53.42 H new ATOM 0 HD3 ARG A 34 29.297 -16.494 -1.159 1.00 53.42 H new ATOM 0 HE ARG A 34 31.610 -16.630 -1.268 1.00 31.04 H new ATOM 0 HH11 ARG A 34 30.517 -13.556 -2.615 1.00 44.53 H new ATOM 0 HH12 ARG A 34 32.155 -12.921 -2.801 1.00 44.53 H new ATOM 0 HH21 ARG A 34 33.712 -15.807 -1.505 1.00 2.43 H new ATOM 0 HH22 ARG A 34 33.957 -14.191 -2.175 1.00 2.43 H new ATOM 502 N LYS A 35 28.467 -14.231 -6.506 1.00 54.20 N ATOM 503 CA LYS A 35 29.418 -14.071 -7.600 1.00 73.31 C ATOM 504 C LYS A 35 30.852 -14.137 -7.085 1.00 71.34 C ATOM 505 O LYS A 35 31.273 -13.303 -6.283 1.00 63.22 O ATOM 506 CB LYS A 35 29.183 -12.741 -8.317 1.00 24.12 C ATOM 507 CG LYS A 35 30.313 -12.346 -9.251 1.00 14.42 C ATOM 508 CD LYS A 35 30.518 -13.378 -10.347 1.00 34.13 C ATOM 509 CE LYS A 35 29.365 -13.375 -11.339 1.00 42.22 C ATOM 510 NZ LYS A 35 29.337 -12.129 -12.154 1.00 53.31 N1+ ATOM 0 H LYS A 35 27.940 -13.388 -6.280 1.00 54.20 H new ATOM 0 HA LYS A 35 29.265 -14.888 -8.305 1.00 73.31 H new ATOM 0 HB2 LYS A 35 28.256 -12.804 -8.888 1.00 24.12 H new ATOM 0 HB3 LYS A 35 29.046 -11.956 -7.573 1.00 24.12 H new ATOM 0 HG2 LYS A 35 30.094 -11.377 -9.699 1.00 14.42 H new ATOM 0 HG3 LYS A 35 31.235 -12.232 -8.680 1.00 14.42 H new ATOM 0 HD2 LYS A 35 31.451 -13.172 -10.872 1.00 34.13 H new ATOM 0 HD3 LYS A 35 30.614 -14.368 -9.902 1.00 34.13 H new ATOM 0 HE2 LYS A 35 29.451 -14.238 -11.999 1.00 42.22 H new ATOM 0 HE3 LYS A 35 28.423 -13.478 -10.801 1.00 42.22 H new ATOM 0 HZ1 LYS A 35 28.713 -12.265 -12.975 1.00 53.31 H new ATOM 0 HZ2 LYS A 35 28.980 -11.343 -11.574 1.00 53.31 H new ATOM 0 HZ3 LYS A 35 30.298 -11.908 -12.483 1.00 53.31 H new ATOM 524 N ALA A 36 31.599 -15.132 -7.552 1.00 33.44 N ATOM 525 CA ALA A 36 32.988 -15.303 -7.142 1.00 70.02 C ATOM 526 C ALA A 36 33.917 -14.424 -7.971 1.00 20.11 C ATOM 527 O ALA A 36 33.467 -13.653 -8.817 1.00 35.22 O ATOM 528 CB ALA A 36 33.396 -16.764 -7.259 1.00 3.22 C ATOM 0 H ALA A 36 31.266 -15.832 -8.215 1.00 33.44 H new ATOM 0 HA ALA A 36 33.074 -14.995 -6.100 1.00 70.02 H new ATOM 0 HB1 ALA A 36 34.435 -16.877 -6.950 1.00 3.22 H new ATOM 0 HB2 ALA A 36 32.758 -17.372 -6.618 1.00 3.22 H new ATOM 0 HB3 ALA A 36 33.287 -17.090 -8.293 1.00 3.22 H new ATOM 534 N ALA A 37 35.217 -14.544 -7.720 1.00 24.23 N ATOM 535 CA ALA A 37 36.210 -13.760 -8.444 1.00 41.33 C ATOM 536 C ALA A 37 36.504 -14.373 -9.809 1.00 62.24 C ATOM 537 O ALA A 37 37.188 -13.770 -10.636 1.00 15.13 O ATOM 538 CB ALA A 37 37.489 -13.646 -7.628 1.00 20.34 C ATOM 0 H ALA A 37 35.607 -15.176 -7.021 1.00 24.23 H new ATOM 0 HA ALA A 37 35.803 -12.761 -8.603 1.00 41.33 H new ATOM 0 HB1 ALA A 37 38.222 -13.058 -8.181 1.00 20.34 H new ATOM 0 HB2 ALA A 37 37.272 -13.156 -6.679 1.00 20.34 H new ATOM 0 HB3 ALA A 37 37.890 -14.642 -7.440 1.00 20.34 H new ATOM 544 N ASP A 38 35.983 -15.573 -10.037 1.00 62.14 N ATOM 545 CA ASP A 38 36.189 -16.268 -11.303 1.00 4.12 C ATOM 546 C ASP A 38 34.935 -16.203 -12.169 1.00 0.42 C ATOM 547 O ASP A 38 34.679 -17.097 -12.975 1.00 23.13 O ATOM 548 CB ASP A 38 36.576 -17.726 -11.053 1.00 0.10 C ATOM 549 CG ASP A 38 37.593 -18.236 -12.054 1.00 65.21 C ATOM 550 OD1 ASP A 38 38.679 -17.628 -12.161 1.00 40.31 O1- ATOM 551 OD2 ASP A 38 37.303 -19.245 -12.732 1.00 5.41 O ATOM 0 H ASP A 38 35.415 -16.085 -9.362 1.00 62.14 H new ATOM 0 HA ASP A 38 37.001 -15.771 -11.833 1.00 4.12 H new ATOM 0 HB2 ASP A 38 36.982 -17.823 -10.046 1.00 0.10 H new ATOM 0 HB3 ASP A 38 35.682 -18.349 -11.098 1.00 0.10 H new ATOM 556 N ASP A 39 34.157 -15.140 -11.997 1.00 22.23 N ATOM 557 CA ASP A 39 32.929 -14.959 -12.762 1.00 13.11 C ATOM 558 C ASP A 39 31.996 -16.151 -12.583 1.00 31.25 C ATOM 559 O ASP A 39 31.176 -16.449 -13.453 1.00 44.13 O ATOM 560 CB ASP A 39 33.252 -14.766 -14.245 1.00 2.13 C ATOM 561 CG ASP A 39 33.937 -13.442 -14.521 1.00 55.52 C ATOM 562 OD1 ASP A 39 33.279 -12.391 -14.375 1.00 75.13 O1- ATOM 563 OD2 ASP A 39 35.133 -13.456 -14.883 1.00 22.43 O ATOM 0 H ASP A 39 34.355 -14.390 -11.334 1.00 22.23 H new ATOM 0 HA ASP A 39 32.425 -14.068 -12.388 1.00 13.11 H new ATOM 0 HB2 ASP A 39 33.892 -15.581 -14.583 1.00 2.13 H new ATOM 0 HB3 ASP A 39 32.331 -14.823 -14.825 1.00 2.13 H new ATOM 568 N THR A 40 32.125 -16.833 -11.448 1.00 30.11 N ATOM 569 CA THR A 40 31.295 -17.994 -11.156 1.00 25.33 C ATOM 570 C THR A 40 30.334 -17.708 -10.007 1.00 51.15 C ATOM 571 O THR A 40 30.285 -16.591 -9.490 1.00 63.30 O ATOM 572 CB THR A 40 32.153 -19.222 -10.799 1.00 62.55 C ATOM 573 OG1 THR A 40 32.889 -18.973 -9.596 1.00 73.04 O ATOM 574 CG2 THR A 40 33.117 -19.557 -11.928 1.00 33.22 C ATOM 0 H THR A 40 32.797 -16.600 -10.717 1.00 30.11 H new ATOM 0 HA THR A 40 30.724 -18.209 -12.059 1.00 25.33 H new ATOM 0 HB THR A 40 31.486 -20.071 -10.648 1.00 62.55 H new ATOM 0 HG1 THR A 40 33.431 -19.759 -9.375 1.00 73.04 H new ATOM 0 HG21 THR A 40 33.712 -20.428 -11.652 1.00 33.22 H new ATOM 0 HG22 THR A 40 32.553 -19.775 -12.835 1.00 33.22 H new ATOM 0 HG23 THR A 40 33.777 -18.708 -12.107 1.00 33.22 H new ATOM 582 N TRP A 41 29.574 -18.723 -9.612 1.00 51.02 N ATOM 583 CA TRP A 41 28.615 -18.579 -8.522 1.00 63.44 C ATOM 584 C TRP A 41 28.878 -19.606 -7.427 1.00 42.43 C ATOM 585 O TRP A 41 28.728 -20.808 -7.642 1.00 72.23 O ATOM 586 CB TRP A 41 27.187 -18.731 -9.049 1.00 61.33 C ATOM 587 CG TRP A 41 26.841 -17.742 -10.121 1.00 74.13 C ATOM 588 CD1 TRP A 41 26.780 -17.978 -11.465 1.00 3.01 C ATOM 589 CD2 TRP A 41 26.511 -16.361 -9.940 1.00 44.13 C ATOM 590 NE1 TRP A 41 26.432 -16.827 -12.129 1.00 54.41 N ATOM 591 CE2 TRP A 41 26.260 -15.821 -11.216 1.00 1.20 C ATOM 592 CE3 TRP A 41 26.400 -15.529 -8.822 1.00 51.42 C ATOM 593 CZ2 TRP A 41 25.907 -14.488 -11.403 1.00 72.03 C ATOM 594 CZ3 TRP A 41 26.050 -14.205 -9.010 1.00 23.02 C ATOM 595 CH2 TRP A 41 25.806 -13.695 -10.293 1.00 4.00 C ATOM 0 H TRP A 41 29.603 -19.653 -10.029 1.00 51.02 H new ATOM 0 HA TRP A 41 28.733 -17.583 -8.096 1.00 63.44 H new ATOM 0 HB2 TRP A 41 27.057 -19.740 -9.440 1.00 61.33 H new ATOM 0 HB3 TRP A 41 26.488 -18.618 -8.221 1.00 61.33 H new ATOM 0 HD1 TRP A 41 26.976 -18.930 -11.936 1.00 3.01 H new ATOM 0 HE1 TRP A 41 26.320 -16.736 -13.139 1.00 54.41 H new ATOM 0 HE3 TRP A 41 26.584 -15.914 -7.830 1.00 51.42 H new ATOM 0 HZ2 TRP A 41 25.719 -14.093 -12.391 1.00 72.03 H new ATOM 0 HZ3 TRP A 41 25.963 -13.552 -8.154 1.00 23.02 H new ATOM 0 HH2 TRP A 41 25.533 -12.656 -10.407 1.00 4.00 H new ATOM 606 N GLU A 42 29.270 -19.124 -6.252 1.00 14.31 N ATOM 607 CA GLU A 42 29.554 -20.004 -5.124 1.00 22.31 C ATOM 608 C GLU A 42 28.328 -20.153 -4.227 1.00 30.22 C ATOM 609 O GLU A 42 27.427 -19.313 -4.221 1.00 23.11 O ATOM 610 CB GLU A 42 30.731 -19.461 -4.309 1.00 42.11 C ATOM 611 CG GLU A 42 32.089 -19.879 -4.848 1.00 72.32 C ATOM 612 CD GLU A 42 33.154 -19.934 -3.769 1.00 0.20 C ATOM 613 OE1 GLU A 42 33.560 -18.859 -3.281 1.00 22.10 O1- ATOM 614 OE2 GLU A 42 33.580 -21.053 -3.413 1.00 22.45 O ATOM 0 H GLU A 42 29.398 -18.131 -6.056 1.00 14.31 H new ATOM 0 HA GLU A 42 29.815 -20.986 -5.519 1.00 22.31 H new ATOM 0 HB2 GLU A 42 30.677 -18.373 -4.289 1.00 42.11 H new ATOM 0 HB3 GLU A 42 30.637 -19.804 -3.279 1.00 42.11 H new ATOM 0 HG2 GLU A 42 32.003 -20.858 -5.319 1.00 72.32 H new ATOM 0 HG3 GLU A 42 32.399 -19.179 -5.624 1.00 72.32 H new ATOM 621 N PRO A 43 28.291 -21.247 -3.453 1.00 55.32 N ATOM 622 CA PRO A 43 27.181 -21.533 -2.539 1.00 0.45 C ATOM 623 C PRO A 43 27.144 -20.574 -1.355 1.00 61.23 C ATOM 624 O PRO A 43 28.091 -20.503 -0.571 1.00 55.41 O ATOM 625 CB PRO A 43 27.471 -22.959 -2.065 1.00 61.34 C ATOM 626 CG PRO A 43 28.945 -23.117 -2.215 1.00 40.42 C ATOM 627 CD PRO A 43 29.331 -22.290 -3.410 1.00 75.22 C ATOM 0 HA PRO A 43 26.212 -21.420 -3.025 1.00 0.45 H new ATOM 0 HB2 PRO A 43 27.161 -23.103 -1.030 1.00 61.34 H new ATOM 0 HB3 PRO A 43 26.931 -23.693 -2.664 1.00 61.34 H new ATOM 0 HG2 PRO A 43 29.467 -22.777 -1.320 1.00 40.42 H new ATOM 0 HG3 PRO A 43 29.212 -24.163 -2.362 1.00 40.42 H new ATOM 0 HD2 PRO A 43 30.326 -21.861 -3.297 1.00 75.22 H new ATOM 0 HD3 PRO A 43 29.342 -22.884 -4.324 1.00 75.22 H new ATOM 635 N PHE A 44 26.045 -19.839 -1.229 1.00 1.12 N ATOM 636 CA PHE A 44 25.885 -18.883 -0.140 1.00 62.35 C ATOM 637 C PHE A 44 24.890 -19.400 0.895 1.00 72.22 C ATOM 638 O PHE A 44 25.209 -19.508 2.079 1.00 41.04 O ATOM 639 CB PHE A 44 25.417 -17.531 -0.682 1.00 22.21 C ATOM 640 CG PHE A 44 25.249 -16.484 0.381 1.00 51.13 C ATOM 641 CD1 PHE A 44 26.355 -15.871 0.949 1.00 54.50 C ATOM 642 CD2 PHE A 44 23.986 -16.112 0.813 1.00 44.44 C ATOM 643 CE1 PHE A 44 26.204 -14.906 1.927 1.00 13.33 C ATOM 644 CE2 PHE A 44 23.829 -15.148 1.790 1.00 23.30 C ATOM 645 CZ PHE A 44 24.940 -14.545 2.349 1.00 2.44 C ATOM 0 H PHE A 44 25.251 -19.887 -1.868 1.00 1.12 H new ATOM 0 HA PHE A 44 26.854 -18.756 0.343 1.00 62.35 H new ATOM 0 HB2 PHE A 44 26.136 -17.176 -1.420 1.00 22.21 H new ATOM 0 HB3 PHE A 44 24.468 -17.666 -1.201 1.00 22.21 H new ATOM 0 HD1 PHE A 44 27.346 -16.151 0.624 1.00 54.50 H new ATOM 0 HD2 PHE A 44 23.114 -16.581 0.381 1.00 44.44 H new ATOM 0 HE1 PHE A 44 27.074 -14.435 2.361 1.00 13.33 H new ATOM 0 HE2 PHE A 44 22.839 -14.866 2.117 1.00 23.30 H new ATOM 0 HZ PHE A 44 24.820 -13.793 3.115 1.00 2.44 H new ATOM 655 N ALA A 45 23.682 -19.717 0.440 1.00 74.54 N ATOM 656 CA ALA A 45 22.640 -20.223 1.324 1.00 71.13 C ATOM 657 C ALA A 45 21.611 -21.038 0.549 1.00 63.11 C ATOM 658 O ALA A 45 21.677 -21.137 -0.676 1.00 0.42 O ATOM 659 CB ALA A 45 21.964 -19.074 2.056 1.00 14.12 C ATOM 0 H ALA A 45 23.401 -19.632 -0.537 1.00 74.54 H new ATOM 0 HA ALA A 45 23.108 -20.880 2.057 1.00 71.13 H new ATOM 0 HB1 ALA A 45 21.188 -19.467 2.713 1.00 14.12 H new ATOM 0 HB2 ALA A 45 22.703 -18.536 2.649 1.00 14.12 H new ATOM 0 HB3 ALA A 45 21.516 -18.394 1.331 1.00 14.12 H new ATOM 665 N SER A 46 20.659 -21.622 1.271 1.00 60.52 N ATOM 666 CA SER A 46 19.618 -22.433 0.651 1.00 52.32 C ATOM 667 C SER A 46 18.515 -22.760 1.654 1.00 40.50 C ATOM 668 O SER A 46 18.756 -22.829 2.858 1.00 65.02 O ATOM 669 CB SER A 46 20.214 -23.727 0.092 1.00 70.12 C ATOM 670 OG SER A 46 19.262 -24.776 0.108 1.00 13.53 O ATOM 0 H SER A 46 20.588 -21.548 2.286 1.00 60.52 H new ATOM 0 HA SER A 46 19.184 -21.859 -0.167 1.00 52.32 H new