USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 858 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 38 THR OG1 : rot -76:sc= 1.08 USER MOD Set 1.2: A 71 MET CE :methyl 152:sc= -0.499 (180deg=-3.53!) USER MOD Set 2.1: A 4 SER OG : rot -2:sc= 0.981 USER MOD Set 2.2: A 55 LYS NZ :NH3+ -145:sc= 1.05 (180deg=-0.466) USER MOD Single : A 1 GLY N :NH3+ -121:sc= 0.122 (180deg=0) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= 0.00104 K(o=0.001,f=-2.7!) USER MOD Single : A 12 LYS NZ :NH3+ 170:sc=-0.00988 (180deg=-0.128) USER MOD Single : A 18 ASN : amide:sc= -2.4! C(o=-2.4!,f=-5.9!) USER MOD Single : A 21 TYR OH : rot 0:sc= -0.386 USER MOD Single : A 42 THR OG1 : rot -170:sc= -0.303 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ -168:sc= -0.0382 (180deg=-0.181) USER MOD Single : A 58 HIS : no HE2:sc= -0.541 K(o=-0.54,f=-2.1!) USER MOD Single : A 61 HIS : no HD1:sc= -0.0202 X(o=-0.02,f=-0.02) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -1.54 K(o=-1.5,f=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl 149:sc= -0.26 (180deg=-0.973) USER MOD Single : A 87 HIS : no HD1:sc= -1.16 K(o=-1.2,f=-0.026) USER MOD Single : A 91 GLN : amide:sc= -2.34 K(o=-2.3,f=-0.9) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.609 -3.184 1.153 1.00 73.34 N ATOM 2 CA GLY A 1 4.415 -4.419 0.980 1.00 62.13 C ATOM 3 C GLY A 1 3.647 -5.658 1.398 1.00 61.10 C ATOM 4 O GLY A 1 2.506 -5.548 1.854 1.00 24.12 O ATOM 0 H1 GLY A 1 3.512 -2.701 0.237 1.00 73.34 H new ATOM 0 H2 GLY A 1 2.666 -3.433 1.515 1.00 73.34 H new ATOM 0 H3 GLY A 1 4.083 -2.552 1.829 1.00 73.34 H new ATOM 0 HA2 GLY A 1 4.716 -4.513 -0.063 1.00 62.13 H new ATOM 0 HA3 GLY A 1 5.329 -4.342 1.569 1.00 62.13 H new ATOM 10 N PRO A 2 4.237 -6.856 1.243 1.00 54.02 N ATOM 11 CA PRO A 2 3.602 -8.101 1.683 1.00 54.14 C ATOM 12 C PRO A 2 3.524 -8.176 3.212 1.00 12.11 C ATOM 13 O PRO A 2 2.461 -7.954 3.797 1.00 30.53 O ATOM 14 CB PRO A 2 4.509 -9.197 1.101 1.00 64.44 C ATOM 15 CG PRO A 2 5.838 -8.542 0.909 1.00 74.42 C ATOM 16 CD PRO A 2 5.561 -7.090 0.624 1.00 51.33 C ATOM 0 HA PRO A 2 2.570 -8.194 1.345 1.00 54.14 H new ATOM 0 HB2 PRO A 2 4.583 -10.048 1.778 1.00 64.44 H new ATOM 0 HB3 PRO A 2 4.115 -9.574 0.157 1.00 64.44 H new ATOM 0 HG2 PRO A 2 6.457 -8.651 1.800 1.00 74.42 H new ATOM 0 HG3 PRO A 2 6.382 -9.002 0.084 1.00 74.42 H new ATOM 0 HD2 PRO A 2 6.325 -6.444 1.057 1.00 51.33 H new ATOM 0 HD3 PRO A 2 5.543 -6.889 -0.447 1.00 51.33 H new ATOM 24 N GLY A 3 4.648 -8.484 3.853 1.00 32.55 N ATOM 25 CA GLY A 3 4.745 -8.394 5.298 1.00 61.02 C ATOM 26 C GLY A 3 5.710 -7.302 5.705 1.00 31.51 C ATOM 27 O GLY A 3 5.376 -6.419 6.500 1.00 24.10 O ATOM 0 H GLY A 3 5.501 -8.797 3.391 1.00 32.55 H new ATOM 0 HA2 GLY A 3 3.761 -8.192 5.721 1.00 61.02 H new ATOM 0 HA3 GLY A 3 5.077 -9.349 5.705 1.00 61.02 H new ATOM 31 N SER A 4 6.917 -7.367 5.155 1.00 41.20 N ATOM 32 CA SER A 4 7.916 -6.321 5.324 1.00 34.13 C ATOM 33 C SER A 4 8.825 -6.262 4.088 1.00 22.30 C ATOM 34 O SER A 4 8.555 -5.513 3.146 1.00 41.31 O ATOM 35 CB SER A 4 8.744 -6.561 6.598 1.00 5.34 C ATOM 36 OG SER A 4 7.924 -6.547 7.758 1.00 55.43 O ATOM 0 H SER A 4 7.230 -8.148 4.579 1.00 41.20 H new ATOM 0 HA SER A 4 7.407 -5.363 5.430 1.00 34.13 H new ATOM 0 HB2 SER A 4 9.258 -7.520 6.525 1.00 5.34 H new ATOM 0 HB3 SER A 4 9.513 -5.793 6.684 1.00 5.34 H new ATOM 0 HG SER A 4 6.997 -6.358 7.501 1.00 55.43 H new ATOM 42 N MET A 5 9.886 -7.071 4.083 1.00 64.41 N ATOM 43 CA MET A 5 10.825 -7.113 2.986 1.00 24.34 C ATOM 44 C MET A 5 11.523 -8.474 2.930 1.00 51.43 C ATOM 45 O MET A 5 12.059 -8.941 3.939 1.00 54.22 O ATOM 46 CB MET A 5 11.856 -6.012 3.173 1.00 2.21 C ATOM 47 CG MET A 5 13.011 -6.097 2.203 1.00 62.13 C ATOM 48 SD MET A 5 12.542 -5.691 0.509 1.00 65.44 S ATOM 49 CE MET A 5 14.001 -6.218 -0.392 1.00 30.13 C ATOM 0 H MET A 5 10.109 -7.712 4.845 1.00 64.41 H new ATOM 0 HA MET A 5 10.289 -6.963 2.049 1.00 24.34 H new ATOM 0 HB2 MET A 5 11.367 -5.044 3.060 1.00 2.21 H new ATOM 0 HB3 MET A 5 12.243 -6.056 4.191 1.00 2.21 H new ATOM 0 HG2 MET A 5 13.801 -5.420 2.527 1.00 62.13 H new ATOM 0 HG3 MET A 5 13.425 -7.105 2.228 1.00 62.13 H new ATOM 0 HE1 MET A 5 13.859 -6.029 -1.456 1.00 30.13 H new ATOM 0 HE2 MET A 5 14.868 -5.661 -0.037 1.00 30.13 H new ATOM 0 HE3 MET A 5 14.163 -7.284 -0.231 1.00 30.13 H new ATOM 59 N VAL A 6 11.517 -9.097 1.756 1.00 42.23 N ATOM 60 CA VAL A 6 12.172 -10.388 1.541 1.00 64.21 C ATOM 61 C VAL A 6 12.664 -10.507 0.101 1.00 41.01 C ATOM 62 O VAL A 6 12.658 -9.533 -0.654 1.00 75.33 O ATOM 63 CB VAL A 6 11.227 -11.586 1.859 1.00 3.55 C ATOM 64 CG1 VAL A 6 11.110 -11.820 3.367 1.00 60.22 C ATOM 65 CG2 VAL A 6 9.845 -11.360 1.242 1.00 11.52 C ATOM 0 H VAL A 6 11.059 -8.723 0.925 1.00 42.23 H new ATOM 0 HA VAL A 6 13.018 -10.429 2.227 1.00 64.21 H new ATOM 0 HB VAL A 6 11.664 -12.481 1.416 1.00 3.55 H new ATOM 0 HG11 VAL A 6 10.444 -12.662 3.554 1.00 60.22 H new ATOM 0 HG12 VAL A 6 12.095 -12.038 3.779 1.00 60.22 H new ATOM 0 HG13 VAL A 6 10.707 -10.926 3.844 1.00 60.22 H new ATOM 0 HG21 VAL A 6 9.200 -12.207 1.475 1.00 11.52 H new ATOM 0 HG22 VAL A 6 9.409 -10.448 1.650 1.00 11.52 H new ATOM 0 HG23 VAL A 6 9.941 -11.263 0.161 1.00 11.52 H new ATOM 75 N ASN A 7 13.121 -11.704 -0.246 1.00 53.22 N ATOM 76 CA ASN A 7 13.608 -12.031 -1.583 1.00 71.21 C ATOM 77 C ASN A 7 12.617 -11.602 -2.666 1.00 44.52 C ATOM 78 O ASN A 7 11.439 -11.394 -2.384 1.00 33.22 O ATOM 79 CB ASN A 7 13.805 -13.543 -1.668 1.00 54.12 C ATOM 80 CG ASN A 7 14.830 -13.958 -2.696 1.00 14.33 C ATOM 81 OD1 ASN A 7 14.535 -14.069 -3.890 1.00 32.24 O ATOM 82 ND2 ASN A 7 16.028 -14.237 -2.219 1.00 52.12 N ATOM 0 H ASN A 7 13.165 -12.489 0.404 1.00 53.22 H new ATOM 0 HA ASN A 7 14.544 -11.498 -1.750 1.00 71.21 H new ATOM 0 HB2 ASN A 7 14.109 -13.918 -0.691 1.00 54.12 H new ATOM 0 HB3 ASN A 7 12.851 -14.013 -1.907 1.00 54.12 H new ATOM 0 HD21 ASN A 7 16.764 -14.562 -2.846 1.00 52.12 H new ATOM 0 HD22 ASN A 7 16.218 -14.128 -1.223 1.00 52.12 H new ATOM 89 N ALA A 8 13.091 -11.505 -3.906 1.00 60.32 N ATOM 90 CA ALA A 8 12.222 -11.186 -5.037 1.00 3.34 C ATOM 91 C ALA A 8 11.131 -12.247 -5.182 1.00 60.24 C ATOM 92 O ALA A 8 9.942 -11.930 -5.253 1.00 14.22 O ATOM 93 CB ALA A 8 13.037 -11.079 -6.322 1.00 31.02 C ATOM 0 H ALA A 8 14.071 -11.643 -4.153 1.00 60.32 H new ATOM 0 HA ALA A 8 11.747 -10.223 -4.850 1.00 3.34 H new ATOM 