ATOM 0 HB2 SER A 46 20.559 -23.561 -0.928 1.00 70.12 H new ATOM 0 HB3 SER A 46 21.085 -24.014 0.681 1.00 70.12 H new ATOM 0 HG SER A 46 19.667 -25.591 -0.256 1.00 13.53 H new ATOM 676 N GLY A 47 17.302 -22.960 1.145 1.00 11.14 N ATOM 677 CA GLY A 47 16.179 -23.276 2.008 1.00 1.53 C ATOM 678 C GLY A 47 14.886 -23.446 1.238 1.00 63.12 C ATOM 679 O GLY A 47 14.861 -23.312 0.014 1.00 62.23 O ATOM 0 H GLY A 47 17.078 -22.909 0.151 1.00 11.14 H new ATOM 0 HA2 GLY A 47 16.394 -24.192 2.558 1.00 1.53 H new ATOM 0 HA3 GLY A 47 16.057 -22.483 2.746 1.00 1.53 H new ATOM 683 N LYS A 48 13.807 -23.744 1.954 1.00 51.41 N ATOM 684 CA LYS A 48 12.503 -23.933 1.331 1.00 3.33 C ATOM 685 C LYS A 48 11.483 -22.947 1.892 1.00 14.54 C ATOM 686 O LYS A 48 11.653 -22.419 2.992 1.00 53.10 O ATOM 687 CB LYS A 48 12.013 -25.367 1.548 1.00 54.50 C ATOM 688 CG LYS A 48 12.898 -26.416 0.898 1.00 35.21 C ATOM 689 CD LYS A 48 12.462 -27.823 1.272 1.00 13.00 C ATOM 690 CE LYS A 48 13.457 -28.864 0.783 1.00 55.05 C ATOM 691 NZ LYS A 48 13.102 -30.233 1.249 1.00 60.34 N1+ ATOM 0 H LYS A 48 13.810 -23.860 2.967 1.00 51.41 H new ATOM 0 HA LYS A 48 12.610 -23.750 0.262 1.00 3.33 H new ATOM 0 HB2 LYS A 48 11.956 -25.565 2.618 1.00 54.50 H new ATOM 0 HB3 LYS A 48 11.002 -25.461 1.152 1.00 54.50 H new ATOM 0 HG2 LYS A 48 12.866 -26.300 -0.185 1.00 35.21 H new ATOM 0 HG3 LYS A 48 13.933 -26.261 1.204 1.00 35.21 H new ATOM 0 HD2 LYS A 48 12.359 -27.897 2.355 1.00 13.00 H new ATOM 0 HD3 LYS A 48 11.481 -28.027 0.844 1.00 13.00 H new ATOM 0 HE2 LYS A 48 13.492 -28.849 -0.306 1.00 55.05 H new ATOM 0 HE3 LYS A 48 14.455 -28.607 1.138 1.00 55.05 H new ATOM 0 HZ1 LYS A 48 13.804 -30.913 0.895 1.00 60.34 H new ATOM 0 HZ2 LYS A 48 13.093 -30.254 2.289 1.00 60.34 H new ATOM 0 HZ3 LYS A 48 12.160 -30.489 0.889 1.00 60.34 H new ATOM 705 N THR A 49 10.422 -22.701 1.130 1.00 35.43 N ATOM 706 CA THR A 49 9.375 -21.779 1.551 1.00 51.31 C ATOM 707 C THR A 49 8.347 -22.480 2.432 1.00 3.20 C ATOM 708 O THR A 49 8.345 -23.704 2.545 1.00 55.41 O ATOM 709 CB THR A 49 8.657 -21.155 0.340 1.00 40.10 C ATOM 710 OG1 THR A 49 7.989 -22.173 -0.412 1.00 34.44 O ATOM 711 CG2 THR A 49 9.643 -20.420 -0.555 1.00 72.54 C ATOM 0 H THR A 49 10.265 -23.128 0.217 1.00 35.43 H new ATOM 0 HA THR A 49 9.860 -20.988 2.123 1.00 51.31 H new ATOM 0 HB THR A 49 7.924 -20.438 0.711 1.00 40.10 H new ATOM 0 HG1 THR A 49 7.023 -22.010 -0.397 1.00 34.44 H new ATOM 0 HG21 THR A 49 9.112 -19.988 -1.403 1.00 72.54 H new ATOM 0 HG22 THR A 49 10.127 -19.626 0.013 1.00 72.54 H new ATOM 0 HG23 THR A 49 10.397 -21.119 -0.917 1.00 72.54 H new ATOM 719 N SER A 50 7.474 -21.693 3.054 1.00 13.14 N ATOM 720 CA SER A 50 6.442 -22.238 3.928 1.00 23.01 C ATOM 721 C SER A 50 5.052 -21.839 3.441 1.00 61.40 C ATOM 722 O SER A 50 4.890 -21.357 2.321 1.00 4.13 O ATOM 723 CB SER A 50 6.651 -21.752 5.363 1.00 14.25 C ATOM 724 OG SER A 50 8.028 -21.728 5.698 1.00 22.21 O ATOM 0 H SER A 50 7.461 -20.677 2.969 1.00 13.14 H new ATOM 0 HA SER A 50 6.518 -23.325 3.906 1.00 23.01 H new ATOM 0 HB2 SER A 50 6.228 -20.754 5.477 1.00 14.25 H new ATOM 0 HB3 SER A 50 6.117 -22.405 6.053 1.00 14.25 H new ATOM 0 HG SER A 50 8.135 -21.412 6.620 1.00 22.21 H new ATOM 730 N GLU A 51 4.052 -22.045 4.293 1.00 40.23 N ATOM 731 CA GLU A 51 2.676 -21.708 3.950 1.00 60.32 C ATOM 732 C GLU A 51 2.538 -20.217 3.652 1.00 42.55 C ATOM 733 O GLU A 51 1.563 -19.782 3.041 1.00 73.13 O ATOM 734 CB GLU A 51 1.731 -22.100 5.089 1.00 71.34 C ATOM 735 CG GLU A 51 2.232 -21.689 6.463 1.00 5.20 C ATOM 736 CD GLU A 51 1.199 -20.905 7.249 1.00 50.43 C ATOM 737 OE1 GLU A 51 1.135 -19.670 7.077 1.00 51.42 O1- ATOM 738 OE2 GLU A 51 0.455 -21.526 8.037 1.00 12.23 O ATOM 0 H GLU A 51 4.169 -22.443 5.225 1.00 40.23 H new ATOM 0 HA GLU A 51 2.406 -22.267 3.054 1.00 60.32 H new ATOM 0 HB2 GLU A 51 0.757 -21.643 4.915 1.00 71.34 H new ATOM 0 HB3 GLU A 51 1.584 -23.180 5.073 1.00 71.34 H new ATOM 0 HG2 GLU A 51 2.512 -22.580 7.025 1.00 5.20 H new ATOM 0 HG3 GLU A 51 3.133 -21.086 6.352 1.00 5.20 H new ATOM 745 N SER A 52 3.524 -19.440 4.090 1.00 0.31 N ATOM 746 CA SER A 52 3.511 -17.996 3.875 1.00 24.21 C ATOM 747 C SER A 52 4.271 -17.631 2.604 1.00 24.50 C ATOM 748 O SER A 52 4.189 -16.503 2.121 1.00 12.24 O ATOM 749 CB SER A 52 4.126 -17.276 5.076 1.00 63.01 C ATOM 750 OG SER A 52 3.183 -17.135 6.124 1.00 15.33 O ATOM 0 H SER A 52 4.341 -19.785 4.595 1.00 0.31 H new ATOM 0 HA SER A 52 2.475 -17.678 3.762 1.00 24.21 H new ATOM 0 HB2 SER A 52 4.992 -17.834 5.434 1.00 63.01 H new ATOM 0 HB3 SER A 52 4.484 -16.293 4.770 1.00 63.01 H new ATOM 0 HG SER A 52 3.601 -16.673 6.880 1.00 15.33 H new ATOM 756 N GLY A 53 5.014 -18.595 2.067 1.00 45.14 N ATOM 757 CA GLY A 53 5.779 -18.356 0.857 1.00 60.22 C ATOM 758 C GLY A 53 7.087 -17.642 1.130 1.00 74.10 C ATOM 759 O GLY A 53 7.866 -17.387 0.212 1.00 12.51 O ATOM 0 H GLY A 53 5.099 -19.537 2.449 1.00 45.14 H new ATOM 0 HA2 GLY A 53 5.984 -19.308 0.366 1.00 60.22 H new ATOM 0 HA3 GLY A 53 5.182 -17.762 0.165 1.00 60.22 H new ATOM 763 N GLU A 54 7.329 -17.315 2.397 1.00 43.33 N ATOM 764 CA GLU A 54 8.551 -16.623 2.787 1.00 51.21 C ATOM 765 C GLU A 54 9.596 -17.610 3.301 1.00 32.34 C ATOM 766 O GLU A 54 9.258 -18.637 3.892 1.00 45.34 O ATOM 767 CB GLU A 54 8.251 -15.577 3.862 1.00 52.21 C ATOM 768 CG GLU A 54 7.546 -16.143 5.083 1.00 3.13 C ATOM 769 CD GLU A 54 7.274 -15.091 6.140 1.00 12.04 C ATOM 770 OE1 GLU A 54 7.930 -14.029 6.102 1.00 73.43 O1- ATOM 771 OE2 GLU A 54 6.404 -15.330 7.004 1.00 3.21 O ATOM 0 H GLU A 54 6.695 -17.519 3.169 1.00 43.33 H new ATOM 0 HA GLU A 54 8.951 -16.123 1.905 1.00 51.21 H new ATOM 0 HB2 GLU A 54 9.186 -15.112 4.176 1.00 52.21 H new ATOM 0 HB3 GLU A 54 7.634 -14.790 3.429 1.00 52.21 H new ATOM 0 HG2 GLU A 54 6.603 -16.596 4.776 1.00 3.13 H new ATOM 0 HG3 GLU A 54 8.156 -16.937 5.514 1.00 3.13 H new ATOM 778 N LEU A 55 10.865 -17.294 3.069 1.00 2.41 N ATOM 779 CA LEU A 55 11.960 -18.152 3.507 1.00 22.44 C ATOM 780 C LEU A 55 13.028 -17.343 4.237 1.00 75.42 C ATOM 781 O LEU A 55 13.778 -16.587 3.619 1.00 42.00 O ATOM 782 CB LEU A 55 12.579 -18.873 2.310 1.00 1.43 C ATOM 783 CG LEU A 55 13.931 -19.546 2.556 1.00 62.34 C ATOM 784 CD1 LEU A 55 13.844 -20.502 3.736 1.00 65.40 C ATOM 785 CD2 LEU A 55 14.397 -20.278 1.306 1.00 12.22 C ATOM 0 H LEU A 55 11.161 -16.449 2.580 1.00 2.41 H new ATOM 0 HA LEU A 55 11.555 -18.891 4.198 1.00 22.44 H new ATOM 0 HB2 LEU A 55 11.876 -19.631 1.965 1.00 1.43 H new ATOM 0 HB3 LEU A 55 12.696 -18.154 1.499 1.00 1.43 H new ATOM 0 HG LEU A 55 14.663 -18.774 2.794 1.00 62.34 H new ATOM 0 HD11 LEU A 55 14.815 -20.971 3.896 1.00 65.40 H new ATOM 0 HD12 LEU A 55 13.556 -19.950 4.631 1.00 65.40 H new ATOM 0 HD13 LEU A 55 13.099 -21.270 3.528 1.00 65.40 H new ATOM 0 HD21 LEU A 55 15.360 -20.751 1.499 1.00 12.22 H new ATOM 0 HD22 LEU A 55 13.666 -21.040 1.037 1.00 12.22 H new ATOM 0 HD23 LEU A 55 14.499 -19.568 0.485 1.00 12.22 H new ATOM 797 N HIS A 56 13.092 -17.510 5.554 1.00 62.22 N ATOM 798 CA HIS A 56 14.071 -16.797 6.368 1.00 52.21 C ATOM 799 C HIS A 56 15.050 -17.770 7.017 1.00 65.14 C ATOM 800 O HIS A 56 14.813 -18.977 7.047 1.00 61.43 O ATOM 801 CB HIS A 56 13.366 -15.972 7.444 1.00 44.24 C ATOM 802 CG HIS A 56 12.437 -14.934 6.891 1.00 31.34 C ATOM 803 ND1 HIS A 56 12.596 -13.583 7.119 1.00 24.42 N ATOM 804 CD2 HIS A 56 11.334 -15.056 6.115 1.00 65.14 C ATOM 805 CE1 HIS A 56 11.630 -12.920 6.509 1.00 13.10 C ATOM 806 NE2 HIS A 56 10.851 -13.790 5.891 1.00 75.35 N ATOM 0 H HIS A 56 12.478 -18.132 6.080 1.00 62.22 H new ATOM 0 HA HIS A 56 14.631 -16.127 5.715 1.00 52.21 H new ATOM 0 HB2 HIS A 56 12.803 -16.642 8.094 1.00 44.24 H new ATOM 0 HB3 HIS A 56 14.116 -15.482 8.065 1.00 44.24 H new ATOM 0 HD2 HIS A 56 10.912 -15.978 5.742 1.00 65.14 H new ATOM 0 HE1 HIS A 56 11.499 -11.848 6.514 1.00 13.10 H new ATOM 0 HE2 HIS A 56 10.026 -13.559 5.338 1.00 75.35 H new ATOM 814 N GLY A 57 16.152 -17.237 7.535 1.00 54.50 N ATOM 815 CA GLY A 57 17.151 -18.072 8.175 1.00 51.11 C ATOM 816 C GLY A 57 18.083 -18.730 7.176 1.00 44.14 C ATOM 817 O GLY A 57 18.411 -19.910 7.305 1.00 3.50 O ATOM 0 H GLY A 57 16.371 -16.241 7.523 1.00 54.50 H new ATOM 0 HA2 GLY A 57 17.735 -17.467 8.869 1.00 51.11 H new ATOM 0 HA3 GLY A 57 16.653 -18.842 8.765 1.00 51.11 H new ATOM 821 N LEU A 58 18.511 -17.965 6.178 1.00 1.11 N ATOM 822 CA LEU A 58 19.411 -18.480 5.152 1.00 53.45 C ATOM 823 C LEU A 58 20.868 -18.323 5.577 1.00 62.15 C ATOM 824 O LEU A 58 21.638 -19.284 5.560 1.00 35.35 O ATOM 825 CB LEU A 58 19.174 -17.755 3.827 1.00 64.24 C ATOM 826 CG LEU A 58 18.126 -18.374 2.901 1.00 4.24 C ATOM 827 CD1 LEU A 58 17.904 -17.493 1.681 1.00 55.53 C ATOM 828 CD2 LEU A 58 18.548 -19.774 2.479 1.00 62.04 C ATOM 0 H LEU A 58 18.250 -16.986 6.057 1.00 1.11 H new ATOM 0 HA LEU A 58 19.202 -19.542 5.020 1.00 53.45 H new ATOM 0 HB2 LEU A 58 18.876 -16.729 4.045 1.00 64.24 H new ATOM 0 HB3 LEU A 58 20.121 -17.705 3.289 1.00 64.24 H new ATOM 0 HG LEU A 58 17.185 -18.448 3.447 1.00 4.24 H new ATOM 0 HD11 LEU A 58 17.155 -17.950 1.034 1.00 55.53 H new ATOM 0 HD12 LEU A 58 17.557 -16.510 2.000 1.00 55.53 H new ATOM 0 HD13 LEU A 58 18.841 -17.387 1.134 1.00 55.53 H new ATOM 0 HD21 LEU A 58 17.791 -20.199 1.820 1.00 62.04 H new ATOM 0 HD22 LEU A 58 19.501 -19.723 1.952 1.00 62.04 H new ATOM 0 HD23 LEU A 58 18.655 -20.403 3.362 1.00 62.04 H new ATOM 840 N THR A 59 21.240 -17.106 5.959 1.00 11.10 N ATOM 841 CA THR A 59 22.603 -16.822 6.389 1.00 32.02 C ATOM 842 C THR A 59 22.621 -15.817 7.534 1.00 65.34 C ATOM 843 O THR A 59 21.573 -15.358 7.989 1.00 12.31 O ATOM 844 CB THR A 59 23.456 -16.276 5.229 1.00 50.44 C ATOM 845 OG1 THR A 59 22.718 -15.290 4.499 1.00 55.13 O ATOM 846 CG2 THR A 59 23.877 -17.397 4.292 1.00 44.44 C ATOM 0 H THR A 59 20.615 -16.300 5.979 1.00 11.10 H new ATOM 0 HA THR A 59 23.029 -17.765 6.731 1.00 32.02 H new ATOM 0 HB THR A 59 24.352 -15.820 5.651 1.00 50.44 H new ATOM 0 HG1 THR A 59 23.293 -14.893 3.812 1.00 55.13 H new ATOM 0 HG21 THR A 59 24.478 -16.987 3.481 1.00 44.44 H new ATOM 0 HG22 THR A 59 24.464 -18.131 4.844 1.00 44.44 H new ATOM 0 HG23 THR A 59 22.990 -17.878 3.879 1.00 44.44 H new ATOM 854 N THR A 60 23.820 -15.477 8.000 1.00 54.44 N ATOM 855 CA THR A 60 23.973 -14.527 9.094 1.00 13.13 C ATOM 856 C THR A 60 24.448 -13.171 8.581 1.00 21.15 C ATOM 857 O THR A 60 24.850 -13.041 7.426 1.00 14.52 O ATOM 858 CB THR A 60 24.970 -15.041 10.149 1.00 25.41 C ATOM 859 OG1 THR A 60 26.207 -15.397 9.524 1.00 64.13 O ATOM 860 CG2 THR A 60 24.402 -16.246 10.886 1.00 52.01 C ATOM 0 H THR A 60 24.698 -15.846 7.636 1.00 54.44 H new ATOM 0 HA THR A 60 22.992 -14.416 9.556 1.00 13.13 H new ATOM 0 HB THR A 60 25.146 -14.243 10.870 1.00 25.41 H new ATOM 0 HG1 THR A 60 26.835 -15.721 10.203 1.00 64.13 H new ATOM 0 HG21 THR A 60 25.123 -16.593 11.626 1.00 52.01 H new ATOM 0 HG22 THR A 60 23.476 -15.963 11.386 1.00 52.01 H new ATOM 0 HG23 THR A 60 24.200 -17.046 10.174 1.00 52.01 H new ATOM 868 N GLU A 61 24.400 -12.166 9.450 1.00 22.20 N ATOM 869 CA GLU A 61 24.827 -10.820 9.083 1.00 34.44 C ATOM 870 C GLU A 61 26.347 -10.744 8.965 1.00 75.15 C ATOM 871 O GLU A 61 26.882 -9.912 8.233 1.00 20.20 O ATOM 872 CB GLU A 61 24.333 -9.805 10.116 1.00 63.34 C ATOM 873 CG GLU A 61 24.798 -8.385 9.845 1.00 15.31 C ATOM 874 CD GLU A 61 24.144 -7.372 10.765 1.00 74.31 C ATOM 875 OE1 GLU A 61 22.973 -7.580 11.140 1.00 31.33 O ATOM 876 OE2 GLU A 61 24.807 -6.370 11.107 1.00 53.10 O1- ATOM 0 H GLU A 61 24.071 -12.258 10.411 1.00 22.20 H new ATOM 0 HA GLU A 61 24.392 -10.581 8.112 1.00 34.44 H new ATOM 0 HB2 GLU A 61 23.243 -9.823 10.139 1.00 63.34 H new ATOM 0 HB3 GLU A 61 24.677 -10.109 11.105 1.00 63.34 H new ATOM 0 HG2 GLU A 61 25.880 -8.332 9.963 1.00 15.31 H new ATOM 0 HG3 GLU A 61 24.577 -8.126 8.810 1.00 15.31 H new ATOM 883 N GLU A 62 27.035 -11.619 9.692 1.00 42.53 N ATOM 884 CA GLU A 62 28.493 -11.649 9.671 1.00 43.33 C ATOM 885 C GLU A 62 29.004 -12.386 8.436 1.00 65.32 C ATOM 886 O GLU A 62 30.127 -12.163 7.987 1.00 62.24 O ATOM 887 CB GLU A 62 29.030 -12.320 10.937 1.00 54.13 C ATOM 888 CG GLU A 62 28.335 -11.864 12.209 1.00 32.32 C ATOM 889 CD GLU A 62 29.312 -11.419 13.280 1.00 63.21 C ATOM 890 OE1 GLU A 62 30.360 -12.080 13.439 1.00 22.34 O1- ATOM 891 OE2 GLU A 62 29.028 -10.409 13.957 1.00 12.42 O ATOM 0 H GLU A 62 26.607 -12.316 10.302 1.00 42.53 H new ATOM 0 HA GLU A 62 28.851 -10.620 9.634 1.00 43.33 H new ATOM 0 HB2 GLU A 62 28.920 -13.400 10.840 1.00 54.13 H new ATOM 0 HB3 GLU A 62 30.097 -12.115 11.022 1.00 54.13 H new ATOM 0 HG2 GLU A 62 27.659 -11.042 11.975 1.00 32.32 H new ATOM 0 HG3 GLU A 62 27.723 -12.679 12.596 1.00 32.32 H new ATOM 898 N GLU A 63 28.168 -13.267 7.892 1.00 72.05 N ATOM 899 CA GLU A 63 28.536 -14.039 6.711 1.00 4.24 C ATOM 900 C GLU A 63 28.068 -13.339 5.437 1.00 63.22 C ATOM 901 O GLU A 63 28.691 -13.465 4.383 1.00 24.32 O ATOM 902 CB GLU A 63 27.934 -15.444 6.784 1.00 2.20 C ATOM 903 CG GLU A 63 28.105 -16.247 5.505 1.00 63.03 C ATOM 904 CD GLU A 63 29.561 -16.431 5.123 1.00 12.25 C ATOM 905 OE1 GLU A 63 30.280 -17.148 5.850 1.00 44.51 O1- ATOM 906 OE2 GLU A 63 29.981 -15.858 4.096 1.00 13.21 O ATOM 0 H GLU A 63 27.233 -13.463 8.250 1.00 72.05 H new ATOM 0 HA GLU A 63 29.623 -14.119 6.684 1.00 4.24 H new ATOM 0 HB2 GLU A 63 28.397 -15.986 7.608 1.00 2.20 H new ATOM 0 HB3 GLU A 63 26.871 -15.363 7.013 1.00 2.20 H new ATOM 0 HG2 GLU A 63 27.639 -17.225 5.629 1.00 63.03 H new ATOM 0 HG3 GLU A 63 27.580 -15.745 4.692 1.00 63.03 H new ATOM 913 N PHE A 64 26.969 -12.601 5.545 1.00 65.55 N ATOM 914 CA PHE A 64 26.417 -11.882 4.402 1.00 2.44 C ATOM 915 C PHE A 64 27.330 -10.731 3.991 1.00 64.41 C ATOM 916 O PHE A 64 27.538 -9.787 4.753 1.00 23.03 O ATOM 917 CB PHE A 64 25.021 -11.348 4.735 1.00 11.52 C ATOM 918 CG PHE A 64 24.383 -10.594 3.604 1.00 62.32 C ATOM 919 CD1 PHE A 64 24.582 -9.231 3.462 1.00 2.21 C ATOM 920 CD2 PHE A 64 23.582 -11.251 2.682 1.00 23.14 C ATOM 921 CE1 PHE A 64 23.996 -8.535 2.422 1.00 22.10 C ATOM 922 CE2 PHE A 64 22.994 -10.559 1.640 1.00 23.23 C ATOM 923 CZ PHE A 64 23.200 -9.200 1.510 1.00 20.10 C ATOM 0 H PHE A 64 26.443 -12.485 6.411 1.00 65.55 H new ATOM 0 HA PHE A 64 26.343 -12.579 3.567 1.00 2.44 H new ATOM 0 HB2 PHE A 64 24.378 -12.183 5.013 1.00 11.52 H new ATOM 0 HB3 PHE A 64 25.089 -10.694 5.605 1.00 11.52 H new ATOM 0 HD1 PHE A 64 25.203 -8.706 4.173 1.00 2.21 H new ATOM 0 HD2 PHE A 64 23.416 -12.314 2.779 1.00 23.14 H new ATOM 0 HE1 PHE A 64 24.160 -7.472 2.322 1.00 22.10 H new ATOM 0 HE2 PHE A 64 22.373 -11.082 0.927 1.00 23.23 H new ATOM 0 HZ PHE A 64 22.740 -8.658 0.697 1.00 20.10 H new ATOM 933 N VAL A 65 27.872 -10.817 2.780 1.00 21.05 N ATOM 934 CA VAL A 65 28.762 -9.784 2.266 1.00 15.40 C ATOM 935 C VAL A 65 28.141 -9.068 1.071 1.00 44.42 C ATOM 936 O VAL A 65 27.024 -9.380 0.662 1.00 15.41 O ATOM 937 CB VAL A 65 30.123 -10.371 1.848 1.00 4.22 C ATOM 938 CG1 VAL A 65 30.843 -10.958 3.052 1.00 44.35 C ATOM 939 CG2 VAL A 65 29.939 -11.421 0.763 1.00 3.14 C ATOM 0 H VAL A 65 27.710 -11.592 2.137 1.00 21.05 H new ATOM 0 HA VAL A 65 28.916 -9.069 3.074 1.00 15.40 H new ATOM 0 HB VAL A 65 30.738 -9.567 1.443 1.00 4.22 H new ATOM 0 HG11 VAL A 65 31.803 -11.368 2.738 1.00 44.35 H new ATOM 0 HG12 VAL A 65 31.008 -10.177 3.794 1.00 44.35 H new ATOM 0 HG13 VAL A 65 30.235 -11.751 3.489 1.00 44.35 H new ATOM 0 HG21 VAL A 65 30.911 -11.825 0.479 1.00 3.14 H new ATOM 0 HG22 VAL A 65 29.307 -12.226 1.139 1.00 3.14 H new ATOM 0 HG23 VAL A 65 29.467 -10.966 -0.108 1.00 3.14 H new ATOM 949 N GLU A 66 28.876 -8.108 0.516 1.00 71.12 N ATOM 950 CA GLU A 66 28.396 -7.349 -0.632 1.00 72.12 C ATOM 951 C GLU A 66 28.748 -8.057 -1.937 1.00 23.14 C ATOM 952 O GLU A 66 29.650 -8.891 -1.980 1.00 1.30 O ATOM 953 CB GLU A 66 28.993 -5.940 -0.626 1.00 3.54 C ATOM 954 CG GLU A 66 28.204 -4.941 -1.454 1.00 73.15 C ATOM 955 CD GLU A 66 28.844 -3.566 -1.474 1.00 11.41 C ATOM 956 OE1 GLU A 66 29.321 -3.117 -0.412 1.00 4.44 O1- ATOM 957 OE2 GLU A 66 28.868 -2.940 -2.556 1.00 63.51 O ATOM 0 H GLU A 66 29.804 -7.839 0.843 1.00 71.12 H new ATOM 0 HA GLU A 66 27.311 -7.276 -0.559 1.00 72.12 H new ATOM 0 HB2 GLU A 66 29.049 -5.583 0.402 1.00 3.54 H new ATOM 0 HB3 GLU A 66 30.014 -5.986 -1.004 1.00 3.54 H new ATOM 0 HG2 GLU A 66 28.115 -5.311 -2.475 1.00 73.15 H new ATOM 0 HG3 GLU A 66 27.193 -4.861 -1.054 1.00 73.15 H new ATOM 964 N GLY A 67 28.027 -7.715 -3.002 1.00 24.52 N ATOM 965 CA GLY A 67 28.277 -8.328 -4.294 1.00 43.11 C ATOM 966 C GLY A 67 27.010 -8.851 -4.942 1.00 53.01 C ATOM 967 O GLY A 67 25.911 -8.650 -4.423 1.00 30.33 O ATOM 0 H GLY A 67 27.276 -7.025 -2.993 1.00 24.52 H new ATOM 0 HA2 GLY A 67 28.745 -7.598 -4.955 1.00 43.11 H new ATOM 0 HA3 GLY A 67 28.985 -9.148 -4.173 1.00 43.11 H new ATOM 971 N ILE A 68 27.163 -9.524 -6.078 1.00 63.14 N ATOM 972 CA ILE A 68 26.023 -10.077 -6.797 1.00 74.20 C ATOM 973 C ILE A 68 25.695 -11.484 -6.307 1.00 31.45 C ATOM 974 O ILE A 68 26.582 -12.234 -5.901 1.00 12.54 O ATOM 975 CB ILE A 68 26.282 -10.121 -8.315 1.00 73.34 C ATOM 976 CG1 ILE A 68 26.820 -8.775 -8.802 1.00 50.12 C ATOM 977 CG2 ILE A 68 25.007 -10.490 -9.059 1.00 20.00 C ATOM 978 CD1 ILE A 68 28.321 -8.753 -8.985 1.00 72.12 C ATOM 0 H ILE A 68 28.066 -9.699 -6.520 1.00 63.14 H new ATOM 0 HA ILE A 68 25.176 -9.419 -6.601 1.00 74.20 H new ATOM 0 HB ILE A 68 27.032 -10.885 -8.519 1.00 73.34 H new ATOM 0 HG12 ILE A 68 26.343 -8.524 -9.750 1.00 50.12 H new ATOM 0 HG13 ILE A 68 26.538 -8.001 -8.088 1.00 50.12 H new ATOM 0 HG21 ILE A 68 25.206 -10.517 -10.130 1.00 20.00 H new ATOM 0 HG22 ILE A 68 24.664 -11.470 -8.729 1.00 20.00 H new ATOM 0 HG23 ILE A 68 24.237 -9.747 -8.852 1.00 20.00 H new ATOM 0 HD11 ILE A 68 28.631 -7.767 -9.332 1.00 72.12 H new ATOM 0 HD12 ILE A 68 28.807 -8.972 -8.034 1.00 72.12 H new ATOM 0 HD13 ILE A 68 28.609 -9.504 -9.721 1.00 72.12 H new ATOM 990 N TYR A 69 24.414 -11.835 -6.351 1.00 70.53 N ATOM 991 CA TYR A 69 23.968 -13.151 -5.911 1.00 5.55 C ATOM 992 C TYR A 69 22.922 -13.719 -6.865 1.00 31.10 C ATOM 993 O TYR A 69 22.100 -12.984 -7.413 1.00 43.33 O ATOM 994 CB TYR A 69 23.393 -13.071 -4.495 1.00 75.15 C ATOM 995 CG TYR A 69 24.416 -12.699 -3.446 1.00 74.35 C ATOM 996 CD1 TYR A 69 24.804 -11.377 -3.264 1.00 43.05 C ATOM 997 CD2 TYR A 69 24.994 -13.668 -2.636 1.00 31.25 C ATOM 998 CE1 TYR A 69 25.739 -11.032 -2.307 1.00 42.14 C ATOM 999 CE2 TYR A 69 25.928 -13.332 -1.675 1.00 72.34 C ATOM 1000 CZ TYR A 69 26.298 -12.013 -1.516 1.00 12.51 C ATOM 1001 OH TYR A 69 27.228 -11.673 -0.560 1.00 52.05 O ATOM 0 H TYR A 69 23.667 -11.227 -6.687 1.00 70.53 H new ATOM 0 HA TYR A 69 24.831 -13.817 -5.909 1.00 5.55 H new ATOM 0 HB2 TYR A 69 22.587 -12.338 -4.480 1.00 75.15 H new ATOM 0 HB3 TYR A 69 22.953 -14.034 -4.236 1.00 75.15 H new ATOM 0 HD1 TYR A 69 24.367 -10.606 -3.881 1.00 43.05 H new ATOM 0 HD2 TYR A 69 24.708 -14.702 -2.760 1.00 31.25 H new ATOM 0 HE1 TYR A 69 26.030 -10.000 -2.179 1.00 42.14 H new ATOM 0 HE2 TYR A 69 26.366 -14.098 -1.052 1.00 72.34 H new ATOM 0 HH TYR A 69 26.881 -10.938 -0.013 1.00 52.05 H new ATOM 1011 N LYS A 70 22.959 -15.033 -7.059 1.00 53.33 N ATOM 1012 CA LYS A 70 22.015 -15.702 -7.945 1.00 53.10 C ATOM 1013 C LYS A 70 21.095 -16.631 -7.158 1.00 14.23 C ATOM 1014 O LYS A 70 21.556 -17.459 -6.373 1.00 71.33 O ATOM 1015 CB LYS A 70 22.764 -16.498 -9.016 1.00 4.23 C ATOM 1016 CG LYS A 70 21.862 -17.054 -10.104 1.00 73.02 C ATOM 1017 CD LYS A 70 22.596 -18.056 -10.979 1.00 24.44 C ATOM 1018 CE LYS A 70 22.674 -19.422 -10.318 1.00 24.25 C ATOM 1019 NZ LYS A 70 23.642 -20.319 -11.009 1.00 5.14 N1+ ATOM 0 H LYS A 70 23.633 -15.656 -6.614 1.00 53.33 H new ATOM 0 HA LYS A 70 21.406 -14.938 -8.428 1.00 53.10 H new ATOM 0 HB2 LYS A 70 23.517 -15.856 -9.473 1.00 4.23 H new ATOM 0 HB3 LYS A 70 23.294 -17.322 -8.539 1.00 4.23 H new ATOM 0 HG2 LYS A 70 20.995 -17.533 -9.649 1.00 73.02 H new ATOM 0 HG3 LYS A 70 21.488 -16.237 -10.721 1.00 73.02 H new ATOM 0 HD2 LYS A 70 22.087 -18.144 -11.939 1.00 24.44 H new ATOM 0 HD3 LYS A 70 23.603 -17.692 -11.184 1.00 24.44 H new ATOM 0 HE2 LYS A 70 22.969 -19.304 -9.275 1.00 24.25 H new ATOM 0 HE3 LYS A 70 21.686 -19.883 -10.320 1.00 24.25 H new ATOM 0 HZ1 LYS A 70 23.372 -21.310 -10.849 1.00 5.14 H new ATOM 0 HZ2 LYS A 70 23.634 -20.118 -12.029 1.00 5.14 H new ATOM 0 HZ3 LYS A 70 24.597 -20.155 -10.632 1.00 5.14 H new ATOM 1033 N VAL A 71 19.791 -16.488 -7.376 1.00 