0 HB1 ALA A 8 12.375 -10.841 -7.154 1.00 31.02 H new ATOM 0 HB2 ALA A 8 13.783 -10.291 -6.215 1.00 31.02 H new ATOM 0 HB3 ALA A 8 13.537 -12.028 -6.516 1.00 31.02 H new ATOM 99 N PHE A 9 11.551 -13.515 -5.203 1.00 32.01 N ATOM 100 CA PHE A 9 10.623 -14.643 -5.313 1.00 51.44 C ATOM 101 C PHE A 9 9.672 -14.649 -4.118 1.00 64.40 C ATOM 102 O PHE A 9 8.457 -14.785 -4.269 1.00 61.22 O ATOM 103 CB PHE A 9 11.412 -15.973 -5.396 1.00 13.33 C ATOM 104 CG PHE A 9 10.567 -17.228 -5.482 1.00 33.31 C ATOM 105 CD1 PHE A 9 9.892 -17.719 -4.372 1.00 60.44 C ATOM 106 CD2 PHE A 9 10.457 -17.917 -6.677 1.00 74.23 C ATOM 107 CE1 PHE A 9 9.128 -18.866 -4.456 1.00 44.20 C ATOM 108 CE2 PHE A 9 9.694 -19.068 -6.766 1.00 51.30 C ATOM 109 CZ PHE A 9 9.029 -19.541 -5.655 1.00 62.30 C ATOM 0 H PHE A 9 12.533 -13.786 -5.145 1.00 32.01 H new ATOM 0 HA PHE A 9 10.034 -14.538 -6.224 1.00 51.44 H new ATOM 0 HB2 PHE A 9 12.064 -15.935 -6.268 1.00 13.33 H new ATOM 0 HB3 PHE A 9 12.056 -16.049 -4.520 1.00 13.33 H new ATOM 0 HD1 PHE A 9 9.966 -17.196 -3.430 1.00 60.44 H new ATOM 0 HD2 PHE A 9 10.974 -17.551 -7.552 1.00 74.23 H new ATOM 0 HE1 PHE A 9 8.608 -19.234 -3.584 1.00 44.20 H new ATOM 0 HE2 PHE A 9 9.620 -19.596 -7.705 1.00 51.30 H new ATOM 0 HZ PHE A 9 8.432 -20.438 -5.723 1.00 62.30 H new ATOM 119 N LEU A 10 10.242 -14.461 -2.934 1.00 11.31 N ATOM 120 CA LEU A 10 9.494 -14.532 -1.681 1.00 65.43 C ATOM 121 C LEU A 10 8.448 -13.419 -1.585 1.00 12.34 C ATOM 122 O LEU A 10 7.278 -13.685 -1.305 1.00 22.41 O ATOM 123 CB LEU A 10 10.468 -14.477 -0.492 1.00 53.03 C ATOM 124 CG LEU A 10 11.130 -15.814 -0.118 1.00 71.33 C ATOM 125 CD1 LEU A 10 10.087 -16.758 0.463 1.00 60.00 C ATOM 126 CD2 LEU A 10 11.810 -16.453 -1.326 1.00 5.43 C ATOM 0 H LEU A 10 11.234 -14.255 -2.813 1.00 11.31 H new ATOM 0 HA LEU A 10 8.955 -15.479 -1.656 1.00 65.43 H new ATOM 0 HB2 LEU A 10 11.252 -13.754 -0.719 1.00 53.03 H new ATOM 0 HB3 LEU A 10 9.931 -14.101 0.379 1.00 53.03 H new ATOM 0 HG LEU A 10 11.898 -15.620 0.630 1.00 71.33 H new ATOM 0 HD11 LEU A 10 10.559 -17.704 0.727 1.00 60.00 H new ATOM 0 HD12 LEU A 10 9.648 -16.311 1.355 1.00 60.00 H new ATOM 0 HD13 LEU A 10 9.306 -16.936 -0.276 1.00 60.00 H new ATOM 0 HD21 LEU A 10 12.268 -17.396 -1.029 1.00 5.43 H new ATOM 0 HD22 LEU A 10 11.070 -16.639 -2.104 1.00 5.43 H new ATOM 0 HD23 LEU A 10 12.578 -15.781 -1.709 1.00 5.43 H new ATOM 138 N ALA A 11 8.869 -12.182 -1.824 1.00 51.23 N ATOM 139 CA ALA A 11 7.964 -11.033 -1.785 1.00 43.20 C ATOM 140 C ALA A 11 6.842 -11.199 -2.802 1.00 60.02 C ATOM 141 O ALA A 11 5.693 -10.824 -2.546 1.00 21.33 O ATOM 142 CB ALA A 11 8.733 -9.741 -2.042 1.00 15.33 C ATOM 0 H ALA A 11 9.836 -11.946 -2.048 1.00 51.23 H new ATOM 0 HA ALA A 11 7.519 -10.979 -0.791 1.00 43.20 H new ATOM 0 HB1 ALA A 11 8.045 -8.896 -2.010 1.00 15.33 H new ATOM 0 HB2 ALA A 11 9.499 -9.615 -1.277 1.00 15.33 H new ATOM 0 HB3 ALA A 11 9.205 -9.788 -3.023 1.00 15.33 H new ATOM 148 N LYS A 12 7.185 -11.769 -3.955 1.00 75.22 N ATOM 149 CA LYS A 12 6.207 -12.031 -4.997 1.00 3.03 C ATOM 150 C LYS A 12 5.181 -13.052 -4.512 1.00 75.15 C ATOM 151 O LYS A 12 3.982 -12.844 -4.659 1.00 72.25 O ATOM 152 CB LYS A 12 6.891 -12.526 -6.279 1.00 62.31 C ATOM 153 CG LYS A 12 5.930 -12.753 -7.448 1.00 64.45 C ATOM 154 CD LYS A 12 5.214 -11.470 -7.874 1.00 25.11 C ATOM 155 CE LYS A 12 6.193 -10.405 -8.363 1.00 55.23 C ATOM 156 NZ LYS A 12 6.954 -10.852 -9.562 1.00 30.21 N ATOM 0 H LYS A 12 8.136 -12.057 -4.187 1.00 75.22 H new ATOM 0 HA LYS A 12 5.693 -11.098 -5.227 1.00 3.03 H new ATOM 0 HB2 LYS A 12 7.647 -11.800 -6.579 1.00 62.31 H new ATOM 0 HB3 LYS A 12 7.412 -13.459 -6.064 1.00 62.31 H new ATOM 0 HG2 LYS A 12 6.483 -13.155 -8.296 1.00 64.45 H new ATOM 0 HG3 LYS A 12 5.190 -13.502 -7.166 1.00 64.45 H new ATOM 0 HD2 LYS A 12 4.501 -11.698 -8.666 1.00 25.11 H new ATOM 0 HD3 LYS A 12 4.642 -11.078 -7.033 1.00 25.11 H new ATOM 0 HE2 LYS A 12 5.646 -9.492 -8.601 1.00 55.23 H new ATOM 0 HE3 LYS A 12 6.891 -10.159 -7.562 1.00 55.23 H new ATOM 0 HZ1 LYS A 12 7.478 -10.047 -9.960 1.00 30.21 H new ATOM 0 HZ2 LYS A 12 7.623 -11.600 -9.290 1.00 30.21 H new ATOM 0 HZ3 LYS A 12 6.293 -11.222 -10.275 1.00 30.21 H new ATOM 170 N ILE A 13 5.662 -14.145 -3.916 1.00 44.14 N ATOM 171 CA ILE A 13 4.779 -15.183 -3.387 1.00 31.13 C ATOM 172 C ILE A 13 3.866 -14.616 -2.306 1.00 54.15 C ATOM 173 O ILE A 13 2.656 -14.843 -2.319 1.00 11.24 O ATOM 174 CB ILE A 13 5.577 -16.379 -2.800 1.00 33.44 C ATOM 175 CG1 ILE A 13 6.380 -17.079 -3.902 1.00 4.41 C ATOM 176 CG2 ILE A 13 4.648 -17.374 -2.100 1.00 34.00 C ATOM 177 CD1 ILE A 13 5.526 -17.713 -4.977 1.00 1.42 C ATOM 0 H ILE A 13 6.656 -14.333 -3.788 1.00 44.14 H new ATOM 0 HA ILE A 13 4.180 -15.543 -4.224 1.00 31.13 H new ATOM 0 HB ILE A 13 6.271 -15.988 -2.056 1.00 33.44 H new ATOM 0 HG12 ILE A 13 7.050 -16.355 -4.365 1.00 4.41 H new ATOM 0 HG13 ILE A 13 7.006 -17.848 -3.449 1.00 4.41 H new ATOM 0 HG21 ILE A 13 5.235 -18.200 -1.699 1.00 34.00 H new ATOM 0 HG22 ILE A 13 4.125 -16.872 -1.286 1.00 34.00 H new ATOM 0 HG23 ILE A 13 3.921 -17.759 -2.816 1.00 34.00 H new ATOM 0 HD11 ILE A 13 6.168 -18.187 -5.719 1.00 1.42 H new ATOM 0 HD12 ILE A 13 4.874 -18.463 -4.529 1.00 1.42 H new ATOM 0 HD13 ILE A 13 4.919 -16.946 -5.459 1.00 1.42 H new ATOM 189 N ALA A 14 4.453 -13.867 -1.382 1.00 10.43 N ATOM 190 CA ALA A 14 3.712 -13.300 -0.264 1.00 65.03 C ATOM 191 C ALA A 14 2.607 -12.365 -0.761 1.00 45.24 C ATOM 192 O ALA A 14 1.467 -12.452 -0.309 1.00 22.51 O ATOM 193 CB ALA A 14 4.658 -12.571 0.682 1.00 21.21 C ATOM 0 H ALA A 14 5.447 -13.637 -1.386 1.00 10.43 H new ATOM 0 HA ALA A 14 3.238 -14.114 0.284 1.00 65.03 H new ATOM 0 HB1 ALA A 14 4.090 -12.152 1.513 1.00 21.21 H new ATOM 0 HB2 ALA A 14 5.400 -13.271 1.066 1.00 21.21 H new ATOM 0 HB3 ALA A 14 5.162 -11.767 0.145 1.00 21.21 H new ATOM 199 N ALA A 15 2.944 -11.491 -1.707 1.00 74.24 N ATOM 200 CA ALA A 15 1.979 -10.536 -2.261 1.00 32.11 C ATOM 201 C ALA A 15 0.937 -11.241 -3.134 1.00 51.43 C ATOM 202 O ALA A 15 -0.250 -10.910 -3.098 1.00 74.42 O ATOM 203 CB ALA A 15 2.703 -9.461 -3.058 1.00 53.00 C ATOM 0 H ALA A 15 3.879 -11.422 -2.108 1.00 74.24 H new ATOM 0 HA ALA A 15 1.453 -10.066 -1.430 1.00 32.11 H new ATOM 0 HB1 ALA A 15 1.976 -8.758 -3.464 1.00 53.00 H new ATOM 0 HB2 ALA A 15 3.397 -8.930 -2.406 1.00 53.00 H new ATOM 0 HB3 ALA A 15 3.256 -9.924 -3.875 1.00 53.00 H new ATOM 209 N TRP A 16 1.400 -12.211 -3.917 1.00 42.31 N ATOM 210 CA TRP A 16 0.540 -13.019 -4.782 1.00 14.44 C ATOM 211 C TRP A 16 -0.495 -13.782 -3.949 1.00 61.31 C ATOM 212 O TRP A 16 -1.682 -13.821 -4.288 1.00 4.24 O ATOM 213 CB TRP A 16 1.432 -13.966 -5.609 1.00 24.40 C ATOM 214 CG TRP A 16 0.783 -15.228 -6.097 1.00 52.04 C ATOM 215 CD1 TRP A 16 -0.082 -15.374 -7.145 1.00 52.03 C ATOM 216 CD2 TRP A 16 0.987 -16.539 -5.560 1.00 31.11 C ATOM 217 NE1 TRP A 16 -0.426 -16.698 -7.285 1.00 3.11 N ATOM 218 CE2 TRP A 16 0.215 -17.429 -6.321 1.00 21.40 C ATOM 219 CE3 TRP A 16 1.748 -17.037 -4.503 1.00 71.50 C ATOM 220 CZ2 TRP A 16 0.189 -18.797 -6.060 1.00 15.24 C ATOM 221 CZ3 TRP A 16 1.720 -18.390 -4.245 1.00 2.41 C ATOM 222 CH2 TRP A 16 0.944 -19.257 -5.019 1.00 12.14 C ATOM 0 H TRP A 16 2.387 -12.462 -3.971 1.00 42.31 H new ATOM 0 HA TRP A 16 -0.020 -12.380 -5.465 1.00 14.44 H new ATOM 0 HB2 TRP A 16 1.806 -13.417 -6.473 1.00 24.40 H new ATOM 0 HB3 TRP A 16 2.297 -14.237 -5.004 1.00 24.40 H new ATOM 0 HD1 TRP A 16 -0.442 -14.570 -7.770 1.00 52.03 H new ATOM 0 HE1 TRP A 16 -1.057 -17.075 -7.993 1.00 3.11 H new ATOM 0 HE3 TRP A 16 2.348 -16.374 -3.898 1.00 71.50 H new ATOM 0 HZ2 TRP A 16 -0.407 -19.470 -6.659 1.00 15.24 H new ATOM 0 HZ3 TRP A 16 2.308 -18.787 -3.431 1.00 2.41 H new ATOM 0 HH2 TRP A 16 0.941 -20.312 -4.789 1.00 12.14 H new ATOM 233 N LEU A 17 -0.038 -14.364 -2.845 1.00 61.21 N ATOM 234 CA LEU A 17 -0.916 -15.055 -1.908 1.00 62.45 C ATOM 235 C LEU A 17 -1.807 -14.060 -1.173 1.00 2.03 C ATOM 236 O LEU A 17 -2.995 -14.311 -0.967 1.00 1.20 O ATOM 237 CB LEU A 17 -0.081 -15.877 -0.913 1.00 54.03 C ATOM 238 CG LEU A 17 -0.150 -17.393 -1.122 1.00 44.41 C ATOM 239 CD1 LEU A 17 0.963 -18.101 -0.362 1.00 31.01 C ATOM 240 CD2 LEU A 17 -1.520 -17.920 -0.696 1.00 20.20 C ATOM 0 H LEU A 17 0.946 -14.370 -2.576 1.00 61.21 H new ATOM 0 HA LEU A 17 -1.560 -15.734 -2.467 1.00 62.45 H new ATOM 0 HB2 LEU A 17 0.960 -15.561 -0.984 1.00 54.03 H new ATOM 0 HB3 LEU A 17 -0.416 -15.647 0.099 1.00 54.03 H new ATOM 0 HG LEU A 17 -0.011 -17.602 -2.183 1.00 44.41 H new ATOM 0 HD11 LEU A 17 0.890 -19.176 -0.528 1.00 31.01 H new ATOM 0 HD12 LEU A 17 1.930 -17.744 -0.716 1.00 31.01 H new ATOM 0 HD13 LEU A 17 0.867 -17.891 0.703 1.00 31.01 H new ATOM 0 HD21 LEU A 17 -1.558 -18.999 -0.849 1.00 20.20 H new ATOM 0 HD22 LEU A 17 -1.684 -17.697 0.358 1.00 20.20 H new ATOM 0 HD23 LEU A 17 -2.296 -17.441 -1.293 1.00 20.20 H new ATOM 252 N ASN A 18 -1.224 -12.928 -0.795 1.00 65.13 N ATOM 253 CA ASN A 18 -1.955 -11.855 -0.123 1.00 45.11 C ATOM 254 C ASN A 18 -3.144 -11.429 -0.983 1.00 52.24 C ATOM 255 O ASN A 18 -4.240 -11.202 -0.477 1.00 12.31 O ATOM 256 CB ASN A 18 -1.006 -10.662 0.128 1.00 44.01 C ATOM 257 CG ASN A 18 -1.550 -9.552 1.036 1.00 55.42 C ATOM 258 OD1 ASN A 18 -0.775 -8.873 1.705 1.00 21.33 O ATOM 259 ND2 ASN A 18 -2.862 -9.333 1.070 1.00 62.40 N ATOM 0 H ASN A 18 -0.235 -12.727 -0.944 1.00 65.13 H new ATOM 0 HA ASN A 18 -2.330 -12.209 0.837 1.00 45.11 H new ATOM 0 HB2 ASN A 18 -0.083 -11.043 0.565 1.00 44.01 H new ATOM 0 HB3 ASN A 18 -0.745 -10.222 -0.834 1.00 44.01 H new ATOM 0 HD21 ASN A 18 -3.240 -8.591 1.659 1.00 62.40 H new ATOM 0 HD22 ASN A 18 -3.490 -9.907 0.507 1.00 62.40 H new ATOM 266 N ALA A 19 -2.917 -11.333 -2.289 1.00 61.24 N ATOM 267 CA ALA A 19 -3.966 -10.941 -3.227 1.00 24.21 C ATOM 268 C ALA A 19 -5.031 -12.034 -3.341 1.00 11.54 C ATOM 269 O ALA A 19 -6.206 -11.752 -3.580 1.00 11.42 O ATOM 270 CB ALA A 19 -3.361 -10.631 -4.591 1.00 61.32 C ATOM 0 H ALA A 19 -2.014 -11.522 -2.724 1.00 61.24 H new ATOM 0 HA ALA A 19 -4.450 -10.041 -2.849 1.00 24.21 H new ATOM 0 HB1 ALA A 19 -4.152 -10.340 -5.282 1.00 61.32 H new ATOM 0 HB2 ALA A 19 -2.645 -9.815 -4.494 1.00 61.32 H new ATOM 0 HB3 ALA A 19 -2.853 -11.516 -4.973 1.00 61.32 H new ATOM 276 N GLY A 20 -4.604 -13.279 -3.158 1.00 74.52 N ATOM 277 CA GLY A 20 -5.518 -14.404 -3.233 1.00 23.12 C ATOM 278 C GLY A 20 -6.319 -14.583 -1.956 1.00 55.43 C ATOM 279 O GLY A 20 -7.438 -15.109 -1.985 1.00 43.31 O ATOM 0 H GLY A 20 -3.636 -13.530 -2.958 1.00 74.52 H new ATOM 0 HA2 GLY A 20 -6.201 -14.259 -4.070 1.00 23.12 H new ATOM 0 HA3 GLY A 20 -4.954 -15.314 -3.436 1.00 23.12 H new ATOM 283 N TYR A 21 -5.743 -14.143 -0.835 1.00 62.21 N ATOM 284 CA TYR A 21 -6.388 -14.246 0.477 1.00 10.20 C ATOM 285 C TYR A 21 -6.056 -13.027 1.346 1.00 4.45 C ATOM 286 O TYR A 21 -5.261 -13.124 2.284 1.00 64.21 O ATOM 287 CB TYR A 21 -5.933 -15.511 1.217 1.00 61.50 C ATOM 288 CG TYR A 21 -6.291 -16.829 0.550 1.00 73.21 C ATOM 289 CD1 TYR A 21 -7.530 -17.424 0.761 1.00 11.11 C ATOM 290 CD2 TYR A 21 -5.370 -17.507 -0.247 1.00 62.43 C ATOM 291 CE1 TYR A 21 -7.843 -18.642 0.189 1.00 44.33 C ATOM 292 CE2 TYR A 21 -5.678 -18.724 -0.815 1.00 2.43 C ATOM 293 CZ TYR A 21 -6.914 -19.288 -0.598 1.00 65.41 C ATOM 294 OH TYR A 21 -7.216 -20.507 -1.161 1.00 73.14 O ATOM 0 H TYR A 21 -4.821 -13.707 -0.810 1.00 62.21 H new ATOM 0 HA TYR A 21 -7.463 -14.292 0.304 1.00 10.20 H new ATOM 0 HB2 TYR A 21 -4.851 -15.469 1.339 1.00 61.50 H new ATOM 0 HB3 TYR A 21 -6.367 -15.501 2.217 1.00 61.50 H new ATOM 0 HD1 TYR A 21 -8.260 -16.926 1.382 1.00 11.11 H new ATOM 0 HD2 TYR A 21 -4.398 -17.071 -0.422 1.00 62.43 H new ATOM 0 HE1 TYR A 21 -8.813 -19.087 0.358 1.00 44.33 H new ATOM 0 HE2 TYR A 21 -4.951 -19.234 -1.429 1.00 2.43 H new ATOM 0 HH TYR A 21 -8.124 -20.770 -0.903 1.00 73.14 H new ATOM 304 N PRO A 22 -6.663 -11.861 1.064 1.00 33.03 N ATOM 305 CA PRO A 22 -6.409 -10.635 1.839 1.00 62.52 C ATOM 306 C PRO A 22 -6.988 -10.711 3.256 1.00 1.51 C ATOM 307 O PRO A 22 -6.735 -9.837 4.092 1.00 55.41 O ATOM 308 CB PRO A 22 -7.107 -9.544 1.014 1.00 44.14 C ATOM 309 CG PRO A 22 -8.178 -10.262 0.261 1.00 13.52 C ATOM 310 CD PRO A 22 -7.623 -11.634 -0.036 1.00 34.34 C ATOM 0 HA PRO A 22 -5.344 -10.453 1.986 1.00 62.52 H new ATOM 0 HB2 PRO A 22 -7.526 -8.770 1.656 1.00 44.14 H new ATOM 0 HB3 PRO A 22 -6.409 -9.053 0.337 1.00 44.14 H new ATOM 0 HG2 PRO A 22 -9.092 -10.329 0.850 1.00 13.52 H new ATOM 0 HG3 PRO A 22 -8.430 -9.735 -0.659 1.00 13.52 H new ATOM 0 HD2 PRO A 22 -8.407 -12.391 -0.047 1.00 34.34 H new ATOM 0 HD3 PRO A 22 -7.134 -11.667 -1.009 1.00 34.34 H new ATOM 318 N GLU A 23 -7.760 -11.762 3.518 1.00 61.20 N ATOM 319 CA GLU A 23 -8.407 -11.955 4.817 1.00 14.11 C ATOM 320 C GLU A 23 -7.791 -13.129 5.583 1.00 