73.11 N ATOM 1034 CA VAL A 71 18.806 -17.316 -6.689 1.00 34.45 C ATOM 1035 C VAL A 71 18.144 -18.296 -7.651 1.00 63.22 C ATOM 1036 O VAL A 71 17.748 -17.924 -8.756 1.00 63.42 O ATOM 1037 CB VAL A 71 17.718 -16.456 -6.021 1.00 32.41 C ATOM 1038 CG1 VAL A 71 16.633 -17.338 -5.423 1.00 2.33 C ATOM 1039 CG2 VAL A 71 18.329 -15.556 -4.958 1.00 13.51 C ATOM 0 H VAL A 71 19.392 -15.807 -8.022 1.00 73.11 H new ATOM 0 HA VAL A 71 19.342 -17.872 -5.920 1.00 34.45 H new ATOM 0 HB VAL A 71 17.261 -15.824 -6.782 1.00 32.41 H new ATOM 0 HG11 VAL A 71 15.873 -16.713 -4.955 1.00 2.33 H new ATOM 0 HG12 VAL A 71 16.176 -17.937 -6.211 1.00 2.33 H new ATOM 0 HG13 VAL A 71 17.072 -17.997 -4.674 1.00 2.33 H new ATOM 0 HG21 VAL A 71 17.546 -14.955 -4.496 1.00 13.51 H new ATOM 0 HG22 VAL A 71 18.813 -16.168 -4.197 1.00 13.51 H new ATOM 0 HG23 VAL A 71 19.067 -14.899 -5.418 1.00 13.51 H new ATOM 1049 N GLU A 72 18.029 -19.550 -7.225 1.00 52.24 N ATOM 1050 CA GLU A 72 17.415 -20.584 -8.050 1.00 34.02 C ATOM 1051 C GLU A 72 16.227 -21.217 -7.333 1.00 45.41 C ATOM 1052 O GLU A 72 16.377 -21.805 -6.261 1.00 32.53 O ATOM 1053 CB GLU A 72 18.443 -21.659 -8.408 1.00 24.24 C ATOM 1054 CG GLU A 72 19.650 -21.123 -9.160 1.00 50.22 C ATOM 1055 CD GLU A 72 20.424 -22.213 -9.873 1.00 65.25 C ATOM 1056 OE1 GLU A 72 19.799 -22.991 -10.624 1.00 13.41 O ATOM 1057 OE2 GLU A 72 21.656 -22.288 -9.680 1.00 24.10 O1- ATOM 0 H GLU A 72 18.353 -19.874 -6.314 1.00 52.24 H new ATOM 0 HA GLU A 72 17.056 -20.117 -8.967 1.00 34.02 H new ATOM 0 HB2 GLU A 72 18.782 -22.144 -7.493 1.00 24.24 H new ATOM 0 HB3 GLU A 72 17.959 -22.425 -9.014 1.00 24.24 H new ATOM 0 HG2 GLU A 72 19.320 -20.382 -9.888 1.00 50.22 H new ATOM 0 HG3 GLU A 72 20.311 -20.611 -8.461 1.00 50.22 H new ATOM 1064 N ILE A 73 15.047 -21.094 -7.932 1.00 61.12 N ATOM 1065 CA ILE A 73 13.834 -21.655 -7.352 1.00 75.21 C ATOM 1066 C ILE A 73 13.428 -22.941 -8.063 1.00 61.50 C ATOM 1067 O ILE A 73 13.460 -23.020 -9.291 1.00 61.15 O ATOM 1068 CB ILE A 73 12.665 -20.654 -7.416 1.00 41.15 C ATOM 1069 CG1 ILE A 73 13.113 -19.280 -6.918 1.00 2.24 C ATOM 1070 CG2 ILE A 73 11.488 -21.163 -6.597 1.00 45.44 C ATOM 1071 CD1 ILE A 73 12.033 -18.223 -7.003 1.00 64.32 C ATOM 0 H ILE A 73 14.906 -20.611 -8.819 1.00 61.12 H new ATOM 0 HA ILE A 73 14.056 -21.876 -6.308 1.00 75.21 H new ATOM 0 HB ILE A 73 12.346 -20.556 -8.454 1.00 41.15 H new ATOM 0 HG12 ILE A 73 13.443 -19.368 -5.883 1.00 2.24 H new ATOM 0 HG13 ILE A 73 13.975 -18.955 -7.501 1.00 2.24 H new ATOM 0 HG21 ILE A 73 10.669 -20.445 -6.651 1.00 45.44 H new ATOM 0 HG22 ILE A 73 11.156 -22.123 -6.994 1.00 45.44 H new ATOM 0 HG23 ILE A 73 11.794 -21.286 -5.558 1.00 45.44 H new ATOM 0 HD11 ILE A 73 12.422 -17.275 -6.633 1.00 64.32 H new ATOM 0 HD12 ILE A 73 11.719 -18.106 -8.040 1.00 64.32 H new ATOM 0 HD13 ILE A 73 11.179 -18.526 -6.397 1.00 64.32 H new ATOM 1083 N ASP A 74 13.043 -23.945 -7.284 1.00 20.43 N ATOM 1084 CA ASP A 74 12.627 -25.228 -7.840 1.00 51.21 C ATOM 1085 C ASP A 74 11.110 -25.378 -7.782 1.00 25.22 C ATOM 1086 O ASP A 74 10.566 -25.946 -6.833 1.00 75.54 O ATOM 1087 CB ASP A 74 13.295 -26.377 -7.082 1.00 1.22 C ATOM 1088 CG ASP A 74 13.533 -27.589 -7.961 1.00 72.00 C ATOM 1089 OD1 ASP A 74 13.788 -27.404 -9.170 1.00 14.52 O1- ATOM 1090 OD2 ASP A 74 13.464 -28.723 -7.441 1.00 5.22 O ATOM 0 H ASP A 74 13.010 -23.896 -6.266 1.00 20.43 H new ATOM 0 HA ASP A 74 12.938 -25.262 -8.884 1.00 51.21 H new ATOM 0 HB2 ASP A 74 14.246 -26.035 -6.674 1.00 1.22 H new ATOM 0 HB3 ASP A 74 12.670 -26.662 -6.236 1.00 1.22 H new ATOM 1095 N THR A 75 10.430 -24.866 -8.803 1.00 25.23 N ATOM 1096 CA THR A 75 8.976 -24.942 -8.869 1.00 73.01 C ATOM 1097 C THR A 75 8.512 -26.362 -9.171 1.00 65.31 C ATOM 1098 O THR A 75 7.382 -26.737 -8.860 1.00 53.44 O ATOM 1099 CB THR A 75 8.412 -23.990 -9.941 1.00 32.14 C ATOM 1100 OG1 THR A 75 8.622 -24.542 -11.245 1.00 31.11 O ATOM 1101 CG2 THR A 75 9.072 -22.622 -9.851 1.00 30.20 C ATOM 0 H THR A 75 10.864 -24.394 -9.596 1.00 25.23 H new ATOM 0 HA THR A 75 8.599 -24.641 -7.892 1.00 73.01 H new ATOM 0 HB THR A 75 7.343 -23.872 -9.765 1.00 32.14 H new ATOM 0 HG1 THR A 75 7.810 -25.006 -11.538 1.00 31.11 H new ATOM 0 HG21 THR A 75 8.658 -21.967 -10.618 1.00 30.20 H new ATOM 0 HG22 THR A 75 8.885 -22.192 -8.867 1.00 30.20 H new ATOM 0 HG23 THR A 75 10.146 -22.726 -10.004 1.00 30.20 H new ATOM 1109 N LYS A 76 9.392 -27.149 -9.781 1.00 33.31 N ATOM 1110 CA LYS A 76 9.074 -28.529 -10.125 1.00 53.53 C ATOM 1111 C LYS A 76 8.566 -29.291 -8.905 1.00 52.22 C ATOM 1112 O LYS A 76 7.676 -30.134 -9.013 1.00 33.40 O ATOM 1113 CB LYS A 76 10.306 -29.231 -10.701 1.00 42.11 C ATOM 1114 CG LYS A 76 11.488 -29.262 -9.747 1.00 35.11 C ATOM 1115 CD LYS A 76 11.623 -30.616 -9.070 1.00 64.45 C ATOM 1116 CE LYS A 76 12.523 -31.549 -9.865 1.00 4.34 C ATOM 1117 NZ LYS A 76 13.048 -32.661 -9.024 1.00 11.00 N1+ ATOM 0 H LYS A 76 10.331 -26.854 -10.047 1.00 33.31 H new ATOM 0 HA LYS A 76 8.286 -28.516 -10.878 1.00 53.53 H new ATOM 0 HB2 LYS A 76 10.039 -30.253 -10.970 1.00 42.11 H new ATOM 0 HB3 LYS A 76 10.605 -28.727 -11.620 1.00 42.11 H new ATOM 0 HG2 LYS A 76 12.403 -29.034 -10.293 1.00 35.11 H new ATOM 0 HG3 LYS A 76 11.367 -28.487 -8.991 1.00 35.11 H new ATOM 0 HD2 LYS A 76 12.029 -30.484 -8.067 1.00 64.45 H new ATOM 0 HD3 LYS A 76 10.637 -31.068 -8.958 1.00 64.45 H new ATOM 0 HE2 LYS A 76 11.966 -31.961 -10.707 1.00 4.34 H new ATOM 0 HE3 LYS A 76 13.357 -30.983 -10.281 1.00 4.34 H new ATOM 0 HZ1 LYS A 76 13.657 -33.275 -9.601 1.00 11.00 H new ATOM 0 HZ2 LYS A 76 13.600 -32.269 -8.235 1.00 11.00 H new ATOM 0 HZ3 LYS A 76 12.253 -33.217 -8.648 1.00 11.00 H new ATOM 1131 N SER A 77 9.138 -28.987 -7.744 1.00 50.35 N ATOM 1132 CA SER A 77 8.744 -29.645 -6.503 1.00 24.21 C ATOM 1133 C SER A 77 7.327 -29.248 -6.103 1.00 74.33 C ATOM 1134 O SER A 77 6.590 -30.041 -5.516 1.00 24.13 O ATOM 1135 CB SER A 77 9.722 -29.290 -5.381 1.00 2.11 C ATOM 1136 OG SER A 77 10.870 -30.120 -5.423 1.00 64.04 O ATOM 0 H SER A 77 9.875 -28.290 -7.637 1.00 50.35 H new ATOM 0 HA SER A 77 8.767 -30.722 -6.668 1.00 24.21 H new ATOM 0 HB2 SER A 77 10.021 -28.246 -5.472 1.00 2.11 H new ATOM 0 HB3 SER A 77 9.227 -29.397 -4.416 1.00 2.11 H new ATOM 0 HG SER A 77 11.480 -29.872 -4.697 1.00 64.04 H new ATOM 1142 N TYR A 78 6.953 -28.014 -6.423 1.00 62.35 N ATOM 1143 CA TYR A 78 5.625 -27.508 -6.096 1.00 72.42 C ATOM 1144 C TYR A 78 4.601 -27.950 -7.137 1.00 51.41 C ATOM 1145 O TYR A 78 3.414 -28.078 -6.842 1.00 23.54 O ATOM 1146 CB TYR A 78 5.647 -25.982 -6.001 1.00 12.14 C ATOM 1147 CG TYR A 78 4.356 -25.389 -5.479 1.00 1.42 C ATOM 1148 CD1 TYR A 78 3.740 -25.905 -4.346 1.00 30.23 C ATOM 1149 CD2 TYR A 78 3.754 -24.315 -6.121 1.00 70.41 C ATOM 1150 CE1 TYR A 78 2.561 -25.368 -3.867 1.00 24.52 C ATOM 1151 CE2 TYR A 78 2.575 -23.770 -5.648 1.00 34.34 C ATOM 1152 CZ TYR A 78 1.983 -24.300 -4.522 1.00 21.50 C ATOM 1153 OH TYR A 78 0.809 -23.761 -4.048 1.00 72.23 O ATOM 0 H TYR A 78 7.551 -27.345 -6.909 1.00 62.35 H new ATOM 0 HA TYR A 78 5.335 -27.921 -5.130 1.00 72.42 H new ATOM 0 HB2 TYR A 78 6.466 -25.679 -5.349 1.00 12.14 H new ATOM 0 HB3 TYR A 78 5.855 -25.568 -6.988 1.00 12.14 H new ATOM 0 HD1 TYR A 78 4.191 -26.740 -3.831 1.00 30.23 H new ATOM 0 HD2 TYR A 78 4.215 -23.899 -7.005 1.00 70.41 H new ATOM 0 HE1 TYR A 78 2.094 -25.782 -2.985 1.00 24.52 H new ATOM 0 HE2 TYR A 78 2.120 -22.934 -6.158 1.00 34.34 H new ATOM 0 HH TYR A 78 0.776 -22.806 -4.266 1.00 72.23 H new ATOM 1163 N TRP A 79 5.072 -28.181 -8.358 1.00 73.24 N ATOM 1164 CA TRP A 79 4.199 -28.609 -9.445 1.00 62.55 C ATOM 1165 C TRP A 79 3.942 -30.110 -9.379 1.00 11.32 C ATOM 1166 O TRP A 79 2.945 -30.603 -9.904 1.00 34.45 O ATOM 1167 CB TRP A 79 4.816 -28.244 -10.796 1.00 35.20 C ATOM 1168 CG TRP A 79 4.960 -26.766 -11.004 1.00 34.11 C ATOM 1169 CD1 TRP A 79 6.085 -26.099 -11.395 1.00 52.43 C ATOM 1170 CD2 TRP A 79 3.942 -25.774 -10.830 1.00 52.00 C ATOM 1171 NE1 TRP A 79 5.829 -24.751 -11.474 1.00 13.12 N ATOM 1172 CE2 TRP A 79 4.521 -24.526 -11.133 1.00 75.53 C ATOM 1173 CE3 TRP A 79 2.599 -25.818 -10.449 1.00 50.52 C ATOM 1174 CZ2 TRP A 79 3.802 -23.335 -11.065 1.00 52.21 C ATOM 1175 CZ3 TRP A 79 1.886 -24.635 -10.383 1.00 34.34 C ATOM 1176 CH2 TRP A 79 2.488 -23.409 -10.690 1.00 2.41 C ATOM 0 H TRP A 79 6.053 -28.079 -8.619 1.00 73.24 H new ATOM 0 HA TRP A 79 3.246 -28.091 -9.337 1.00 62.55 H new ATOM 0 HB2 TRP A 79 5.797 -28.712 -10.878 1.00 35.20 H new ATOM 0 HB3 TRP A 79 4.198 -28.657 -11.593 1.00 35.20 H new ATOM 0 HD1 TRP A 79 7.036 -26.562 -11.611 1.00 52.43 H new ATOM 0 HE1 TRP A 79 6.503 -24.034 -11.743 1.00 13.12 H new ATOM 0 HE3 TRP A 79 2.126 -26.759 -10.210 1.00 50.52 H new ATOM 0 HZ2 TRP A 79 4.265 -22.388 -11.300 1.00 52.21 H new ATOM 0 HZ3 TRP A 79 0.847 -24.657 -10.090 1.00 34.34 H new ATOM 0 HH2 TRP A 79 1.903 -22.503 -10.630 1.00 2.41 H new ATOM 1187 N LYS A 80 4.850 -30.832 -8.731 1.00 14.35 N ATOM 1188 CA LYS A 80 4.721 -32.278 -8.594 1.00 74.13 C ATOM 1189 C LYS A 80 3.754 -32.635 -7.470 1.00 72.35 C ATOM 1190 O LYS A 80 3.239 -33.752 -7.413 1.00 42.42 O ATOM 1191 CB LYS A 80 6.090 -32.909 -8.321 1.00 2.35 C ATOM 1192 CG LYS A 80 6.548 -32.770 -6.880 1.00 11.13 C ATOM 1193 CD LYS A 80 6.463 -34.094 -6.138 1.00 4.54 C ATOM 1194 CE LYS A 80 7.819 -34.777 -6.061 1.00 14.23 C ATOM 1195 NZ LYS A 80 7.690 -36.243 -5.832 1.00 15.12 N1+ ATOM 0 H LYS A 80 5.683 -30.439 -8.293 1.00 14.35 H new ATOM 0 HA LYS A 80 4.324 -32.672 -9.530 1.00 74.13 H new ATOM 0 HB2 LYS A 80 6.051 -33.967 -8.580 1.00 2.35 H new ATOM 0 HB3 LYS A 80 6.830 -32.447 -8.975 1.00 2.35 H new ATOM 0 HG2 LYS A 80 7.575 -32.404 -6.857 1.00 11.13 H new ATOM 0 HG3 LYS A 80 5.933 -32.027 -6.372 1.00 11.13 H new ATOM 0 HD2 LYS A 80 6.082 -33.924 -5.131 1.00 4.54 H new ATOM 0 HD3 LYS A 80 5.752 -34.749 -6.641 1.00 4.54 H new ATOM 0 HE2 LYS A 80 8.367 -34.601 -6.986 1.00 14.23 H new ATOM 0 HE3 LYS A 80 8.404 -34.334 -5.255 1.00 14.23 H new ATOM 0 HZ1 LYS A 80 8.636 -36.672 -5.786 1.00 15.12 H new ATOM 0 HZ2 LYS A 80 7.189 -36.412 -4.936 1.00 15.12 H new ATOM 0 HZ3 LYS A 80 7.154 -36.671 -6.614 1.00 15.12 H new ATOM 1209 N ALA A 81 3.509 -31.679 -6.580 1.00 25.24 N ATOM 1210 CA ALA A 81 