1.14 C ATOM 321 O GLU A 23 -8.146 -13.378 6.736 1.00 3.25 O ATOM 322 CB GLU A 23 -9.907 -12.198 4.612 1.00 54.54 C ATOM 323 CG GLU A 23 -10.212 -13.411 3.735 1.00 45.01 C ATOM 324 CD GLU A 23 -11.696 -13.596 3.483 1.00 53.32 C ATOM 325 OE1 GLU A 23 -12.208 -13.040 2.490 1.00 54.44 O ATOM 326 OE2 GLU A 23 -12.356 -14.310 4.266 1.00 44.43 O ATOM 0 H GLU A 23 -7.955 -12.501 2.842 1.00 61.20 H new ATOM 0 HA GLU A 23 -8.255 -11.053 5.409 1.00 14.11 H new ATOM 0 HB2 GLU A 23 -10.381 -12.333 5.584 1.00 54.54 H new ATOM 0 HB3 GLU A 23 -10.353 -11.312 4.161 1.00 54.54 H new ATOM 0 HG2 GLU A 23 -9.697 -13.302 2.781 1.00 45.01 H new ATOM 0 HG3 GLU A 23 -9.815 -14.307 4.211 1.00 45.01 H new ATOM 333 N GLY A 24 -6.864 -13.838 4.943 1.00 55.34 N ATOM 334 CA GLY A 24 -6.289 -15.032 5.534 1.00 5.42 C ATOM 335 C GLY A 24 -6.872 -16.289 4.922 1.00 72.15 C ATOM 336 O GLY A 24 -8.080 -16.360 4.672 1.00 1.40 O ATOM 0 H GLY A 24 -6.500 -13.604 4.020 1.00 55.34 H new ATOM 0 HA2 GLY A 24 -5.208 -15.025 5.393 1.00 5.42 H new ATOM 0 HA3 GLY A 24 -6.471 -15.031 6.609 1.00 5.42 H new ATOM 340 N VAL A 25 -6.021 -17.279 4.672 1.00 31.52 N ATOM 341 CA VAL A 25 -6.446 -18.519 4.030 1.00 42.05 C ATOM 342 C VAL A 25 -7.087 -19.451 5.066 1.00 51.00 C ATOM 343 O VAL A 25 -6.517 -19.665 6.139 1.00 41.02 O ATOM 344 CB VAL A 25 -5.246 -19.256 3.367 1.00 71.20 C ATOM 345 CG1 VAL A 25 -5.710 -20.282 2.342 1.00 42.22 C ATOM 346 CG2 VAL A 25 -4.233 -18.275 2.779 1.00 50.32 C ATOM 0 H VAL A 25 -5.029 -17.247 4.905 1.00 31.52 H new ATOM 0 HA VAL A 25 -7.169 -18.259 3.257 1.00 42.05 H new ATOM 0 HB VAL A 25 -4.732 -19.807 4.155 1.00 71.20 H new ATOM 0 HG11 VAL A 25 -4.843 -20.775 1.902 1.00 42.22 H new ATOM 0 HG12 VAL A 25 -6.340 -21.025 2.831 1.00 42.22 H new ATOM 0 HG13 VAL A 25 -6.279 -19.782 1.559 1.00 42.22 H new ATOM 0 HG21 VAL A 25 -3.411 -18.829 2.326 1.00 50.32 H new ATOM 0 HG22 VAL A 25 -4.719 -17.661 2.020 1.00 50.32 H new ATOM 0 HG23 VAL A 25 -3.845 -17.634 3.571 1.00 50.32 H new ATOM 356 N PRO A 26 -8.281 -20.002 4.779 1.00 73.25 N ATOM 357 CA PRO A 26 -8.915 -20.990 5.658 1.00 54.21 C ATOM 358 C PRO A 26 -8.186 -22.335 5.597 1.00 64.34 C ATOM 359 O PRO A 26 -7.504 -22.630 4.615 1.00 2.12 O ATOM 360 CB PRO A 26 -10.339 -21.107 5.099 1.00 23.03 C ATOM 361 CG PRO A 26 -10.207 -20.738 3.658 1.00 64.34 C ATOM 362 CD PRO A 26 -9.110 -19.706 3.590 1.00 63.21 C ATOM 0 HA PRO A 26 -8.894 -20.696 6.707 1.00 54.21 H new ATOM 0 HB2 PRO A 26 -10.729 -22.118 5.216 1.00 23.03 H new ATOM 0 HB3 PRO A 26 -11.025 -20.438 5.619 1.00 23.03 H new ATOM 0 HG2 PRO A 26 -9.959 -21.610 3.053 1.00 64.34 H new ATOM 0 HG3 PRO A 26 -11.144 -20.337 3.271 1.00 64.34 H new ATOM 0 HD2 PRO A 26 -8.535 -19.792 2.668 1.00 63.21 H new ATOM 0 HD3 PRO A 26 -9.510 -18.693 3.622 1.00 63.21 H new ATOM 370 N GLY A 27 -8.339 -23.146 6.642 1.00 3.45 N ATOM 371 CA GLY A 27 -7.659 -24.435 6.717 1.00 3.53 C ATOM 372 C GLY A 27 -7.822 -25.289 5.460 1.00 40.15 C ATOM 373 O GLY A 27 -6.820 -25.695 4.853 1.00 54.14 O ATOM 0 H GLY A 27 -8.928 -22.933 7.447 1.00 3.45 H new ATOM 0 HA2 GLY A 27 -6.597 -24.266 6.896 1.00 3.53 H new ATOM 0 HA3 GLY A 27 -8.042 -24.989 7.574 1.00 3.53 H new ATOM 377 N PRO A 28 -9.079 -25.566 5.036 1.00 4.10 N ATOM 378 CA PRO A 28 -9.367 -26.390 3.843 1.00 31.40 C ATOM 379 C PRO A 28 -8.710 -25.858 2.569 1.00 1.42 C ATOM 380 O PRO A 28 -8.627 -26.568 1.568 1.00 5.10 O ATOM 381 CB PRO A 28 -10.900 -26.332 3.724 1.00 12.20 C ATOM 382 CG PRO A 28 -11.373 -26.019 5.099 1.00 51.25 C ATOM 383 CD PRO A 28 -10.324 -25.117 5.691 1.00 54.20 C ATOM 0 HA PRO A 28 -8.969 -27.399 3.954 1.00 31.40 H new ATOM 0 HB2 PRO A 28 -11.214 -25.567 3.014 1.00 12.20 H new ATOM 0 HB3 PRO A 28 -11.306 -27.280 3.372 1.00 12.20 H new ATOM 0 HG2 PRO A 28 -12.346 -25.528 5.077 1.00 51.25 H new ATOM 0 HG3 PRO A 28 -11.488 -26.927 5.690 1.00 51.25 H new ATOM 0 HD2 PRO A 28 -10.532 -24.068 5.483 1.00 54.20 H new ATOM 0 HD3 PRO A 28 -10.269 -25.222 6.775 1.00 54.20 H new ATOM 391 N ASP A 29 -8.247 -24.609 2.603 1.00 63.12 N ATOM 392 CA ASP A 29 -7.558 -24.010 1.458 1.00 75.13 C ATOM 393 C ASP A 29 -6.056 -23.961 1.724 1.00 41.35 C ATOM 394 O ASP A 29 -5.249 -24.074 0.802 1.00 20.04 O ATOM 395 CB ASP A 29 -8.108 -22.605 1.157 1.00 13.15 C ATOM 396 CG ASP A 29 -9.473 -22.632 0.473 1.00 11.41 C ATOM 397 OD1 ASP A 29 -10.392 -23.308 0.987 1.00 33.11 O ATOM 398 OD2 ASP A 29 -9.634 -21.995 -0.595 1.00 42.44 O ATOM 0 H ASP A 29 -8.336 -23.992 3.410 1.00 63.12 H new ATOM 0 HA ASP A 29 -7.738 -24.629 0.579 1.00 75.13 H new ATOM 0 HB2 ASP A 29 -8.186 -22.044 2.088 1.00 13.15 H new ATOM 0 HB3 ASP A 29 -7.400 -22.072 0.522 1.00 13.15 H new ATOM 403 N ARG A 30 -5.688 -23.836 3.001 1.00 54.40 N ATOM 404 CA ARG A 30 -4.287 -23.784 3.403 1.00 24.35 C ATOM 405 C ARG A 30 -3.575 -25.102 3.118 1.00 11.25 C ATOM 406 O ARG A 30 -2.475 -25.110 2.564 1.00 45.02 O ATOM 407 CB ARG A 30 -4.151 -23.435 4.892 1.00 44.21 C ATOM 408 CG ARG A 30 -4.438 -21.977 5.207 1.00 23.22 C ATOM 409 CD ARG A 30 -3.995 -21.586 6.615 1.00 3.15 C ATOM 410 NE ARG A 30 -5.027 -21.829 7.626 1.00 71.13 N ATOM 411 CZ ARG A 30 -4.935 -22.733 8.606 1.00 23.15 C ATOM 412 NH1 ARG A 30 -3.837 -23.468 8.744 1.00 65.41 N ATOM 413 NH2 ARG A 30 -5.937 -22.879 9.462 1.00 74.54 N ATOM 0 H ARG A 30 -6.348 -23.769 3.776 1.00 54.40 H new ATOM 0 HA ARG A 30 -3.815 -23.000 2.812 1.00 24.35 H new ATOM 0 HB2 ARG A 30 -4.832 -24.062 5.467 1.00 44.21 H new ATOM 0 HB3 ARG A 30 -3.141 -23.677 5.222 1.00 44.21 H new ATOM 0 HG2 ARG A 30 -3.929 -21.344 4.480 1.00 23.22 H new ATOM 0 HG3 ARG A 30 -5.506 -21.789 5.100 1.00 23.22 H new ATOM 0 HD2 ARG A 30 -3.098 -22.147 6.877 1.00 3.15 H new ATOM 0 HD3 ARG A 30 -3.725 -20.530 6.625 1.00 3.15 H new ATOM 0 HE ARG A 30 -5.877 -21.268 7.579 1.00 71.13 H new ATOM 0 HH11 ARG A 30 -3.056 -23.344 8.099 1.00 65.41 H new ATOM 0 HH12 ARG A 30 -3.775 -24.156 9.495 1.00 65.41 H new ATOM 0 HH21 ARG A 30 -6.774 -22.303 9.371 1.00 74.54 H new ATOM 0 HH22 ARG A 30 -5.871 -23.568 10.212 1.00 74.54 H new ATOM 427 N VAL A 31 -4.200 -26.215 3.502 1.00 12.44 N ATOM 428 CA VAL A 31 -3.576 -27.530 3.329 1.00 14.30 C ATOM 429 C VAL A 31 -3.211 -27.787 1.852 1.00 1.22 C ATOM 430 O VAL A 31 -2.057 -28.110 1.543 1.00 3.34 O ATOM 431 CB VAL A 31 -4.467 -28.683 3.874 1.00 3.35 C ATOM 432 CG1 VAL A 31 -3.740 -30.019 3.772 1.00 35.31 C ATOM 433 CG2 VAL A 31 -4.883 -28.416 5.318 1.00 61.25 C ATOM 0 H VAL A 31 -5.126 -26.235 3.930 1.00 12.44 H new ATOM 0 HA VAL A 31 -2.659 -27.517 3.918 1.00 14.30 H new ATOM 0 HB VAL A 31 -5.367 -28.729 3.261 1.00 3.35 H new ATOM 0 HG11 VAL A 31 -4.380 -30.812 4.158 1.00 35.31 H new ATOM 0 HG12 VAL A 31 -3.499 -30.223 2.729 1.00 35.31 H new ATOM 0 HG13 VAL A 31 -2.820 -29.978 4.356 1.00 35.31 H new ATOM 0 HG21 VAL A 31 -5.505 -29.237 5.675 1.00 61.25 H new ATOM 0 HG22 VAL A 31 -3.994 -28.335 5.944 1.00 61.25 H new ATOM 0 HG23 VAL A 31 -5.447 -27.485 5.368 1.00 61.25 H new ATOM 443 N PRO A 32 -4.173 -27.637 0.907 1.00 64.13 N ATOM 444 CA PRO A 32 -3.886 -27.799 -0.523 1.00 15.21 C ATOM 445 C PRO A 32 -2.972 -26.694 -1.056 1.00 21.04 C ATOM 446 O PRO A 32 -2.160 -26.939 -1.956 1.00 13.40 O ATOM 447 CB PRO A 32 -5.268 -27.738 -1.185 1.00 64.15 C ATOM 448 CG PRO A 32 -6.112 -26.973 -0.230 1.00 73.12 C ATOM 449 CD PRO A 32 -5.599 -27.319 1.142 1.00 53.53 C ATOM 0 HA PRO A 32 -3.354 -28.728 -0.730 1.00 15.21 H new ATOM 0 HB2 PRO A 32 -5.221 -27.243 -2.155 1.00 64.15 H new ATOM 0 HB3 PRO A 32 -5.669 -28.737 -1.356 1.00 64.15 H new ATOM 0 HG2 PRO A 32 -6.039 -25.901 -0.416 1.00 73.12 H new ATOM 0 HG3 PRO A 32 -7.163 -27.243 -0.334 1.00 73.12 H new ATOM 0 HD2 PRO A 32 -5.716 -26.487 1.836 1.00 53.53 H new ATOM 0 HD3 PRO A 32 -6.134 -28.167 1.569 1.00 53.53 H new ATOM 457 N LEU A 33 -3.106 -25.479 -0.505 1.00 51.45 N ATOM 458 CA LEU A 33 -2.238 -24.362 -0.885 1.00 71.25 C ATOM 459 C LEU A 33 -0.781 -24.774 -0.706 1.00 22.31 C ATOM 460 O LEU A 33 0.038 -24.625 -1.614 1.00 14.43 O ATOM 461 CB LEU A 33 -2.571 -23.110 -0.036 1.00 44.31 C ATOM 462 CG LEU A 33 -1.906 -21.772 -0.454 1.00 71.04 C ATOM 463 CD1 LEU A 33 -0.448 -21.697 0.011 1.00 72.23 C ATOM 464 CD2 LEU A 33 -2.003 -21.563 -1.966 1.00 5.41 C ATOM 0 H LEU A 33 -3.804 -25.248 0.202 1.00 51.45 H new ATOM 0 HA LEU A 33 -2.406 -24.108 -1.932 1.00 71.25 H new ATOM 0 HB2 LEU A 33 -3.652 -22.969 -0.051 1.00 44.31 H new ATOM 0 HB3 LEU A 33 -2.291 -23.318 0.997 1.00 44.31 H new ATOM 0 HG LEU A 33 -2.452 -20.968 0.040 1.00 71.04 H new ATOM 0 HD11 LEU A 33 -0.015 -20.746 -0.300 1.00 72.23 H new ATOM 0 HD12 LEU A 33 -0.408 -21.776 1.097 1.00 72.23 H new ATOM 0 HD13 LEU A 33 0.118 -22.516 -0.433 1.00 72.23 H new ATOM 0 HD21 LEU A 33 -1.530 -20.618 -2.234 1.00 5.41 H new ATOM 0 HD22 LEU A 33 -1.497 -22.381 -2.480 1.00 5.41 H new ATOM 0 HD23 LEU A 33 -3.051 -21.541 -2.264 1.00 5.41 H new ATOM 476 N LEU A 34 -0.473 -25.330 0.457 1.00 52.24 N ATOM 477 CA LEU A 34 0.878 -25.780 0.753 1.00 54.12 C ATOM 478 C LEU A 34 1.247 -26.985 -0.091 1.00 50.24 C ATOM 479 O LEU A 34 2.355 -27.052 -0.618 1.00 13.00 O ATOM 480 CB LEU A 34 1.041 -26.105 2.241 1.00 2.21 C ATOM 481 CG LEU A 34 1.480 -24.921 3.111 1.00 0.45 C ATOM 482 CD1 LEU A 34 2.839 -24.399 2.650 1.00 63.44 C ATOM 483 CD2 LEU A 34 0.429 -23.813 3.081 1.00 74.02 C ATOM 0 H LEU A 34 -1.142 -25.480 1.212 1.00 52.24 H new ATOM 0 HA LEU A 34 1.556 -24.963 0.505 1.00 54.12 H new ATOM 0 HB2 LEU A 34 0.093 -26.486 2.622 1.00 2.21 H new ATOM 0 HB3 LEU A 34 1.772 -26.906 2.346 1.00 2.21 H new ATOM 0 HG LEU A 34 1.578 -25.263 4.141 1.00 0.45 H new ATOM 0 HD11 LEU A 34 3.138 -23.559 3.277 1.00 63.44 H new ATOM 0 HD12 LEU A 34 3.581 -25.194 2.731 1.00 63.44 H new ATOM 0 HD13 LEU A 34 2.770 -24.071 1.613 1.00 63.44 H new ATOM 0 HD21 LEU A 34 0.759 -22.982 3.704 1.00 74.02 H new ATOM 0 HD22 LEU A 34 0.294 -23.467 2.056 1.00 74.02 H new ATOM 0 HD23 LEU A 34 -0.517 -24.198 3.461 1.00 74.02 H new ATOM 495 N ALA A 35 0.325 -27.933 -0.212 1.00 22.33 N ATOM 496 CA ALA A 35 0.569 -29.136 -1.005 1.00 2.14 C ATOM 497 C ALA A 35 1.058 -28.777 -2.412 1.00 71.13 C ATOM 498 O ALA A 35 1.981 -29.400 -2.939 1.00 71.44 O ATOM 499 CB ALA A 35 -0.688 -29.997 -1.077 1.00 72.12 C ATOM 0 H ALA A 35 -0.595 -27.894 0.226 1.00 22.33 H new ATOM 0 HA ALA A 35 1.353 -29.711 -0.512 1.00 2.14 H new ATOM 0 HB1 ALA A 35 -0.485 -30.888 -1.672 1.00 72.12 H new ATOM 0 HB2 ALA A 35 -0.985 -30.292 -0.071 1.00 72.12 H new ATOM 0 HB3 ALA A 35 -1.493 -29.427 -1.540 1.00 72.12 H new ATOM 505 N LEU A 36 0.433 -27.765 -3.001 1.00 60.32 N ATOM 506 CA LEU A 36 0.812 -27.271 -4.321 1.00 5.22 C ATOM 507 C LEU A 36 2.159 -26.535 -4.248 1.00 32.42 C ATOM 508 O LEU A 36 3.106 -26.870 -4.969 1.00 24.53 O ATOM 509 CB LEU A 36 -0.308 -26.349 -4.860 1.00 43.41 C ATOM 510 CG LEU A 36 -0.218 -25.919 -6.343 1.00 11.12 C ATOM 511 CD1 LEU A 36 0.851 -24.849 -6.556 1.00 3.22 C ATOM 512 CD2 LEU A 36 0.042 -27.127 -7.243 1.00 70.30 C ATOM 0 H LEU A 36 -0.349 -27.264 -2.579 1.00 60.32 H new ATOM 0 HA LEU A 36 0.934 -28.109 -5.008 1.00 5.22 H new ATOM 0 HB2 LEU A 36 -1.262 -26.855 -4.712 1.00 43.41 H new ATOM 0 HB3 LEU A 36 -0.327 -25.448 -4.248 1.00 43.41 H new ATOM 0 HG LEU A 36 -1.179 -25.484 -6.616 1.00 11.12 H new ATOM 0 HD11 LEU A 36 0.884 -24.573 -7.610 1.00 3.22 H new ATOM 0 HD12 LEU A 36 0.610 -23.970 -5.958 1.00 3.22 H new ATOM 0 HD13 LEU A 36 1.822 -25.240 -6.252 1.00 3.22 H new ATOM 0 HD21 LEU A 36 0.102 -26.801 -8.281 1.00 70.30 H new ATOM 0 HD22 LEU A 36 0.982 -27.599 -6.956 1.00 70.30 H new ATOM 0 HD23 LEU A 36 -0.772 -27.844 -7.134 1.00 70.30 H new ATOM 524 N LEU A 37 2.233 -25.543 -3.365 1.00 22.00 N ATOM 525 CA LEU A 37 3.402 -24.664 -3.255 1.00 0.21 C ATOM 526 C LEU A 37 4.697 -25.437 -2.965 1.00 50.35 C ATOM 527 O LEU A 37 5.731 -25.179 -3.586 1.00 73.01 O ATOM 528 CB LEU A 37 3.158 -23.602 -2.161 1.00 72.43 C ATOM 529 CG LEU A 37 2.455 -22.305 -2.622 1.00 43.44 C ATOM 530 CD1 LEU A 37 3.420 -21.407 -3.384 1.00 4.05 C ATOM 531 CD2 LEU A 37 1.231 -22.607 -3.482 1.00 24.13 C ATOM 0 H LEU A 37 1.487 -25.323 -2.705 1.00 22.00 H new ATOM 0 HA LEU A 37 3.533 -24.177 -4.221 1.00 0.21 H new ATOM 0 HB2 LEU A 37 2.560 -24.055 -1.370 1.00 72.43 H new ATOM 0 HB3 LEU A 37 4.119 -23.335 -1.721 1.00 72.43 H new ATOM 0 HG LEU A 37 2.120 -21.782 -1.726 1.00 43.44 H new ATOM 0 HD11 LEU A 37 2.902 -20.501 -3.698 1.00 4.05 H new ATOM 0 HD12 LEU A 37 4.257 -21.142 -2.738 1.00 4.05 H new ATOM 0 HD13 LEU A 37 3.792 -21.935 -4.262 1.00 4.05 H new ATOM 0 HD21 LEU A 37 0.762 -21.672 -3.788 1.00 24.13 H new ATOM 0 HD22 LEU A 37 1.537 -23.166 -4.366 1.00 24.13 H new ATOM 0 HD23 LEU A 37 0.519 -23.199 -2.907 1.00 24.13 H new ATOM 543 N THR A 38 4.630 -26.400 -2.051 1.00 10.21 N ATOM 544 CA THR A 38 5.826 -27.077 -1.546 1.00 5.04 C ATOM 545 C THR A 38 6.506 -27.942 -2.600 1.00 62.54 C ATOM 546 O THR A 38 7.612 -28.439 -2.384 1.00 50.11 O ATOM 547 CB THR A 38 5.518 -27.936 -0.297 1.00 61.23 C ATOM 548 OG1 THR A 38 4.453 -28.860 -0.584 1.00 1.52 O ATOM 549 CG2 THR A 38 5.136 -27.064 0.896 1.00 31.33 C ATOM 0 H THR A 38 3.757 -26.732 -1.641 1.00 10.21 H new ATOM 0 HA THR A 38 6.514 -26.279 -1.269 1.00 5.04 H new ATOM 0 HB THR A 38 6.421 -28.489 -0.040 1.00 61.23 H new ATOM 0 HG1 THR A 38 3.597 -28.383 -0.585 1.00 1.52 H new ATOM 0 HG21 THR A 38 4.926 -27.698 1.757 1.00 31.33 H new ATOM 0 HG22 THR A 38 5.960 -26.391 1.133 1.00 31.33 H new ATOM 0 HG23 THR A 38 4.249 -26.480 0.650 1.00 31.33 H new ATOM 557 N ARG A 39 5.848 -28.132 -3.732 1.00 14.25 N ATOM 558 CA ARG A 39 6.420 -28.901 -4.812 1.00 24.04 C ATOM 559 C ARG A 39 7.580 -28.142 -5.456 1.00 71.34 C ATOM 560 O ARG A 39 8.457 -28.740 -6.079 1.00 72.22 O ATOM 561 CB ARG A 39 5.337 -29.192 -5.839 1.00 54.52 C ATOM 562 CG ARG A 39 4.136 -29.943 -5.274 1.00 31.23 C ATOM 563 CD ARG A 39 4.544 -31.169 -4.454 1.00 22.04 C ATOM 564 NE ARG A 39 5.528 -32.017 -5.138 1.00 23.20 N ATOM 565 CZ ARG A 39 6.613 -32.524 -4.540 1.00 2.41 C ATOM 566 NH1 ARG A 39 6.835 -32.288 -3.251 1.00 33.22 N ATOM 567 NH2 ARG A 39 7.464 -33.276 -5.227 1.00 12.20 N ATOM 0 H ARG A 39 4.917 -27.762 -3.922 1.00 14.25 H new ATOM 0 HA ARG A 39 6.812 -29.840 -4.421 1.00 24.04 H new ATOM 0 HB2 ARG A 39 4.995 -28.250 -6.269 1.00 54.52 H new ATOM 0 HB3 ARG A 39 5.768 -29.776 -6.652 1.00 54.52 H new ATOM 0 HG2 ARG A 39 3.552 -29.269 -4.647 1.00 31.23 H new ATOM 0 HG3 ARG A 39 3.489 -30.257 -6.094 1.00 31.23 H new ATOM 0 HD2 ARG A 39 4.957 -30.840 -3.500 1.00 22.04 H new ATOM 0 HD3 ARG A 39 3.656 -31.761 -4.230 1.00 22.04 H new ATOM 0 HE ARG A 39 5.377 -32.232 -6.124 1.00 23.20 H new ATOM 0 HH11 ARG A 39 6.178 -31.720 -2.716 1.00 33.22 H new ATOM 0 HH12 ARG A 39 7.662 -32.675 -2.797 1.00 33.22 H new ATOM 0 HH21 ARG A 39 7.292 -33.469 -6.214 1.00 12.20 H new ATOM 0 HH22 ARG A 39 8.290 -33.661 -4.768 1.00 12.20 H new ATOM 581 N ARG A 40 7.555 -26.812 -5.327 1.00 53.35 N ATOM 582 CA ARG A 40 8.622 -25.959 -5.847 1.00 42.31 C ATOM 583 C ARG A 40 9.334 -25.194 -4.730 1.00 74.53 C ATOM 584 O ARG A 40 10.562 -25.131 -4.711 1.00 12.24 O ATOM 585 CB ARG A 40 8.064 -24.980 -6.891 1.00 64.35 C ATOM 586 CG ARG A 40 7.525 -25.679 -8.137 1.00 51.10 C ATOM 587 CD ARG A 40 6.061 -26.085 -8.013 1.00 53.50 C ATOM 588 NE ARG A 40 5.582 -26.736 -9.238 1.00 44.33 N ATOM 589 CZ ARG A 40 5.884 -27.991 -9.600 1.00 71.12 C ATOM 590 NH1 ARG A 40 6.691 -28.734 -8.850 1.00 73.41 N ATOM 591 NH2 ARG A 40 5.393 -28.490 -10.727 1.00 72.30 N ATOM 0 H ARG A 40 6.802 -26.303 -4.864 1.00 53.35 H new ATOM 0 HA ARG A 40 9.357 -26.608 -6.323 1.00 42.31 H new ATOM 0 HB2 ARG A 40 7.267 -24.390 -6.438 1.00 64.35 H new ATOM 0 HB3 ARG A 40 8.849 -24.283 -7.183 1.00 64.35 H new ATOM 0 HG2 ARG A 40 7.640 -25.017 -8.995 1.00 51.10 H new ATOM 0 HG3 ARG A 40 8.126 -26.566 -8.336 1.00 51.10 H new ATOM 0 HD2 ARG A 40 5.940 -26.762 -7.168 1.00 53.50 H new ATOM 0 HD3 ARG A 40 5.454 -25.204 -7.805 1.00 53.50 H new ATOM 0 HE ARG A 40 4.977 -26.196 -9.857 1.00 44.33 H new ATOM 0 HH11 ARG A 40 7.086 -28.350 -7.991 1.00 73.41 H new ATOM 0 HH12 ARG A 40 6.915 -29.688 -9.133 1.00 73.41 H new ATOM 0 HH21 ARG A 40 4.787 -27.919 -11.316 1.00 72.30 H new ATOM 0 HH22 ARG A 40 5.622 -29.445 -11.004 1.00 72.30 H new ATOM 605 N LEU A 41 8.568 -24.616 -3.807 1.00 34.24 N ATOM 606 CA LEU A 41 9.151 -23.802 -2.738 1.00 61.12 C ATOM 607 C LEU A 41 9.912 -24.661 -1.735 1.00 73.41 C ATOM 608 O LEU A 41 9.421 -25.699 -1.280 1.00 54.35 O ATOM 609 CB LEU A 41 8.079 -22.970 -2.010 1.00 3.20 C ATOM 610 CG LEU A 41 7.617 -21.704 -2.744 1.00 25.42 C ATOM 611 CD1 LEU A 41 6.806 -22.054 -3.983 1.00 35.11 C ATOM 612 CD2 LEU A 41 6.830 -20.793 -1.801 1.00 65.23 C ATOM 0 H LEU A 41 7.551 -24.694 -3.776 1.00 34.24 H new ATOM 0 HA LEU A 41 9.854 -23.117 -3.212 1.00 61.12 H new ATOM 0 HB2 LEU A 41 7.210 -23.604 -1.832 1.00 3.20 H new ATOM 0 HB3 LEU A 41 8.468 -22.682 -1.034 1.00 3.20 H new ATOM 0 HG LEU A 41 8.501 -21.160 -3.076 1.00 25.42 H new ATOM 0 HD11 LEU A 41 6.492 -21.138 -4.483 1.00 35.11 H new ATOM 0 HD12 LEU A 41 7.418 -22.647 -4.663 1.00 35.11 H new ATOM 0 HD13 LEU A 41 5.926 -22.628 -3.692 1.00 35.11 H new ATOM 0 HD21 LEU A 41 6.511 -19.901 -2.339 1.00 65.23 H new ATOM 0 HD22 LEU A 41 5.954 -21.324 -1.428 1.00 65.23 H new ATOM 0 HD23 LEU A 41 7.463 -20.504 -0.962 1.00 65.23 H new ATOM 624 N THR A 42 11.113 -24.213 -1.398 1.00 74.31 N ATOM 625 CA THR A 42 11.958 -24.887 -0.423 1.00 41.11 C ATOM 626 C THR A 42 11.493 -24.580 1.000 1.00 41.00 C ATOM 627 O THR A 42 10.656 -23.697 1.205 1.00 32.31 O ATOM 628 CB THR A 42 13.421 -24.428 -0.573 1.00 51.30 C ATOM 629 OG1 THR A 42 13.513 -23.023 -0.287 1.00 51.23 O ATOM 630 CG2 THR A 42 13.936 -24.684 -1.985 1.00 74.30 C ATOM 0 H THR A 42 11.530 -23.370 -1.794 1.00 74.31 H new ATOM 0 HA THR A 42 11.886 -25.959 -0.606 1.00 41.11 H new ATOM 0 HB THR A 42 14.031 -24.998 0.128 1.00 51.30 H new ATOM 0 HG1 THR A 42 14.404 -22.697 -0.533 1.00 51.23 H new ATOM 0 HG21 THR A 42 14.971 -24.350 -2.061 1.00 74.30 H new ATOM 0 HG22 THR A 42 13.882 -25.750 -2.204 1.00 74.30 H new ATOM 0 HG23 THR A 42 13.324 -24.135 -2.701 1.00 74.30 H new ATOM 638 N ASN A 43 12.045 -25.297 1.979 1.00 61.44 N ATOM 639 CA ASN A 43 11.757 -25.026 3.387 1.00 23.11 C ATOM 640 C ASN A 43 12.137 -23.589 3.728 1.00 72.30 C ATOM 641 O ASN A 43 11.420 -22.901 4.455 1.00 71.12 O ATOM 642 CB ASN A 43 12.502 -26.011 4.304 1.00 34.35 C ATOM 643 CG ASN A 43 11.931 -27.420 4.245 1.00 3.52 C ATOM 644 OD1 ASN A 43 12.354 -28.243 3.435 1.00 54.24 O ATOM 645 ND2 ASN A 43 10.962 -27.706 5.105 1.00 61.42 N ATOM 0 H ASN A 43 12.693 -26.069 1.823 1.00 61.44 H new ATOM 0 HA ASN A 43 10.688 -25.160 3.551 1.00 23.11 H new ATOM 0 HB2 ASN A 43 13.554 -26.038 4.021 1.00 34.35 H new ATOM 0 HB3 ASN A 43 12.457 -25.649 5.331 1.00 34.35 H new ATOM 0 HD21 ASN A 43 10.542 -28.635 5.109 1.00 61.42 H new ATOM 0 HD22 ASN A 43 10.638 -26.997 5.762 1.00 61.42 H new ATOM 652 N ASP A 44 13.255 -23.138 3.171 1.00 0.21 N ATOM 653 CA ASP A 44 13.728 -21.768 3.370 1.00 22.12 C ATOM 654 C ASP A 44 12.681 -20.765 2.903 1.00 42.40 C ATOM 655 O ASP A 44 12.335 -19.823 3.621 1.00 60.34 O ATOM 656 CB ASP A 44 15.020 -21.550 2.584 1.00 1.30 C ATOM 657 CG ASP A 44 