2.600 -31.891 -5.461 1.00 60.14 C ATOM 1211 C ALA A 81 1.163 -32.061 -5.945 1.00 25.04 C ATOM 1212 O ALA A 81 0.399 -32.850 -5.387 1.00 75.40 O ATOM 1213 CB ALA A 81 2.694 -30.735 -4.478 1.00 62.23 C ATOM 0 H ALA A 81 3.928 -30.750 -6.613 1.00 25.24 H new ATOM 0 HA ALA A 81 2.896 -32.809 -4.954 1.00 60.14 H new ATOM 0 HB1 ALA A 81 2.009 -30.907 -3.647 1.00 62.23 H new ATOM 0 HB2 ALA A 81 3.713 -30.662 -4.099 1.00 62.23 H new ATOM 0 HB3 ALA A 81 2.427 -29.806 -4.982 1.00 62.23 H new ATOM 1219 N LEU A 82 0.802 -31.318 -6.985 1.00 43.21 N ATOM 1220 CA LEU A 82 -0.543 -31.386 -7.544 1.00 42.14 C ATOM 1221 C LEU A 82 -0.535 -32.086 -8.899 1.00 63.11 C ATOM 1222 O LEU A 82 -1.555 -32.611 -9.344 1.00 71.54 O ATOM 1223 CB LEU A 82 -1.128 -29.979 -7.688 1.00 1.31 C ATOM 1224 CG LEU A 82 -0.121 -28.829 -7.684 1.00 42.43 C ATOM 1225 CD1 LEU A 82 0.775 -28.900 -8.910 1.00 30.23 C ATOM 1226 CD2 LEU A 82 -0.840 -27.490 -7.622 1.00 52.23 C ATOM 0 H LEU A 82 1.422 -30.661 -7.458 1.00 43.21 H new ATOM 0 HA LEU A 82 -1.165 -31.964 -6.861 1.00 42.14 H new ATOM 0 HB2 LEU A 82 -1.694 -29.936 -8.619 1.00 1.31 H new ATOM 0 HB3 LEU A 82 -1.837 -29.817 -6.876 1.00 1.31 H new ATOM 0 HG LEU A 82 0.505 -28.923 -6.797 1.00 42.43 H new ATOM 0 HD11 LEU A 82 1.485 -28.073 -8.890 1.00 30.23 H new ATOM 0 HD12 LEU A 82 1.318 -29.845 -8.910 1.00 30.23 H new ATOM 0 HD13 LEU A 82 0.165 -28.832 -9.811 1.00 30.23 H new ATOM 0 HD21 LEU A 82 -0.107 -26.683 -7.620 1.00 52.23 H new ATOM 0 HD22 LEU A 82 -1.491 -27.386 -8.490 1.00 52.23 H new ATOM 0 HD23 LEU A 82 -1.437 -27.440 -6.712 1.00 52.23 H new ATOM 1238 N GLY A 83 0.624 -32.092 -9.549 1.00 74.15 N ATOM 1239 CA GLY A 83 0.743 -32.733 -10.846 1.00 24.44 C ATOM 1240 C GLY A 83 0.492 -31.774 -11.993 1.00 53.33 C ATOM 1241 O GLY A 83 -0.249 -32.090 -12.924 1.00 44.53 O ATOM 0 H GLY A 83 1.483 -31.665 -9.201 1.00 74.15 H new ATOM 0 HA2 GLY A 83 1.741 -33.161 -10.946 1.00 24.44 H new ATOM 0 HA3 GLY A 83 0.034 -33.559 -10.906 1.00 24.44 H new ATOM 1245 N ILE A 84 1.110 -30.600 -11.925 1.00 11.52 N ATOM 1246 CA ILE A 84 0.948 -29.591 -12.966 1.00 73.53 C ATOM 1247 C ILE A 84 1.975 -29.778 -14.077 1.00 73.31 C ATOM 1248 O ILE A 84 3.132 -30.111 -13.817 1.00 12.13 O ATOM 1249 CB ILE A 84 1.079 -28.167 -12.394 1.00 20.52 C ATOM 1250 CG1 ILE A 84 -0.303 -27.538 -12.210 1.00 42.11 C ATOM 1251 CG2 ILE A 84 1.940 -27.307 -13.308 1.00 54.52 C ATOM 1252 CD1 ILE A 84 -1.272 -28.420 -11.453 1.00 31.45 C ATOM 0 H ILE A 84 1.727 -30.324 -11.161 1.00 11.52 H new ATOM 0 HA ILE A 84 -0.054 -29.718 -13.376 1.00 73.53 H new ATOM 0 HB ILE A 84 1.563 -28.226 -11.419 1.00 20.52 H new ATOM 0 HG12 ILE A 84 -0.195 -26.592 -11.680 1.00 42.11 H new ATOM 0 HG13 ILE A 84 -0.722 -27.308 -13.190 1.00 42.11 H new ATOM 0 HG21 ILE A 84 2.024 -26.303 -12.891 1.00 54.52 H new ATOM 0 HG22 ILE A 84 2.933 -27.748 -13.394 1.00 54.52 H new ATOM 0 HG23 ILE A 84 1.481 -27.253 -14.295 1.00 54.52 H new ATOM 0 HD11 ILE A 84 -2.231 -27.911 -11.360 1.00 31.45 H new ATOM 0 HD12 ILE A 84 -1.410 -29.357 -11.993 1.00 31.45 H new ATOM 0 HD13 ILE A 84 -0.874 -28.629 -10.460 1.00 31.45 H new ATOM 1264 N SER A 85 1.546 -29.560 -15.315 1.00 52.21 N ATOM 1265 CA SER A 85 2.428 -29.706 -16.468 1.00 24.12 C ATOM 1266 C SER A 85 3.701 -28.883 -16.285 1.00 3.33 C ATOM 1267 O SER A 85 3.686 -27.653 -16.331 1.00 53.24 O ATOM 1268 CB SER A 85 1.707 -29.274 -17.746 1.00 54.52 C ATOM 1269 OG SER A 85 2.404 -29.718 -18.898 1.00 23.32 O ATOM 0 H SER A 85 0.592 -29.281 -15.546 1.00 52.21 H new ATOM 0 HA SER A 85 2.704 -30.757 -16.553 1.00 24.12 H new ATOM 0 HB2 SER A 85 0.695 -29.678 -17.751 1.00 54.52 H new ATOM 0 HB3 SER A 85 1.617 -28.188 -17.767 1.00 54.52 H new ATOM 0 HG SER A 85 1.923 -29.431 -19.702 1.00 23.32 H new ATOM 1275 N PRO A 86 4.828 -29.578 -16.074 1.00 42.12 N ATOM 1276 CA PRO A 86 6.130 -28.933 -15.881 1.00 71.24 C ATOM 1277 C PRO A 86 6.652 -28.287 -17.159 1.00 40.35 C ATOM 1278 O PRO A 86 7.165 -28.969 -18.047 1.00 12.43 O ATOM 1279 CB PRO A 86 7.039 -30.091 -15.457 1.00 45.12 C ATOM 1280 CG PRO A 86 6.399 -31.305 -16.035 1.00 24.31 C ATOM 1281 CD PRO A 86 4.919 -31.046 -16.008 1.00 65.12 C ATOM 0 HA PRO A 86 6.080 -28.123 -15.153 1.00 71.24 H new ATOM 0 HB2 PRO A 86 8.052 -29.959 -15.837 1.00 45.12 H new ATOM 0 HB3 PRO A 86 7.112 -30.160 -14.372 1.00 45.12 H new ATOM 0 HG2 PRO A 86 6.746 -31.481 -17.053 1.00 24.31 H new ATOM 0 HG3 PRO A 86 6.650 -32.193 -15.454 1.00 24.31 H new ATOM 0 HD2 PRO A 86 4.413 -31.518 -16.850 1.00 65.12 H new ATOM 0 HD3 PRO A 86 4.459 -31.437 -15.100 1.00 65.12 H new ATOM 1289 N MET A 87 6.519 -26.968 -17.247 1.00 43.33 N ATOM 1290 CA MET A 87 6.979 -26.229 -18.417 1.00 1.42 C ATOM 1291 C MET A 87 8.378 -25.664 -18.188 1.00 55.04 C ATOM 1292 O MET A 87 9.145 -25.476 -19.133 1.00 10.13 O ATOM 1293 CB MET A 87 6.007 -25.095 -18.747 1.00 20.04 C ATOM 1294 CG MET A 87 4.830 -25.535 -19.604 1.00 72.24 C ATOM 1295 SD MET A 87 4.225 -24.219 -20.678 1.00 22.31 S ATOM 1296 CE MET A 87 2.512 -24.706 -20.876 1.00 35.42 C ATOM 0 H MET A 87 6.096 -26.389 -16.522 1.00 43.33 H new ATOM 0 HA MET A 87 7.018 -26.920 -19.259 1.00 1.42 H new ATOM 0 HB2 MET A 87 5.630 -24.668 -17.818 1.00 20.04 H new ATOM 0 HB3 MET A 87 6.548 -24.303 -19.265 1.00 20.04 H new ATOM 0 HG2 MET A 87 5.128 -26.388 -20.213 1.00 72.24 H new ATOM 0 HG3 MET A 87 4.020 -25.872 -18.957 1.00 72.24 H new ATOM 0 HE1 MET A 87 2.001 -23.988 -21.518 1.00 35.42 H new ATOM 0 HE2 MET A 87 2.465 -25.696 -21.330 1.00 35.42 H new ATOM 0 HE3 MET A 87 2.026 -24.731 -19.901 1.00 35.42 H new ATOM 1306 N HIS A 88 8.704 -25.395 -16.928 1.00 0.52 N ATOM 1307 CA HIS A 88 10.011 -24.851 -16.576 1.00 51.21 C ATOM 1308 C HIS A 88 10.615 -25.611 -15.398 1.00 23.12 C ATOM 1309 O HIS A 88 10.012 -25.699 -14.330 1.00 50.35 O ATOM 1310 CB HIS A 88 9.893 -23.366 -16.233 1.00 24.12 C ATOM 1311 CG HIS A 88 9.888 -22.472 -17.435 1.00 62.11 C ATOM 1312 ND1 HIS A 88 10.841 -22.545 -18.430 1.00 74.54 N ATOM 1313 CD2 HIS A 88 9.039 -21.484 -17.801 1.00 20.22 C ATOM 1314 CE1 HIS A 88 10.578 -21.638 -19.354 1.00 21.10 C ATOM 1315 NE2 HIS A 88 9.489 -20.981 -18.996 1.00 3.14 N ATOM 0 H HIS A 88 8.082 -25.545 -16.134 1.00 0.52 H new ATOM 0 HA HIS A 88 10.670 -24.966 -17.437 1.00 51.21 H new ATOM 0 HB2 HIS A 88 8.976 -23.204 -15.666 1.00 24.12 H new ATOM 0 HB3 HIS A 88 10.722 -23.084 -15.584 1.00 24.12 H new ATOM 0 HD2 HIS A 88 8.169 -21.153 -17.254 1.00 20.22 H new ATOM 0 HE1 HIS A 88 11.155 -21.463 -20.250 1.00 21.10 H new ATOM 0 HE2 HIS A 88 9.054 -20.223 -19.522 1.00 3.14 H new ATOM 1323 N GLU A 89 11.810 -26.157 -15.604 1.00 53.32 N ATOM 1324 CA GLU A 89 12.494 -26.910 -14.559 1.00 13.34 C ATOM 1325 C GLU A 89 12.656 -26.067 -13.298 1.00 2.34 C ATOM 1326 O GLU A 89 12.221 -26.459 -12.214 1.00 33.31 O ATOM 1327 CB GLU A 89 13.865 -27.378 -15.051 1.00 13.54 C ATOM 1328 CG GLU A 89 13.794 -28.519 -16.052 1.00 22.51 C ATOM 1329 CD GLU A 89 15.146 -28.848 -16.658 1.00 44.10 C ATOM 1330 OE1 GLU A 89 15.561 -28.138 -17.598 1.00 63.34 O ATOM 1331 OE2 GLU A 89 15.786 -29.814 -16.195 1.00 31.10 O1- ATOM 0 H GLU A 89 12.323 -26.092 -16.483 1.00 53.32 H new ATOM 0 HA GLU A 89 11.885 -27.781 -14.318 1.00 13.34 H new ATOM 0 HB2 GLU A 89 14.385 -26.536 -15.508 1.00 13.54 H new ATOM 0 HB3 GLU A 89 14.461 -27.693 -14.195 1.00 13.54 H new ATOM 0 HG2 GLU A 89 13.395 -29.406 -15.559 1.00 22.51 H new ATOM 0 HG3 GLU A 89 13.097 -28.256 -16.848 1.00 22.51 H new ATOM 1338 N HIS A 90 13.284 -24.905 -13.446 1.00 12.33 N ATOM 1339 CA HIS A 90 13.505 -24.005 -12.319 1.00 64.04 C ATOM 1340 C HIS A 90 13.667 -22.565 -12.797 1.00 64.34 C ATOM 1341 O HIS A 90 13.883 -22.316 -13.982 1.00 61.10 O ATOM 1342 CB HIS A 90 14.742 -24.435 -11.529 1.00 14.33 C ATOM 1343 CG HIS A 90 15.922 -24.755 -12.393 1.00 22.52 C ATOM 1344 ND1 HIS A 90 16.466 -26.018 -12.488 1.00 21.34 N ATOM 1345 CD2 HIS A 90 16.664 -23.966 -13.205 1.00 24.13 C ATOM 1346 CE1 HIS A 90 17.491 -25.992 -13.321 1.00 42.11 C ATOM 1347 NE2 HIS A 90 17.633 -24.759 -13.770 1.00 64.31 N ATOM 0 H HIS A 90 13.649 -24.564 -14.335 1.00 12.33 H new ATOM 0 HA HIS A 90 12.632 -24.057 -11.668 1.00 64.04 H new ATOM 0 HB2 HIS A 90 15.015 -23.640 -10.835 1.00 14.33 H new ATOM 0 HB3 HIS A 90 14.494 -25.310 -10.929 1.00 14.33 H new ATOM 0 HD2 HIS A 90 16.521 -22.909 -13.377 1.00 24.13 H new ATOM 0 HE1 HIS A 90 18.108 -26.837 -13.589 1.00 42.11 H new ATOM 0 HE2 HIS A 90 18.346 -24.446 -14.429 1.00 64.31 H new ATOM 1355 N ALA A 91 13.560 -21.623 -11.867 1.00 30.43 N ATOM 1356 CA ALA A 91 13.696 -20.209 -12.193 1.00 4.31 C ATOM 1357 C ALA A 91 14.948 -19.616 -11.553 1.00 13.54 C ATOM 1358 O ALA A 91 15.080 -19.596 -10.331 1.00 55.12 O ATOM 1359 CB ALA A 91 12.460 -19.443 -11.747 1.00 53.12 C ATOM 0 H ALA A 91 13.379 -21.813 -10.881 1.00 30.43 H new ATOM 0 HA ALA A 91 13.795 -20.119 -13.275 1.00 4.31 H new ATOM 0 HB1 ALA A 91 12.576 -18.388 -11.997 1.00 53.12 H new ATOM 0 HB2 ALA A 91 11.582 -19.842 -12.255 1.00 53.12 H new ATOM 0 HB3 ALA A 91 12.335 -19.549 -10.669 1.00 53.12 H new ATOM 1365 N GLU A 92 15.862 -19.135 -12.389 1.00 71.53 N ATOM 1366 CA GLU A 92 17.104 -18.543 -11.904 1.00 22.11 C ATOM 1367 C GLU A 92 17.142 -17.045 -12.194 1.00 21.04 C ATOM 1368 O GLU A 92 16.859 -16.610 -13.311 1.00 35.42 O ATOM 1369 CB GLU A 92 18.309 -19.229 -12.550 1.00 20.12 C ATOM 1370 CG GLU A 92 18.208 -20.745 -12.567 1.00 3.34 C ATOM 1371 CD GLU A 92 19.486 -21.408 -13.042 1.00 5.13 C ATOM 1372 OE1 GLU A 92 20.569 -20.816 -12.851 1.00 51.43 O ATOM 1373 OE2 GLU A 92 19.405 -22.521 -13.604 1.00 1.44 O1- ATOM 0 H GLU A 92 15.767 -19.143 -13.404 1.00 71.53 H new ATOM 0 HA GLU A 92 17.148 -18.688 -10.825 1.00 22.11 H new ATOM 0 HB2 GLU A 92 18.416 -18.869 -13.573 1.00 20.12 H new ATOM 0 HB3 GLU A 92 19.212 -18.939 -12.013 1.00 20.12 H new ATOM 0 HG2 GLU A 92 17.969 -21.101 -11.565 1.00 3.34 H new ATOM 0 HG3 GLU A 92 17.385 -21.044 -13.216 1.00 3.34 H new ATOM 1380 N VAL A 93 17.493 -16.260 -11.180 1.00 13.33 N ATOM 1381 CA VAL A 93 17.570 -14.812 -11.324 1.00 70.50 C ATOM 1382 C VAL A 93 18.807 -14.255 -10.630 1.00 3.53 C ATOM 1383 O VAL A 93 19.219 -14.749 -9.581 1.00 12.13 O ATOM 1384 CB VAL A 93 16.318 -14.123 -10.749 1.00 51.30 C ATOM 1385 CG1 