15.528 -20.113 2.648 1.00 22.22 C ATOM 658 OD1 ASP A 44 16.255 -19.775 3.608 1.00 4.40 O ATOM 659 OD2 ASP A 44 15.228 -19.319 1.724 1.00 41.24 O ATOM 0 H ASP A 44 13.857 -23.704 2.573 1.00 0.21 H new ATOM 0 HA ASP A 44 13.912 -21.618 4.434 1.00 22.12 H new ATOM 0 HB2 ASP A 44 15.790 -22.218 2.970 1.00 1.30 H new ATOM 0 HB3 ASP A 44 14.854 -21.824 1.542 1.00 1.30 H new ATOM 664 N GLU A 45 12.164 -20.995 1.703 1.00 2.43 N ATOM 665 CA GLU A 45 11.213 -20.081 1.088 1.00 12.41 C ATOM 666 C GLU A 45 9.872 -20.095 1.827 1.00 74.32 C ATOM 667 O GLU A 45 9.363 -19.040 2.219 1.00 52.21 O ATOM 668 CB GLU A 45 11.053 -20.435 -0.393 1.00 10.44 C ATOM 669 CG GLU A 45 12.336 -20.221 -1.191 1.00 2.34 C ATOM 670 CD GLU A 45 12.231 -20.704 -2.626 1.00 2.35 C ATOM 671 OE1 GLU A 45 12.306 -21.930 -2.839 1.00 35.01 O ATOM 672 OE2 GLU A 45 12.085 -19.860 -3.533 1.00 64.14 O ATOM 0 H GLU A 45 12.389 -21.811 1.135 1.00 2.43 H new ATOM 0 HA GLU A 45 11.596 -19.063 1.161 1.00 12.41 H new ATOM 0 HB2 GLU A 45 10.744 -21.476 -0.482 1.00 10.44 H new ATOM 0 HB3 GLU A 45 10.257 -19.828 -0.824 1.00 10.44 H new ATOM 0 HG2 GLU A 45 12.586 -19.160 -1.188 1.00 2.34 H new ATOM 0 HG3 GLU A 45 13.156 -20.743 -0.697 1.00 2.34 H new ATOM 679 N ILE A 46 9.313 -21.285 2.051 1.00 40.25 N ATOM 680 CA ILE A 46 8.039 -21.400 2.762 1.00 2.42 C ATOM 681 C ILE A 46 8.146 -20.733 4.137 1.00 23.22 C ATOM 682 O ILE A 46 7.225 -20.041 4.577 1.00 2.24 O ATOM 683 CB ILE A 46 7.574 -22.887 2.893 1.00 34.32 C ATOM 684 CG1 ILE A 46 6.209 -23.007 3.614 1.00 14.42 C ATOM 685 CG2 ILE A 46 8.618 -23.732 3.607 1.00 60.40 C ATOM 686 CD1 ILE A 46 6.286 -23.052 5.135 1.00 5.20 C ATOM 0 H ILE A 46 9.717 -22.173 1.754 1.00 40.25 H new ATOM 0 HA ILE A 46 7.279 -20.883 2.176 1.00 2.42 H new ATOM 0 HB ILE A 46 7.452 -23.266 1.878 1.00 34.32 H new ATOM 0 HG12 ILE A 46 5.585 -22.162 3.322 1.00 14.42 H new ATOM 0 HG13 ILE A 46 5.708 -23.910 3.264 1.00 14.42 H new ATOM 0 HG21 ILE A 46 8.264 -24.760 3.682 1.00 60.40 H new ATOM 0 HG22 ILE A 46 9.551 -23.709 3.044 1.00 60.40 H new ATOM 0 HG23 ILE A 46 8.787 -23.333 4.607 1.00 60.40 H new ATOM 0 HD11 ILE A 46 5.281 -23.136 5.548 1.00 5.20 H new ATOM 0 HD12 ILE A 46 6.879 -23.913 5.444 1.00 5.20 H new ATOM 0 HD13 ILE A 46 6.754 -22.139 5.503 1.00 5.20 H new ATOM 698 N LYS A 47 9.285 -20.927 4.801 1.00 61.14 N ATOM 699 CA LYS A 47 9.522 -20.306 6.101 1.00 33.02 C ATOM 700 C LYS A 47 9.587 -18.787 5.983 1.00 44.41 C ATOM 701 O LYS A 47 8.942 -18.071 6.750 1.00 14.11 O ATOM 702 CB LYS A 47 10.815 -20.829 6.739 1.00 63.24 C ATOM 703 CG LYS A 47 10.677 -22.205 7.383 1.00 43.11 C ATOM 704 CD LYS A 47 11.838 -22.486 8.328 1.00 45.04 C ATOM 705 CE LYS A 47 11.733 -23.871 8.952 1.00 73.15 C ATOM 706 NZ LYS A 47 10.465 -24.052 9.706 1.00 75.33 N ATOM 0 H LYS A 47 10.053 -21.506 4.462 1.00 61.14 H new ATOM 0 HA LYS A 47 8.682 -20.573 6.742 1.00 33.02 H new ATOM 0 HB2 LYS A 47 11.592 -20.873 5.976 1.00 63.24 H new ATOM 0 HB3 LYS A 47 11.149 -20.118 7.494 1.00 63.24 H new ATOM 0 HG2 LYS A 47 9.736 -22.261 7.931 1.00 43.11 H new ATOM 0 HG3 LYS A 47 10.641 -22.971 6.608 1.00 43.11 H new ATOM 0 HD2 LYS A 47 12.779 -22.402 7.784 1.00 45.04 H new ATOM 0 HD3 LYS A 47 11.857 -21.732 9.115 1.00 45.04 H new ATOM 0 HE2 LYS A 47 11.799 -24.626 8.169 1.00 73.15 H new ATOM 0 HE3 LYS A 47 12.578 -24.031 9.622 1.00 73.15 H new ATOM 0 HZ1 LYS A 47 10.522 -24.919 10.277 1.00 75.33 H new ATOM 0 HZ2 LYS A 47 10.313 -23.235 10.331 1.00 75.33 H new ATOM 0 HZ3 LYS A 47 9.672 -24.129 9.038 1.00 75.33 H new ATOM 720 N ALA A 48 10.356 -18.300 5.016 1.00 32.32 N ATOM 721 CA ALA A 48 10.539 -16.862 4.830 1.00 3.50 C ATOM 722 C ALA A 48 9.196 -16.171 4.604 1.00 23.32 C ATOM 723 O ALA A 48 8.980 -15.050 5.067 1.00 52.32 O ATOM 724 CB ALA A 48 11.496 -16.591 3.678 1.00 43.35 C ATOM 0 H ALA A 48 10.864 -18.879 4.347 1.00 32.32 H new ATOM 0 HA ALA A 48 10.978 -16.449 5.738 1.00 3.50 H new ATOM 0 HB1 ALA A 48 11.621 -15.515 3.554 1.00 43.35 H new ATOM 0 HB2 ALA A 48 12.463 -17.046 3.894 1.00 43.35 H new ATOM 0 HB3 ALA A 48 11.091 -17.018 2.760 1.00 43.35 H new ATOM 730 N ILE A 49 8.294 -16.857 3.902 1.00 73.51 N ATOM 731 CA ILE A 49 6.928 -16.366 3.713 1.00 11.34 C ATOM 732 C ILE A 49 6.272 -16.111 5.067 1.00 32.52 C ATOM 733 O ILE A 49 5.646 -15.073 5.284 1.00 25.45 O ATOM 734 CB ILE A 49 6.064 -17.371 2.900 1.00 75.31 C ATOM 735 CG1 ILE A 49 6.615 -17.518 1.474 1.00 71.25 C ATOM 736 CG2 ILE A 49 4.596 -16.937 2.870 1.00 22.32 C ATOM 737 CD1 ILE A 49 6.617 -16.224 0.685 1.00 74.30 C ATOM 0 H ILE A 49 8.484 -17.754 3.455 1.00 73.51 H new ATOM 0 HA ILE A 49 6.988 -15.435 3.149 1.00 11.34 H new ATOM 0 HB ILE A 49 6.116 -18.341 3.394 1.00 75.31 H new ATOM 0 HG12 ILE A 49 7.633 -17.903 1.525 1.00 71.25 H new ATOM 0 HG13 ILE A 49 6.021 -18.259 0.939 1.00 71.25 H new ATOM 0 HG21 ILE A 49 4.015 -17.658 2.295 1.00 22.32 H new ATOM 0 HG22 ILE A 49 4.210 -16.890 3.888 1.00 22.32 H new ATOM 0 HG23 ILE A 49 4.517 -15.954 2.406 1.00 22.32 H new ATOM 0 HD11 ILE A 49 7.020 -16.406 -0.311 1.00 74.30 H new ATOM 0 HD12 ILE A 49 5.598 -15.847 0.601 1.00 74.30 H new ATOM 0 HD13 ILE A 49 7.235 -15.487 1.197 1.00 74.30 H new ATOM 749 N ALA A 50 6.443 -17.062 5.980 1.00 21.02 N ATOM 750 CA ALA A 50 5.885 -16.941 7.321 1.00 1.35 C ATOM 751 C ALA A 50 6.509 -15.762 8.054 1.00 3.30 C ATOM 752 O ALA A 50 5.807 -14.848 8.483 1.00 40.12 O ATOM 753 CB ALA A 50 6.114 -18.224 8.114 1.00 61.30 C ATOM 0 H ALA A 50 6.963 -17.924 5.815 1.00 21.02 H new ATOM 0 HA ALA A 50 4.812 -16.771 7.228 1.00 1.35 H new ATOM 0 HB1 ALA A 50 5.691 -18.115 9.113 1.00 61.30 H new ATOM 0 HB2 ALA A 50 5.631 -19.058 7.604 1.00 61.30 H new ATOM 0 HB3 ALA A 50 7.184 -18.417 8.193 1.00 61.30 H new ATOM 759 N GLU A 51 7.839 -15.760 8.128 1.00 14.35 N ATOM 760 CA GLU A 51 8.575 -14.757 8.899 1.00 45.45 C ATOM 761 C GLU A 51 8.224 -13.344 8.430 1.00 61.23 C ATOM 762 O GLU A 51 8.221 -12.393 9.217 1.00 40.34 O ATOM 763 CB GLU A 51 10.093 -14.979 8.776 1.00 4.25 C ATOM 764 CG GLU A 51 10.548 -16.418 9.029 1.00 61.30 C ATOM 765 CD GLU A 51 12.055 -16.529 9.209 1.00 30.31 C ATOM 766 OE1 GLU A 51 12.769 -16.712 8.204 1.00 71.41 O ATOM 767 OE2 GLU A 51 12.532 -16.431 10.362 1.00 71.15 O ATOM 0 H GLU A 51 8.432 -16.446 7.661 1.00 14.35 H new ATOM 0 HA GLU A 51 8.284 -14.865 9.944 1.00 45.45 H new ATOM 0 HB2 GLU A 51 10.411 -14.682 7.777 1.00 4.25 H new ATOM 