VAL A 93 16.420 -12.614 -10.902 1.00 23.41 C ATOM 1386 CG2 VAL A 93 15.061 -14.653 -11.425 1.00 45.53 C ATOM 0 H VAL A 93 17.729 -16.604 -10.249 1.00 13.33 H new ATOM 0 HA VAL A 93 17.632 -14.604 -12.392 1.00 70.50 H new ATOM 0 HB VAL A 93 16.255 -14.352 -9.685 1.00 51.30 H new ATOM 0 HG11 VAL A 93 15.526 -12.145 -10.490 1.00 23.41 H new ATOM 0 HG12 VAL A 93 17.299 -12.253 -10.367 1.00 23.41 H new ATOM 0 HG13 VAL A 93 16.508 -12.361 -11.958 1.00 23.41 H new ATOM 0 HG21 VAL A 93 14.186 -14.156 -11.007 1.00 45.53 H new ATOM 0 HG22 VAL A 93 15.113 -14.456 -12.496 1.00 45.53 H new ATOM 0 HG23 VAL A 93 14.983 -15.727 -11.257 1.00 45.53 H new ATOM 1396 N VAL A 94 19.396 -13.220 -11.222 1.00 2.22 N ATOM 1397 CA VAL A 94 20.586 -12.594 -10.659 1.00 2.02 C ATOM 1398 C VAL A 94 20.253 -11.243 -10.034 1.00 12.31 C ATOM 1399 O VAL A 94 19.543 -10.431 -10.626 1.00 50.11 O ATOM 1400 CB VAL A 94 21.675 -12.396 -11.731 1.00 14.01 C ATOM 1401 CG1 VAL A 94 22.893 -11.708 -11.132 1.00 20.21 C ATOM 1402 CG2 VAL A 94 22.059 -13.730 -12.354 1.00 30.43 C ATOM 0 H VAL A 94 19.068 -12.798 -12.091 1.00 2.22 H new ATOM 0 HA VAL A 94 20.962 -13.265 -9.887 1.00 2.02 H new ATOM 0 HB VAL A 94 21.275 -11.756 -12.517 1.00 14.01 H new ATOM 0 HG11 VAL A 94 23.652 -11.576 -11.903 1.00 20.21 H new ATOM 0 HG12 VAL A 94 22.603 -10.734 -10.737 1.00 20.21 H new ATOM 0 HG13 VAL A 94 23.297 -12.320 -10.326 1.00 20.21 H new ATOM 0 HG21 VAL A 94 22.829 -13.571 -13.109 1.00 30.43 H new ATOM 0 HG22 VAL A 94 22.441 -14.396 -11.581 1.00 30.43 H new ATOM 0 HG23 VAL A 94 21.182 -14.180 -12.820 1.00 30.43 H new ATOM 1412 N PHE A 95 20.770 -11.011 -8.831 1.00 1.21 N ATOM 1413 CA PHE A 95 20.527 -9.759 -8.124 1.00 71.43 C ATOM 1414 C PHE A 95 21.842 -9.092 -7.733 1.00 71.25 C ATOM 1415 O PHE A 95 22.693 -9.701 -7.084 1.00 40.21 O ATOM 1416 CB PHE A 95 19.679 -10.012 -6.876 1.00 71.11 C ATOM 1417 CG PHE A 95 18.429 -10.799 -7.149 1.00 42.22 C ATOM 1418 CD1 PHE A 95 18.469 -12.181 -7.228 1.00 51.32 C ATOM 1419 CD2 PHE A 95 17.215 -10.156 -7.327 1.00 41.22 C ATOM 1420 CE1 PHE A 95 17.321 -12.908 -7.480 1.00 43.10 C ATOM 1421 CE2 PHE A 95 16.063 -10.877 -7.579 1.00 42.40 C ATOM 1422 CZ PHE A 95 16.115 -12.255 -7.655 1.00 23.11 C ATOM 0 H PHE A 95 21.359 -11.673 -8.326 1.00 1.21 H new ATOM 0 HA PHE A 95 19.986 -9.090 -8.793 1.00 71.43 H new ATOM 0 HB2 PHE A 95 20.281 -10.545 -6.140 1.00 71.11 H new ATOM 0 HB3 PHE A 95 19.406 -9.055 -6.432 1.00 71.11 H new ATOM 0 HD1 PHE A 95 19.408 -12.697 -7.091 1.00 51.32 H new ATOM 0 HD2 PHE A 95 17.168 -9.079 -7.268 1.00 41.22 H new ATOM 0 HE1 PHE A 95 17.366 -13.985 -7.540 1.00 43.10 H new ATOM 0 HE2 PHE A 95 15.123 -10.363 -7.716 1.00 42.40 H new ATOM 0 HZ PHE A 95 15.216 -12.821 -7.851 1.00 23.11 H new ATOM 1432 N THR A 96 22.003 -7.835 -8.134 1.00 53.44 N ATOM 1433 CA THR A 96 23.214 -7.084 -7.827 1.00 53.12 C ATOM 1434 C THR A 96 22.998 -6.155 -6.638 1.00 30.54 C ATOM 1435 O THR A 96 22.044 -5.379 -6.609 1.00 64.13 O ATOM 1436 CB THR A 96 23.680 -6.251 -9.037 1.00 32.55 C ATOM 1437 OG1 THR A 96 23.891 -7.106 -10.167 1.00 35.50 O ATOM 1438 CG2 THR A 96 24.964 -5.501 -8.716 1.00 22.52 C ATOM 0 H THR A 96 21.310 -7.315 -8.672 1.00 53.44 H new ATOM 0 HA THR A 96 23.985 -7.814 -7.579 1.00 53.12 H new ATOM 0 HB THR A 96 22.902 -5.524 -9.271 1.00 32.55 H new ATOM 0 HG1 THR A 96 24.185 -6.570 -10.933 1.00 35.50 H new ATOM 0 HG21 THR A 96 25.273 -4.920 -9.585 1.00 22.52 H new ATOM 0 HG22 THR A 96 24.793 -4.831 -7.874 1.00 22.52 H new ATOM 0 HG23 THR A 96 25.747 -6.214 -8.459 1.00 22.52 H new ATOM 1446 N ALA A 97 23.893 -6.237 -5.659 1.00 62.01 N ATOM 1447 CA ALA A 97 23.802 -5.400 -4.469 1.00 43.35 C ATOM 1448 C ALA A 97 24.960 -4.410 -4.404 1.00 12.42 C ATOM 1449 O ALA A 97 26.007 -4.625 -5.013 1.00 52.21 O ATOM 1450 CB ALA A 97 23.774 -6.265 -3.218 1.00 10.43 C ATOM 0 H ALA A 97 24.689 -6.874 -5.667 1.00 62.01 H new ATOM 0 HA ALA A 97 22.875 -4.830 -4.525 1.00 43.35 H new ATOM 0 HB1 ALA A 97 23.706 -5.628 -2.336 1.00 10.43 H new ATOM 0 HB2 ALA A 97 22.910 -6.928 -3.254 1.00 10.43 H new ATOM 0 HB3 ALA A 97 24.686 -6.860 -3.166 1.00 10.43 H new ATOM 1456 N ASN A 98 24.764 -3.326 -3.661 1.00 22.42 N ATOM 1457 CA ASN A 98 25.792 -2.301 -3.518 1.00 70.24 C ATOM 1458 C ASN A 98 26.080 -2.023 -2.046 1.00 0.21 C ATOM 1459 O ASN A 98 25.496 -2.646 -1.160 1.00 44.32 O ATOM 1460 CB ASN A 98 25.358 -1.012 -4.217 1.00 53.32 C ATOM 1461 CG ASN A 98 23.877 -0.731 -4.044 1.00 65.42 C ATOM 1462 OD1 ASN A 98 23.457 -0.155 -3.040 1.00 61.01 O ATOM 1463 ND2 ASN A 98 23.079 -1.136 -5.025 1.00 50.32 N ATOM 0 H ASN A 98 23.903 -3.134 -3.149 1.00 22.42 H new ATOM 0 HA ASN A 98 26.705 -2.669 -3.986 1.00 70.24 H new ATOM 0 HB2 ASN A 98 25.933 -0.175 -3.820 1.00 53.32 H new ATOM 0 HB3 ASN A 98 25.590 -1.082 -5.280 1.00 53.32 H new ATOM 0 HD21 ASN A 98 22.074 -0.973 -4.965 1.00 50.32 H new ATOM 0 HD22 ASN A 98 23.471 -1.610 -5.839 1.00 50.32 H new ATOM 1470 N ASP A 99 26.984 -1.082 -1.794 1.00 15.12 N ATOM 1471 CA ASP A 99 27.349 -0.718 -0.430 1.00 4.24 C ATOM 1472 C ASP A 99 26.185 -0.034 0.280 1.00 73.21 C ATOM 1473 O ASP A 99 26.044 1.188 0.227 1.00 53.11 O ATOM 1474 CB ASP A 99 28.571 0.201 -0.433 1.00 62.12 C ATOM 1475 CG ASP A 99 29.234 0.288 0.927 1.00 13.14 C ATOM 1476 OD1 ASP A 99 29.953 -0.663 1.299 1.00 55.13 O ATOM 1477 OD2 ASP A 99 29.034 1.307 1.620 1.00 52.50 O1- ATOM 0 H ASP A 99 27.477 -0.558 -2.517 1.00 15.12 H new ATOM 0 HA ASP A 99 27.594 -1.633 0.110 1.00 4.24 H new ATOM 0 HB2 ASP A 99 29.294 -0.163 -1.163 1.00 62.12 H new ATOM 0 HB3 ASP A 99 28.270 1.199 -0.752 1.00 62.12 H new ATOM 1482 N SER A 100 25.352 -0.829 0.944 1.00 64.11 N ATOM 1483 CA SER A 100 24.198 -0.301 1.660 1.00 51.44 C ATOM 1484 C SER A 100 24.108 -0.897 3.062 1.00 2.13 C ATOM 1485 O SER A 100 24.410 -0.233 4.053 1.00 24.13 O ATOM 1486 CB SER A 100 22.912 -0.594 0.886 1.00 72.33 C ATOM 1487 OG SER A 100 21.767 -0.345 1.684 1.00 61.25 O ATOM 0 H SER A 100 25.456 -1.842 1.001 1.00 64.11 H new ATOM 0 HA SER A 100 24.321 0.778 1.750 1.00 51.44 H new ATOM 0 HB2 SER A 100 22.875 0.024 -0.011 1.00 72.33 H new ATOM 0 HB3 SER A 100 22.911 -1.633 0.557 1.00 72.33 H new ATOM 0 HG SER A 100 21.097 -1.042 1.521 1.00 61.25 H new ATOM 1493 N GLY A 101 23.690 -2.158 3.137 1.00 42.21 N ATOM 1494 CA GLY A 101 23.567 -2.824 4.419 1.00 53.22 C ATOM 1495 C GLY A 101 22.183 -3.396 4.646 1.00 10.13 C ATOM 1496 O GLY A 101 21.231 -3.074 3.934 1.00 41.01 O ATOM 0 H GLY A 101 23.435 -2.729 2.331 1.00 42.21 H new ATOM 0 HA2 GLY A 101 24.302 -3.626 4.480 1.00 53.22 H new ATOM 0 HA3 GLY A 101 23.799 -2.117 5.216 1.00 53.22 H new ATOM 1500 N PRO A 102 22.056 -4.269 5.656 1.00 72.31 N ATOM 1501 CA PRO A 102 20.781 -4.907 5.996 1.00 62.41 C ATOM 1502 C PRO A 102 19.781 -3.922 6.592 1.00 55.41 C ATOM 1503 O PRO A 102 20.048 -3.295 7.617 1.00 30.03 O ATOM 1504 CB PRO A 102 21.177 -5.960 7.034 1.00 3.05 C ATOM 1505 CG PRO A 102 22.433 -5.440 7.642 1.00 21.03 C ATOM 1506 CD PRO A 102 23.148 -4.700 6.545 1.00 22.35 C ATOM 0 HA PRO A 102 20.285 -5.320 5.118 1.00 62.41 H new ATOM 0 HB2 PRO A 102 20.397 -6.088 7.785 1.00 3.05 H new ATOM 0 HB3 PRO A 102 21.336 -6.933 6.570 1.00 3.05 H new ATOM 0 HG2 PRO A 102 22.216 -4.779 8.481 1.00 21.03 H new ATOM 0 HG3 PRO A 102 23.046 -6.254 8.028 1.00 21.03 H new ATOM 0 HD2 PRO A 102 23.709 -3.850 6.933 1.00 22.35 H new ATOM 0 HD3 PRO A 102 23.860 -5.341 6.025 1.00 22.35 H new ATOM 1514 N ARG A 103 18.628 -3.791 5.943 1.00 52.42 N ATOM 1515 CA ARG A 103 17.588 -2.882 6.410 1.00 64.24 C ATOM 1516 C ARG A 103 16.215 -3.541 6.334 1.00 1.20 C ATOM 1517 O ARG A 103 15.643 -3.927 7.355 1.00 43.01 O ATOM 1518 CB ARG A 103 17.595 -1.597 5.578 1.00 21.14 C ATOM 1519 CG ARG A 103 18.569 -0.547 6.088 1.00 71.15 C ATOM 1520 CD ARG A 103 17.911 0.380 7.098 1.00 40.02 C ATOM 1521 NE ARG A 103 17.788 -0.243 8.414 1.00 23.44 N ATOM 1522 CZ ARG A 103 18.813 -0.424 9.239 1.00 72.30 C ATOM 1523 NH1 ARG A 103 20.029 -0.031 8.888 1.00 12.31 N1+ ATOM 1524 NH2 ARG A 103 18.622 -0.998 10.420 1.00 23.55 N ATOM 0 H ARG A 103 18.391 -4.303 5.093 1.00 52.42 H new ATOM 0 HA ARG A 103 17.796 -2.636 7.451 1.00 64.24 H new ATOM 0 HB2 ARG A 103 17.847 -1.843 4.546 1.00 21.14 H new ATOM 0 HB3 ARG A 103 16.590 -1.175 5.569 1.00 21.14 H new ATOM 0 HG2 ARG A 103 19.427 -1.038 6.548 1.00 71.15 H new ATOM 0 HG3 ARG A 103 18.948 0.037 5.249 1.00 71.15 H new ATOM 0 HD2 ARG A 103 18.495 1.296 7.184 1.00 40.02 H new ATOM 0 HD3 ARG A 103 16.922 0.665 6.738 1.00 40.02 H new ATOM 0 HE ARG A 103 16.865 -0.556 8.715 1.00 23.44 H new ATOM 0 HH11 ARG A 103 20.180 0.412 7.982 1.00 12.31 H new ATOM 0 HH12 ARG A 103 20.814 -0.172 9.524 1.00 12.31 H new ATOM 0 HH21 ARG A 103 17.687 -1.301 10.695 1.00 23.55 H new ATOM 0 HH22 ARG A 103 19.410 -1.137 11.053 1.00 23.55 H new ATOM 1538 N ARG A 104 15.691 -3.669 5.120 1.00 42.23 N ATOM 1539 CA ARG A 104 14.384 -4.281 4.911 1.00 3.34 C ATOM 1540 C ARG A 104 14.037 -4.330 3.426 1.00 11.24 C ATOM 1541 O ARG A 104 13.599 -3.337 2.846 1.00 3.33 O ATOM 1542 CB ARG A 104 13.307 -3.504 5.672 1.00 1.21 C ATOM 1543 CG ARG A 104 13.416 -1.997 5.513 1.00 52.32 C ATOM 1544 CD ARG A 104 12.397 -1.270 6.375 1.00 23.35 C ATOM 1545 NE ARG A 104 12.885 -1.052 7.734 1.00 23.43 N ATOM 1546 CZ ARG A 104 13.751 -0.098 8.059 1.00 61.22 C ATOM 1547 NH1 ARG A 104 14.221 0.721 7.127 1.00 21.23 N1+ ATOM 1548 NH2 ARG A 104 14.149 0.038 9.317 1.00 61.40 N ATOM 0 H ARG A 104 16.152 -3.357 4.265 1.00 42.23 H new ATOM 0 HA ARG A 104 14.424 -5.302 5.291 1.00 3.34 H new ATOM 0 HB2 ARG A 104 12.325 -3.827 5.326 1.00 1.21 H new ATOM 0 HB3 ARG A 104 13.370 -3.755 6.731 1.00 1.21 H new ATOM 0 HG2 ARG A 104 14.421 -1.673 5.785 1.00 52.32 H new ATOM 0 HG3 ARG A 104 13.267 -1.729 4.467 1.00 52.32 H new ATOM 0 HD2 ARG A 104 12.155 -0.310 5.919 1.00 23.35 H new ATOM 0 HD3 ARG A 104 11.474 -1.848 6.410 1.00 23.35 H new ATOM 0 HE ARG A 104 12.543 -1.665 8.474 1.00 23.43 H new ATOM 0 HH11 ARG A 104 13.918 0.619 6.158 1.00 21.23 H new ATOM 0 HH12 ARG A 104 14.886 1.453 7.379 1.00 21.23 H new ATOM 0 HH21 ARG A 104 13.790 -0.590 10.036 1.00 61.40 H new ATOM 0 HH22 ARG A 104 14.814 0.771 9.565 1.00 61.40 H new ATOM 1562 N TYR A 105 14.238 -5.493 2.816 1.00 64.52 N ATOM 1563 CA TYR A 105 13.949 -5.672 1.398 1.00 43.23 C ATOM 1564 C TYR A 105 13.409 -7.072 1.124 1.00 12.34 C ATOM 1565 O TYR A 105 13.999 -8.071 1.536 1.00 73.32 O ATOM 1566 CB TYR A 105 15.209 -5.427 0.565 1.00 4.01 C ATOM 1567 CG TYR A 105 15.957 -4.171 0.953 1.00 12.10 C ATOM 1568 CD1 TYR A 105 15.568 -2.930 0.465 1.00 71.31 C ATOM 1569 CD2 TYR A 105 17.052 -4.227 1.806 1.00 32.04 C ATOM 1570 CE1 TYR A 105 16.249 -1.780 0.816 1.00 24.24 C ATOM 1571 CE2 TYR A 105 17.737 -3.082 2.163 1.00 72.42 C ATOM 1572 CZ TYR A 105 17.332 -1.861 1.665 1.00 22.41 C ATOM 1573 OH TYR A 105 18.012 -0.718 2.018 1.00 41.31 O ATOM 0 H TYR A 105 14.600 -6.326 3.281 1.00 64.52 H new ATOM 0 HA TYR A 105 13.186 -4.947 1.114 1.00 43.23 H new ATOM 0 HB2 TYR A 105 15.875 -6.283 0.669 1.00 4.01 H new ATOM 0 HB3 TYR A 105 14.932 -5.364 -0.487 1.00 4.01 H new ATOM 0 HD1 TYR A 105 14.719 -2.863 -0.200 1.00 71.31 H new ATOM 0 HD2 TYR A 105 17.373 -5.181 2.196 1.00 32.04 H new ATOM 0 HE1 TYR A 105 15.934 -0.823 0.427 1.00 24.24 H new ATOM 0 HE2 TYR A 105 18.585 -3.142 2.829 1.00 72.42 H new ATOM 0 HH TYR A 105 18.748 -0.949 2.623 1.00 41.31 H new ATOM 1583 N THR A 106 12.280 -7.138 0.424 1.00 61.33 N ATOM 1584 CA THR A 106 11.658 -8.413 0.094 1.00 12.11 C ATOM 1585 C THR A 106 11.494 -8.572 -1.413 1.00 32.31 C ATOM 1586 O THR A 106 11.221 -7.604 -2.122 1.00 11.53 O ATOM 1587 CB THR A 106 10.279 -8.556 0.767 1.00 42.34 C ATOM 1588 OG1 THR A 106 10.420 -8.495 2.190 1.00 34.34 O ATOM 1589 CG2 THR A 106 9.620 -9.869 0.374 1.00 20.22 C ATOM 0 H THR A 106 11.778 -6.322 0.075 1.00 61.33 H new ATOM 0 HA THR A 106 12.320 -9.194 0.469 1.00 12.11 H new ATOM 0 HB THR A 106 9.647 -7.735 0.429 1.00 42.34 H new ATOM 0 HG1 THR A 106 9.539 -8.585 2.610 1.00 34.34 H new ATOM 0 HG21 THR A 106 8.648 -9.948 0.861 1.00 20.22 H new ATOM 0 HG22 THR A 106 9.488 -9.900 -0.708 1.00 20.22 H new ATOM 0 HG23 THR A 106 10.251 -10.701 0.687 1.00 20.22 H new ATOM 1597 N ILE A 107 11.663 -9.799 -1.896 1.00 71.42 N ATOM 1598 CA ILE A 107 11.531 -10.083 -3.320 1.00 74.04 C ATOM 1599 C ILE A 107 10.267 -10.885 -3.606 1.00 33.14 C ATOM 1600 O ILE A 107 10.155 -12.047 -3.215 1.00 43.14 O ATOM 1601 CB ILE A 107 12.749 -10.860 -3.853 1.00 63.22 C ATOM 1602 CG1 ILE A 107 14.047 -10.151 -3.457 1.00 62.44 C ATOM 1603 CG2 ILE A 107 12.663 -11.010 -5.365 1.00 32.41 C ATOM 1604 CD1 ILE A 107 14.126 -8.720 -3.939 1.00 2.32 C ATOM 0 H ILE A 107 11.891 -10.611 -1.323 1.00 71.42 H new ATOM 0 HA ILE A 107 11.471 -9.121 -3.829 1.00 74.04 H new ATOM 0 HB ILE A 107 12.749 -11.855 -3.408 1.00 63.22 H new ATOM 0 HG12 ILE A 107 14.143 -10.166 -2.371 1.00 62.44 H new ATOM 0 HG13 ILE A 107 14.893 -10.708 -3.859 1.00 62.44 H new ATOM 0 HG21 ILE A 107 13.531 -11.561 -5.726 1.00 32.41 H new ATOM 0 HG22 ILE A 107 11.754 -11.553 -5.626 1.00 32.41 H new ATOM 0 HG23 ILE A 107 12.642 -10.023 -5.828 1.00 32.41 H new ATOM 0 HD11 ILE A 107 15.072 -8.281 -3.622 1.00 2.32 H new ATOM 0 HD12 ILE A 107 14.062 -8.698 -5.027 1.00 2.32 H new ATOM 0 HD13 ILE A 107 13.301 -8.147 -3.516 1.00 2.32 H new ATOM 1616 N ALA A 108 9.317 -10.257 -4.291 1.00 44.40 N ATOM 1617 CA ALA A 108 8.061 -10.913 -4.633 1.00 61.41 C ATOM 1618 C ALA A 108 8.107 -11.486 -6.045 1.00 62.14 C ATOM 1619 O ALA A 108 8.208 -10.745 -7.023 1.00 70.45 O ATOM 1620 CB ALA A 108 6.901 -9.939 -4.494 1.00 74.04 C ATOM 0 H ALA A 108 9.393 -9.295 -4.620 1.00 44.40 H new ATOM 0 HA ALA A 108 7.912 -11.740 -3.939 1.00 61.41 H new ATOM 0 HB1 ALA A 108 5.970 -10.443 -4.753 1.00 74.04 H new ATOM 0 HB2 ALA A 108 6.847 -9.582 -3.466 1.00 74.04 H new ATOM 0 HB3 ALA A 108 7.054 -9.093 -5.164 1.00 74.04 H new ATOM 1626 N ALA A 109 8.035 -12.809 -6.145 1.00 63.14 N ATOM 1627 CA ALA A 109 8.068 -13.480 -7.439 1.00 74.21 C ATOM 1628 C ALA A 109 6.867 -14.406 -7.607 1.00 35.54 C ATOM 1629 O ALA A 109 6.527 -15.168 -6.702 1.00 62.10 O ATOM 1630 CB ALA A 109 9.365 -14.261 -7.596 1.00 25.13 C ATOM 0 H ALA A 109 7.953 -13.437 -5.346 1.00 63.14 H new ATOM 0 HA ALA A 109 8.019 -12.718 -8.217 1.00 74.21 H new ATOM 0 HB1 ALA A 109 9.376 -14.757 -8.567 1.00 25.13 H new ATOM 0 HB2 ALA A 109 10.212 -13.578 -7.528 1.00 25.13 H new ATOM 0 HB3 ALA A 109 9.438 -15.008 -6.806 1.00 25.13 H new ATOM 1636 N MET A 110 6.229 -14.334 -8.771 1.00 70.32 N ATOM 1637 CA MET A 110 5.067 -15.167 -9.058 1.00 45.12 C ATOM 1638 C MET A 110 5.426 -16.285 -10.031 1.00 15.33 C ATOM 1639 O MET A 110 6.271 -16.110 -10.909 1.00 41.41 O ATOM 1640 CB MET A 110 3.933 -14.317 -9.635 1.00 74.03 C ATOM 1641 CG MET A 110 3.178 -13.518 -8.584 1.00 13.10 C ATOM 1642 SD MET A 110 1.430 -13.323 -8.985 1.00 31.04 S ATOM 1643 CE MET A 110 0.674 -14.280 -7.675 1.00 0.14 C ATOM 0 H MET A 110 6.497 -13.708 -9.530 1.00 70.32 H new ATOM 0 HA MET A 110 4.734 -15.617 -8.123 1.00 45.12 H new ATOM 0 HB2 MET A 110 4.344 -13.631 -10.375 1.00 74.03 H new ATOM 0 HB3 MET A 110 3.232 -14.967 -10.158 1.00 74.03 H new ATOM 0 HG2 MET A 110 3.272 -14.014 -7.618 1.00 13.10 H new ATOM 0 HG3 MET A 110 3.636 -12.534 -8.483 1.00 13.10 H new ATOM 0 HE1 MET A 110 -0.357 -14.511 -7.942 1.00 0.14 H new ATOM 0 HE2 MET A 110 1.229 -15.207 -7.535 1.00 0.14 H new ATOM 0 HE3 MET A 110 0.689 -13.705 -6.749 1.00 0.14 H new ATOM 1653 N LEU A 111 4.779 -17.434 -9.869 1.00 31.10 N ATOM 1654 CA LEU A 111 5.031 -18.582 -10.733 1.00 3.04 C ATOM 1655 C LEU A 111 3.914 -18.746 -11.759 1.00 63.32 C ATOM 1656 O LEU A 111 2.734 -18.627 -11.431 1.00 10.01 O ATOM 1657 CB LEU A 111 5.163 -19.856 -9.898 1.00 34.42 C ATOM 1658 CG LEU A 111 6.585 -20.257 -9.505 1.00 22.01 C ATOM 1659 CD1 LEU A 111 7.384 -19.037 -9.072 1.00 40.44 C ATOM 1660 CD2 LEU A 111 6.558 -21.300 -8.397 1.00 11.55 C ATOM 0 H LEU A 111 4.076 -17.595 -9.148 1.00 31.10 H new ATOM 0 HA LEU A 111 5.966 -18.406 -11.265 1.00 3.04 H new ATOM 0 HB2 LEU A 111 4.577 -19.732 -8.987 1.00 34.42 H new ATOM 0 HB3 LEU A 111 4.716 -20.679 -10.455 1.00 34.42 H new ATOM 0 HG LEU A 111 7.072 -20.694 -10.376 1.00 22.01 H new ATOM 0 HD11 LEU A 111 8.393 -19.342 -8.796 1.00 40.44 H new ATOM 0 HD12 LEU A 111 7.433 -18.323 -9.894 1.00 40.44 H new ATOM 0 HD13 LEU A 111 6.899 -18.570 -8.215 1.00 40.44 H new ATOM 0 HD21 LEU A 111 7.579 -21.574 -8.130 1.00 11.55 H new ATOM 0 HD22 LEU A 111 6.052 -20.890 -7.523 1.00 11.55 H new ATOM 0 HD23 LEU A 111 6.024 -22.185 -8.743 1.00 11.55 H new ATOM 1672 N SER A 112 4.294 -19.022 -13.003 1.00 73.51 N ATOM 1673 CA SER A 112 3.325 -19.201 -14.077 1.00 51.32 C ATOM 1674 C SER A 112 3.734 -20.352 -14.991 1.00 24.21 C ATOM 1675 O SER A 112 4.551 -20.197 -15.899 1.00 14.52 O ATOM 1676 CB SER A 112 3.189 -17.913 -14.889 1.00 2.41 C ATOM 1677 OG SER A 112 4.351 -17.110 -14.772 1.00 5.42 O ATOM 0 H SER A 112 5.267 -19.126 -13.291 1.00 73.51 H new ATOM 0 HA SER A 112 2.361 -19.442 -13.628 1.00 51.32 H new ATOM 0 HB2 SER A 112 3.016 -18.157 -15.937 1.00 2.41 H new ATOM 0 HB3 SER A 112 2.320 -17.353 -14.545 1.00 2.41 H new ATOM 0 HG SER A 112 4.747 -16.977 -15.658 1.00 5.42 H new ATOM 1683 N PRO A 113 3.153 -21.536 -14.748 1.00 54.43 N ATOM 1684 CA PRO A 113 3.441 -22.737 -15.537 1.00 23.13 C ATOM 1685 C PRO A 113 2.885 -22.646 -16.954 1.00 42.52 C ATOM 1686 O PRO A 113 3.271 -23.416 -17.834 1.00 32.13 O ATOM 1687 CB PRO A 113 2.739 -23.851 -14.758 1.00 11.42 C ATOM 1688 CG PRO A 113 1.646 -23.163 -14.014 1.00 14.31 C ATOM 1689 CD PRO A 113 2.171 -21.794 -13.681 1.00 11.21 C ATOM 0 HA PRO A 113 4.512 -22.896 -15.661 1.00 23.13 H new ATOM 0 HB2 PRO A 113 2.342 -24.613 -15.428 1.00 11.42 H new ATOM 0 HB3 PRO A 113 3.427 -24.352 -14.077 1.00 11.42 H new ATOM 0 HG2 PRO A 113 0.742 -23.098 -14.620 1.00 14.31 H new ATOM 0 HG3 PRO A 113 1.384 -23.712 -13.109 1.00 14.31 H new ATOM 0 HD2 PRO A 113 1.376 -21.049 -13.678 1.00 11.21 H new ATOM 0 HD3 PRO A 113 2.634 -21.770 -12.694 1.00 11.21 H new ATOM 1697 N TYR A 114 1.977 -21.700 -17.168 1.00 23.21 N ATOM 1698 CA TYR A 114 1.365 -21.509 -18.478 1.00 4.41 C ATOM 1699 C TYR A 114 1.957 -20.293 -19.183 1.00 5.12 C ATOM 1700 O TYR A 114 2.680 -20.426 -20.171 1.00 62.34 O ATOM 1701 CB TYR A 114 -0.149 -21.346 -18.339 1.00 10.22 C ATOM 1702 CG TYR A 114 -0.774 -22.304 -17.348 1.00 42.23 C ATOM 1703 CD1 TYR A 114 -0.533 -23.669 -17.427 1.00 54.30 C ATOM 1704 CD2 TYR A 114 -1.603 -21.841 -16.334 1.00 64.23 C ATOM 1705 CE1 TYR A 114 -1.102 -24.547 -16.525 1.00 2.11 C ATOM 1706 CE2 TYR A 114 -2.174 -22.711 -15.426 1.00 70.43 C ATOM 1707 CZ TYR A 114 -1.921 -24.064 -15.526 1.00 23.21 C ATOM 1708 OH TYR A 114 -2.489 -24.935 -14.624 1.00 44.10 O ATOM 0 H TYR A 114 1.648 -21.053 -16.451 1.00 23.21 H new ATOM 0 HA TYR A 114 1.574 -22.393 -19.081 1.00 4.41 H new ATOM 0 HB2 TYR A 114 -0.369 -20.324 -18.031 1.00 10.22 H new ATOM 0 HB3 TYR A 114 -0.613 -21.492 -19.315 1.00 10.22 H new ATOM 0 HD1 TYR A 114 0.110 -24.051 -18.206 1.00 54.30 H new ATOM 0 HD2 TYR A 114 -1.804 -20.783 -16.254 1.00 64.23 H new ATOM 0 HE1 TYR A 114 -0.906 -25.606 -16.602 1.00 2.11 H new ATOM 0 HE2 TYR A 114 -2.815 -22.335 -14.642 1.00 70.43 H new ATOM 0 HH TYR A 114 -3.037 -24.433 -13.985 1.00 44.10 H new ATOM 1718 N SER A 115 1.644 -19.109 -18.668 1.00 54.30 N ATOM 1719 CA SER A 115 2.141 -17.867 -19.250 1.00 50.32 C ATOM 1720 C SER A 115 2.035 -16.719 -18.251 1.00 24.11 C ATOM 1721 O SER A 115 1.549 -16.897 -17.133 1.00 43.12 O ATOM 1722 CB SER A 115 1.362 -17.527 -20.521 1.00 73.32 C ATOM 1723 OG SER A 115 1.204 -18.670 -21.345 1.00 23.24 O ATOM 0 H SER A 115 1.049 -18.983 -17.849 1.00 54.30 H new ATOM 0 HA SER A 115 3.191 -18.008 -19.504 1.00 50.32 H new ATOM 0 HB2 SER A 115 0.383 -17.129 -20.255 1.00 73.32 H new ATOM 0 HB3 SER A 115 1.885 -16.746 -21.073 1.00 73.32 H new ATOM 0 HG SER A 115 1.979 -19.260 -21.238 1.00 23.24 H new ATOM 1729 N TYR A 116 2.490 -15.541 -18.663 1.00 51.11 N ATOM 1730 CA TYR A 116 2.449 -14.363 -17.805 1.00 44.22 C ATOM 1731 C TYR A 116 3.325 -14.557 -16.570 1.00 31.31 C ATOM 1732 O TYR A 116 2.886 -15.120 -15.567 1.00 23.43 O ATOM 1733 CB TYR A 116 1.009 -14.065 -17.381 1.00 65.40 C ATOM 1734 CG TYR A 116 0.678 -12.590 -17.358 1.00 71.35 C ATOM 1735 CD1 TYR A 116 0.258 -11.935 -18.510 1.00 61.42 C ATOM 1736 CD2 TYR A 116 0.786 -11.852 -16.187 1.00 11.14 C ATOM 1737 CE1 TYR A 116 -0.045 -10.587 -18.494 1.00 43.15 C ATOM 1738 CE2 TYR A 116 0.483 -10.504 -16.162 1.00 2.33 C ATOM 1739 CZ TYR A 116 0.068 -9.876 -17.318 1.00 73.22 C ATOM 1740 OH TYR A 116 -0.233 -8.534 -17.298 1.00 0.32 O ATOM 0 H TYR A 116 2.892 -15.377 -19.586 1.00 51.11 H new ATOM 0 HA TYR A 116 2.836 -13.517 -18.373 1.00 44.22 H new ATOM 0 HB2 TYR A 116 0.326 -14.572 -18.063 1.00 65.40 H new ATOM 0 HB3 TYR A 116 0.837 -14.483 -16.389 1.00 65.40 H new ATOM 0 HD1 TYR A 116 0.167 -12.489 -19.433 1.00 61.42 H new ATOM 0 HD2 TYR A 116 1.112 -12.340 -15.280 1.00 11.14 H new ATOM 0 HE1 TYR A 116 -0.369 -10.093 -19.398 1.00 43.15 H new ATOM 0 HE2 TYR A 116 0.571 -9.945 -15.242 1.00 2.33 H new ATOM 0 HH TYR A 116 -0.102 -8.183 -16.392 1.00 0.32 H new ATOM 1750 N SER A 117 4.564 -14.087 -16.653 1.00 62.40 N ATOM 1751 CA SER A 117 5.504 -14.211 -15.545 1.00 41.11 C ATOM 1752 C SER A 117 5.632 -12.889 -14.791 1.00 1.43 C ATOM 1753 O SER A 117 5.495 -11.813 -15.373 1.00 74.14 O ATOM 1754 CB SER A 117 6.876 -14.653 -16.058 1.00 43.31 C ATOM 1755 OG SER A 117 7.842 -14.620 -15.022 1.00 60.44 O ATOM 0 H SER A 117 4.941 -13.617 -17.476 1.00 62.40 H new ATOM 0 HA SER A 117 5.121 -14.966 -14.859 1.00 41.11 H new ATOM 0 HB2 SER A 117 6.808 -15.662 -16.464 1.00 43.31 H new ATOM 0 HB3 SER A 117 7.190 -14.002 -16.873 1.00 43.31 H new ATOM 0 HG SER A 117 8.710 -14.908 -15.375 1.00 60.44 H new ATOM 1761 N THR A 118 5.898 -12.981 -13.491 1.00 44.23 N ATOM 1762 CA THR A 118 6.045 -11.794 -12.657 1.00 62.12 C ATOM 1763 C THR A 118 7.236 -11.929 -11.715 1.00 51.22 C ATOM 1764 O THR A 118 7.403 -12.951 -11.053 1.00 52.03 O ATOM 1765 CB THR A 118 4.774 -11.532 -11.826 1.00 41.11 C ATOM 1766 OG1 THR A 118 3.710 -12.378 -12.277 1.00 53.34 O ATOM 1767 CG2 THR A 118 4.350 -10.075 -11.930 1.00 30.23 C ATOM 0 H THR A 118 6.016 -13.864 -12.994 1.00 44.23 H new ATOM 0 HA THR A 118 6.211 -10.952 -13.329 1.00 62.12 H new ATOM 0 HB THR A 118 4.997 -11.755 -10.783 1.00 41.11 H new ATOM 0 HG1 THR A 118 2.907 -12.206 -11.743 1.00 53.34 H new ATOM 0 HG21 THR A 118 3.451 -9.914 -11.335 1.00 30.23 H new ATOM 0 HG22 THR A 118 5.150 -9.436 -11.558 1.00 30.23 H new ATOM 0 HG23 THR A 118 4.145 -9.829 -12.972 1.00 30.23 H new ATOM 1775 N MET A 119 8.061 -10.888 -11.660 1.00 51.10 N ATOM 1776 CA MET A 119 9.236 -10.889 -10.797 1.00 43.42 C ATOM 1777 C MET A 119 9.549 -9.481 -10.302 1.00 2.14 C ATOM 1778 O MET A 119 9.869 -8.593 -11.091 1.00 61.44 O ATOM 1779 CB MET A 119 10.443 -11.461 -11.544 1.00 20.41 C ATOM 1780 CG MET A 119 11.626 -11.770 -10.641 1.00 61.24 C ATOM 1781 SD MET A 119 11.839 -13.538 -10.358 1.00 43.35 S ATOM 1782 CE MET A 119 12.970 -13.524 -8.970 1.00 1.53 C ATOM 0 H MET A 119 7.937 -10.033 -12.203 1.00 51.10 H new ATOM 0 HA MET A 119 9.021 -11.518 -9.933 1.00 43.42 H new ATOM 0 HB2 MET A 119 10.142 -12.373 -12.060 1.00 20.41 H new ATOM 0 HB3 MET A 119 10.756 -10.751 -12.309 1.00 20.41 H new ATOM 0 HG2 MET A 119 12.534 -11.365 -11.087 1.00 61.24 H new ATOM 0 HG3 MET A 119 11.489 -11.266 -9.684 1.00 61.24 H new ATOM 0 HE1 MET A 119 13.548 -14.448 -8.962 1.00 1.53 H new ATOM 0 HE2 MET A 119 13.646 -12.674 -9.060 1.00 1.53 H new ATOM 0 HE3 MET A 119 12.405 -13.442 -8.041 1.00 1.53 H new ATOM 1792 N ALA A 120 9.455 -9.285 -8.991 1.00 51.45 N ATOM 1793 CA ALA A 120 9.729 -7.985 -8.391 1.00 71.34 C ATOM 1794 C ALA A 120 11.078 -7.983 -7.679 1.00 72.32 C ATOM 1795 O ALA A 120 11.373 -8.876 -6.885 1.00 32.22 O ATOM 1796 CB ALA A 120 8.619 -7.606 -7.423 1.00 12.35 C ATOM 0 H ALA A 120 9.191 -10.010 -8.324 1.00 51.45 H new ATOM 0 HA ALA A 120 9.768 -7.244 -9.190 1.00 71.34 H new ATOM 0 HB1 ALA A 120 8.837 -6.633 -6.982 1.00 12.35 H new ATOM 0 HB2 ALA A 120 7.670 -7.558 -7.958 1.00 12.35 H new ATOM 0 HB3 ALA A 120 8.553 -8.355 -6.634 1.00 12.35 H new ATOM 1802 N VAL A 121 11.894 -6.975 -7.971 1.00 53.02 N ATOM 1803 CA VAL A 121 13.212 -6.857 -7.359 1.00 21.22 C ATOM 1804 C VAL A 121 13.390 -5.496 -6.695 1.00 45.24 C ATOM 1805 O VAL A 121 12.870 -4.488 -7.174 1.00 55.42 O ATOM 1806 CB VAL A 121 14.333 -7.061 -8.395 1.00 74.22 C ATOM 1807 CG1 VAL A 121 15.698 -6.975 -7.729 1.00 73.31 C ATOM 1808 CG2 VAL A 121 14.161 -8.393 -9.109 1.00 33.42 C ATOM 0 H VAL A 121 11.665 -6.229 -8.627 1.00 53.02 H new ATOM 0 HA VAL A 121 13.280 -7.639 -6.603 1.00 21.22 H new ATOM 0 HB VAL A 121 14.268 -6.266 -9.138 1.00 74.22 H new ATOM 0 HG11 VAL A 121 16.478 -7.122 -8.477 1.00 73.31 H new ATOM 0 HG12 VAL A 121 15.817 -5.994 -7.268 1.00 73.31 H new ATOM 0 HG13 VAL A 121 15.779 -7.747 -6.964 1.00 73.31 H new ATOM 0 HG21 VAL A 121 14.961 -8.521 -9.838 1.00 33.42 H new ATOM 0 HG22 VAL A 121 14.199 -9.204 -8.381 1.00 33.42 H new ATOM 0 HG23 VAL A 121 13.199 -8.410 -9.621 1.00 33.42 H new ATOM 1818 N VAL A 122 14.128 -5.474 -5.590 1.00 24.04 N ATOM 1819 CA VAL A 122 14.375 -4.236 -4.861 1.00 52.24 C ATOM 1820 C VAL A 122 15.860 -3.886 -4.861 1.00 2.02 C ATOM 1821 O VAL A 122 16.666 -4.549 -4.208 1.00 64.54 O ATOM 1822 CB VAL A 122 13.883 -4.334 -3.405 1.00 41.24 C ATOM 1823 CG1 VAL A 122 13.978 -2.981 -2.717 1.00 71.54 C ATOM 1824 CG2 VAL A 122 12.459 -4.867 -3.360 1.00 53.13 C ATOM 0 H VAL A 122 14.565 -6.299 -5.180 1.00 24.04 H new ATOM 0 HA VAL A 122 13.818 -3.451 -5.373 1.00 52.24 H new ATOM 0 HB VAL A 122 14.525 -5.032 -2.868 1.00 41.24 H new ATOM 0 HG11 VAL A 122 13.626 -3.070 -1.689 1.00 71.54 H new ATOM 0 HG12 VAL A 122 15.015 -2.644 -2.718 1.00 71.54 H new ATOM 0 HG13 VAL A 122 13.361 -2.258 -3.250 1.00 71.54 H new ATOM 0 HG21 VAL A 122 12.127 -4.930 -2.324 1.00 53.13 H new ATOM 0 HG22 VAL A 122 11.801 -4.195 -3.912 1.00 53.13 H new ATOM 0 HG23 VAL A 122 12.427 -5.858 -3.812 1.00 53.13 H new ATOM 1834 N THR A 123 16.214 -2.839 -5.599 1.00 65.41 N ATOM 1835 CA THR A 123 17.602 -2.401 -5.686 1.00 45.23 C ATOM 1836 C THR A 123 17.774 -1.003 -5.100 1.00 73.22 C ATOM 1837 O THR A 123 16.839 -0.205 -5.090 1.00 50.41 O ATOM 1838 CB THR A 123 18.100 -2.398 -7.144 1.00 11.34 C ATOM 1839 OG1 THR A 123 17.397 -1.406 -7.900 1.00 23.43 O ATOM 1840 CG2 THR A 123 17.905 -3.764 -7.784 1.00 1.51 C ATOM 0 H THR A 123 15.559 -2.279 -6.145 1.00 65.41 H new ATOM 0 HA THR A 123 18.195 -3.111 -5.109 1.00 45.23 H new ATOM 0 HB THR A 123 19.165 -2.164 -7.141 1.00 11.34 H new ATOM 0 HG1 THR A 123 17.721 -1.409 -8.825 1.00 23.43 H new ATOM 0 HG21 THR A 123 18.264 -3.738 -8.813 1.00 1.51 H new ATOM 0 HG22 THR A 123 18.465 -4.512 -7.223 1.00 1.51 H new ATOM 0 HG23 THR A 123 16.846 -4.022 -7.775 1.00 1.51 H new ATOM 1848 N ASN A 124 18.977 -0.716 -4.612 1.00 2.14 N ATOM 1849 CA ASN A 124 19.272 0.586 -4.024 1.00 14.35 C ATOM 1850 C ASN A 124 19.703 1.582 -5.096 1.00 21.24 C ATOM 1851 O ASN A 124 20.101 1.210 -6.200 1.00 34.35 O ATOM 1852 CB ASN A 124 20.368 0.453 -2.965 1.00 43.11 C ATOM 1853 CG ASN A 124 19.805 0.234 -1.574 1.00 33.41 C ATOM 1854 OD1 ASN A 124 19.068 1.071 -1.051 1.00 65.11 O ATOM 1855 ND2 ASN A 124 20.150 -0.895 -0.967 1.00 53.22 N ATOM 0 H ASN A 124 19.762 -1.367 -4.612 1.00 2.14 H new ATOM 0 HA ASN A 124 18.363 0.959 -3.552 1.00 14.35 H new ATOM 0 HB2 ASN A 124 21.021 -0.380 -3.225 1.00 43.11 H new ATOM 0 HB3 ASN A 124 20.983 1.353 -2.968 1.00 43.11 H new ATOM 0 HD21 ASN A 124 19.802 -1.097 -0.030 1.00 53.22 H new ATOM 0 HD22 ASN A 124 20.763 -1.560 -1.438 1.00 53.22 H new ATOM 1862 N PRO A 125 19.622 2.879 -4.764 1.00 1.24 N ATOM 1863 CA PRO A 125 20.001 3.956 -5.684 1.00 4.12 C ATOM 1864 C PRO A 125 21.505 4.010 -5.926 1.00 22.32 C ATOM 1865 O PRO A 125 22.277 4.352 -5.030 1.00 40.34 O ATOM 1866 CB PRO A 125 19.530 5.221 -4.962 1.00 23.43 C ATOM 1867 CG PRO A 125 19.521 4.853 -3.519 1.00 21.31 C ATOM 1868 CD PRO A 125 19.157 3.394 -3.466 1.00 10.43 C ATOM 0 HA PRO A 125 19.559 3.822 -6.672 1.00 4.12 H new ATOM 0 HB2 PRO A 125 20.201 6.059 -5.153 1.00 23.43 H new ATOM 0 HB3 PRO A 125 18.539 5.523 -5.300 1.00 23.43 H new ATOM 0 HG2 PRO A 125 20.496 5.029 -3.065 1.00 21.31 H new ATOM 0 HG3 PRO A 125 18.800 5.456 -2.967 1.00 21.31 H new ATOM 0 HD2 PRO A 125 19.647 2.888 -2.634 1.00 10.43 H new ATOM 0 HD3 PRO A 125 18.084 3.252 -3.338 1.00 10.43 H new ATOM 1876 N LYS A 126 21.916 3.672 -7.143 1.00 1.50 N ATOM 1877 CA LYS A 126 23.330 3.682 -7.505 1.00 65.42 C ATOM 1878 C LYS A 126 23.821 5.108 -7.735 1.00 33.33 C ATOM 1879 O LYS A 126 24.957 5.443 -7.402 1.00 12.21 O ATOM 1880 CB LYS A 126 23.562 2.843 -8.763 1.00 4.33 C ATOM 1881 CG LYS A 126 22.761 3.312 -9.965 1.00 21.32 C ATOM 1882 CD LYS A 126 23.547 4.304 -10.806 1.00 73.25 C ATOM 1883 CE LYS A 126 24.298 3.607 -11.931 1.00 21.43 C ATOM 1884 NZ LYS A 126 24.317 4.427 -13.174 1.00 72.12 N1+ ATOM 0 H LYS A 126 21.290 3.387 -7.897 1.00 1.50 H new ATOM 0 HA LYS A 126 23.894 3.250 -6.679 1.00 65.42 H new ATOM 0 HB2 LYS A 126 24.623 2.865 -9.013 1.00 4.33 H new ATOM 0 HB3 LYS A 126 23.306 1.805 -8.549 1.00 4.33 H new ATOM 0 HG2 LYS A 126 22.485 2.453 -10.577 1.00 21.32 H new ATOM 0 HG3 LYS A 126 21.833 3.774 -9.627 1.00 21.32 H new ATOM 0 HD2 LYS A 126 22.868 5.046 -11.225 1.00 73.25 H new ATOM 0 HD3 LYS A 126 24.254 4.840 -10.173 1.00 73.25 H new ATOM 0 HE2 LYS A 126 25.321 3.404 -11.614 1.00 21.43 H new ATOM 0 HE3 LYS A 126 23.831 2.644 -12.138 1.00 21.43 H new ATOM 0 HZ1 LYS A 126 24.837 3.919 -13.917 1.00 72.12 H new ATOM 0 HZ2 LYS A 126 23.342 4.600 -13.491 1.00 72.12 H new ATOM 0 HZ3 LYS A 126 24.785 5.336 -12.983 1.00 72.12 H new ATOM 1898 N GLU A 127 22.957 5.942 -8.304 1.00 63.52 N ATOM 1899 CA GLU A 127 23.305 7.333 -8.577 1.00 4.22 C ATOM 1900 C GLU A 127 23.717 8.052 -7.296 1.00 54.22 C ATOM 1901 O GLU A 127 23.923 9.264 -7.292 1.00 33.32 O ATOM 1902 CB GLU A 127 22.124 8.058 -9.226 1.00 12.12 C ATOM 1903 CG GLU A 127 20.810 7.864 -8.489 1.00 23.42 C ATOM 1904 CD GLU A 127 19.853 9.023 -8.687 1.00 72.31 C ATOM 1905 OE1 GLU A 127 20.267 10.179 -8.455 1.00 44.44 O1- ATOM 1906 OE2 GLU A 127 18.692 8.776 -9.072 1.00 54.12 O ATOM 0 H GLU A 127 22.012 5.680 -8.585 1.00 63.52 H new ATOM 0 HA GLU A 127 24.150 7.342 -9.265 1.00 4.22 H new ATOM 0 HB2 GLU A 127 22.347 9.124 -9.278 1.00 12.12 H new ATOM 0 HB3 GLU A 127 22.011 7.705 -10.251 1.00 12.12 H new ATOM 0 HG2 GLU A 127 20.337 6.944 -8.833 1.00 23.42 H new ATOM 0 HG3 GLU A 127 21.010 7.740 -7.425 1.00 23.42 H new TER 1913 GLU A 127