0 HB3 GLU A 51 10.602 -14.322 9.481 1.00 4.25 H new ATOM 0 HG2 GLU A 51 10.050 -16.802 9.919 1.00 61.30 H new ATOM 0 HG3 GLU A 51 10.238 -17.046 8.194 1.00 61.30 H new ATOM 774 N ASP A 52 7.949 -13.216 7.139 1.00 54.12 N ATOM 775 CA ASP A 52 7.590 -11.929 6.546 1.00 62.53 C ATOM 776 C ASP A 52 6.153 -11.545 6.906 1.00 5.34 C ATOM 777 O ASP A 52 5.899 -10.449 7.408 1.00 13.14 O ATOM 778 CB ASP A 52 7.766 -11.970 5.019 1.00 51.25 C ATOM 779 CG ASP A 52 7.571 -10.604 4.370 1.00 13.15 C ATOM 780 OD1 ASP A 52 8.393 -9.700 4.626 1.00 61.55 O ATOM 781 OD2 ASP A 52 6.605 -10.429 3.600 1.00 55.20 O ATOM 0 H ASP A 52 7.967 -13.991 6.476 1.00 54.12 H new ATOM 0 HA ASP A 52 8.259 -11.171 6.953 1.00 62.53 H new ATOM 0 HB2 ASP A 52 8.763 -12.342 4.782 1.00 51.25 H new ATOM 0 HB3 ASP A 52 7.053 -12.676 4.593 1.00 51.25 H new ATOM 786 N LEU A 53 5.221 -12.467 6.683 1.00 34.00 N ATOM 787 CA LEU A 53 3.799 -12.190 6.898 1.00 31.15 C ATOM 788 C LEU A 53 3.455 -12.046 8.388 1.00 63.44 C ATOM 789 O LEU A 53 2.490 -11.361 8.738 1.00 24.44 O ATOM 790 CB LEU A 53 2.932 -13.284 6.250 1.00 23.10 C ATOM 791 CG LEU A 53 2.998 -13.356 4.709 1.00 30.23 C ATOM 792 CD1 LEU A 53 2.107 -14.478 4.181 1.00 73.53 C ATOM 793 CD2 LEU A 53 2.607 -12.017 4.084 1.00 2.44 C ATOM 0 H LEU A 53 5.421 -13.411 6.354 1.00 34.00 H new ATOM 0 HA LEU A 53 3.581 -11.234 6.421 1.00 31.15 H new ATOM 0 HB2 LEU A 53 3.233 -14.250 6.655 1.00 23.10 H new ATOM 0 HB3 LEU A 53 1.895 -13.124 6.545 1.00 23.10 H new ATOM 0 HG LEU A 53 4.027 -13.575 4.425 1.00 30.23 H new ATOM 0 HD11 LEU A 53 2.169 -14.510 3.093 1.00 73.53 H new ATOM 0 HD12 LEU A 53 2.440 -15.431 4.592 1.00 73.53 H new ATOM 0 HD13 LEU A 53 1.075 -14.295 4.480 1.00 73.53 H new ATOM 0 HD21 LEU A 53 2.661 -12.093 2.998 1.00 2.44 H new ATOM 0 HD22 LEU A 53 1.590 -11.761 4.380 1.00 2.44 H new ATOM 0 HD23 LEU A 53 3.291 -11.241 4.428 1.00 2.44 H new ATOM 805 N GLU A 54 4.243 -12.673 9.263 1.00 42.35 N ATOM 806 CA GLU A 54 4.009 -12.574 10.709 1.00 71.35 C ATOM 807 C GLU A 54 4.156 -11.127 11.182 1.00 51.43 C ATOM 808 O GLU A 54 3.568 -10.729 12.190 1.00 2.04 O ATOM 809 CB GLU A 54 4.966 -13.485 11.495 1.00 71.34 C ATOM 810 CG GLU A 54 4.745 -14.976 11.254 1.00 45.42 C ATOM 811 CD GLU A 54 5.548 -15.854 12.201 1.00 2.40 C ATOM 812 OE1 GLU A 54 6.766 -16.025 11.977 1.00 25.13 O ATOM 813 OE2 GLU A 54 4.966 -16.371 13.178 1.00 1.20 O ATOM 0 H GLU A 54 5.042 -13.250 9.002 1.00 42.35 H new ATOM 0 HA GLU A 54 2.989 -12.906 10.900 1.00 71.35 H new ATOM 0 HB2 GLU A 54 5.992 -13.233 11.228 1.00 71.34 H new ATOM 0 HB3 GLU A 54 4.854 -13.279 12.560 1.00 71.34 H new ATOM 0 HG2 GLU A 54 3.685 -15.204 11.366 1.00 45.42 H new ATOM 0 HG3 GLU A 54 5.016 -15.217 10.226 1.00 45.42 H new ATOM 820 N LYS A 55 4.929 -10.342 10.433 1.00 30.13 N ATOM 821 CA LYS A 55 5.135 -8.927 10.744 1.00 60.30 C ATOM 822 C LYS A 55 3.801 -8.173 10.700 1.00 11.44 C ATOM 823 O LYS A 55 3.624 -7.152 11.372 1.00 63.12 O ATOM 824 CB LYS A 55 6.127 -8.306 9.745 1.00 20.00 C ATOM 825 CG LYS A 55 7.488 -9.003 9.707 1.00 21.43 C ATOM 826 CD LYS A 55 8.321 -8.735 10.960 1.00 14.14 C ATOM 827 CE LYS A 55 8.816 -7.291 11.022 1.00 75.02 C ATOM 828 NZ LYS A 55 9.675 -6.942 9.854 1.00 63.03 N ATOM 0 H LYS A 55 5.426 -10.664 9.602 1.00 30.13 H new ATOM 0 HA LYS A 55 5.549 -8.846 11.749 1.00 60.30 H new ATOM 0 HB2 LYS A 55 5.688 -8.333 8.748 1.00 20.00 H new ATOM 0 HB3 LYS A 55 6.274 -7.256 10.000 1.00 20.00 H new ATOM 0 HG2 LYS A 55 7.339 -10.077 9.597 1.00 21.43 H new ATOM 0 HG3 LYS A 55 8.040 -8.666 8.829 1.00 21.43 H new ATOM 0 HD2 LYS A 55 7.723 -8.951 11.845 1.00 14.14 H new ATOM 0 HD3 LYS A 55 9.175 -9.412 10.979 1.00 14.14 H new ATOM 0 HE2 LYS A 55 7.961 -6.616 11.057 1.00 75.02 H new ATOM 0 HE3 LYS A 55 9.379 -7.140 11.943 1.00 75.02 H new ATOM 0 HZ1 LYS A 55 10.423 -6.286 10.157 1.00 63.03 H new ATOM 0 HZ2 LYS A 55 10.107 -7.807 9.470 1.00 63.03 H new ATOM 0 HZ3 LYS A 55 9.095 -6.489 9.119 1.00 63.03 H new ATOM 842 N ARG A 56 2.863 -8.700 9.914 1.00 63.50 N ATOM 843 CA ARG A 56 1.540 -8.093 9.768 1.00 74.04 C ATOM 844 C ARG A 56 0.711 -8.306 11.028 1.00 1.10 C ATOM 845 O ARG A 56 0.234 -7.346 11.640 1.00 45.04 O ATOM 846 CB ARG A 56 0.807 -8.710 8.572 1.00 13.44 C ATOM 847 CG ARG A 56 1.530 -8.534 7.246 1.00 60.23 C ATOM 848 CD ARG A 56 0.823 -9.280 6.121 1.00 20.44 C ATOM 849 NE ARG A 56 -0.574 -8.860 5.967 1.00 20.11 N ATOM 850 CZ ARG A 56 -1.041 -8.193 4.911 1.00 51.15 C ATOM 851 NH1 ARG A 56 -0.213 -7.798 3.956 1.00 31.34 N ATOM 852 NH2 ARG A 56 -2.335 -7.912 4.818 1.00 24.14 N ATOM 0 H ARG A 56 2.996 -9.550 9.366 1.00 63.50 H new ATOM 0 HA ARG A 56 1.672 -7.023 9.604 1.00 74.04 H new ATOM 0 HB2 ARG A 56 0.663 -9.774 8.757 1.00 13.44 H new ATOM 0 HB3 ARG A 56 -0.184 -8.263 8.496 1.00 13.44 H new ATOM 0 HG2 ARG A 56 1.589 -7.474 7.000 1.00 60.23 H new ATOM 0 HG3 ARG A 56 2.554 -8.897 7.338 1.00 60.23 H new ATOM 0 HD2 ARG A 56 1.356 -9.112 5.185 1.00 20.44 H new ATOM 0 HD3 ARG A 56 0.858 -10.351 6.320 1.00 20.44 H new ATOM 0 HE ARG A 56 -1.229 -9.093 6.714 1.00 20.11 H new ATOM 0 HH11 ARG A 56 0.783 -8.004 4.028 1.00 31.34 H new ATOM 0 HH12 ARG A 56 -0.572 -7.288 3.149 1.00 31.34 H new ATOM 0 HH21 ARG A 56 -2.975 -8.206 5.556 1.00 24.14 H new ATOM 0 HH22 ARG A 56 -2.689 -7.402 4.009 1.00 24.14 H new ATOM 866 N ALA A 57 0.574 -9.568 11.427 1.00 75.53 N ATOM 867 CA ALA A 57 -0.248 -9.932 12.575 1.00 40.24 C ATOM 868 C ALA A 57 -0.013 -11.389 12.964 1.00 71.25 C ATOM 869 O ALA A 57 -0.468 -12.313 12.281 1.00 53.35 O ATOM 870 CB ALA A 57 -1.724 -9.688 12.272 1.00 34.42 C ATOM 0 H ALA A 57 1.025 -10.359 10.968 1.00 75.53 H new ATOM 0 HA ALA A 57 0.039 -9.303 13.418 1.00 40.24 H new ATOM 0 HB1 ALA A 57 -2.324 -9.965 13.139 1.00 34.42 H new ATOM 0 HB2 ALA A 57 -1.879 -8.633 12.045 1.00 34.42 H new ATOM 0 HB3 ALA A 57 -2.024 -10.292 11.415 1.00 34.42 H new ATOM 876 N HIS A 58 0.711 -11.590 14.055 1.00 23.12 N ATOM 877 CA HIS A 58 1.029 -12.927 14.545 1.00 21.31 C ATOM 878 C HIS A 58 -0.165 -13.532 15.289 1.00 2.53 C ATOM 879 O HIS A 58 -0.207 -13.523 16.516 1.00 62.41 O ATOM 880 CB HIS A 58 2.261 -12.873 15.464 1.00 52.13 C ATOM 881 CG HIS A 58 2.676 -14.204 16.018 1.00 71.23 C ATOM 882 ND1 HIS A 58 2.102 -14.763 17.139 1.00 12.41 N ATOM 883 CD2 HIS A 58 3.617 -15.086 15.604 1.00 64.10 C ATOM 884 CE1 HIS A 58 2.670 -15.926 17.394 1.00 73.52 C ATOM 885 NE2 HIS A 58 3.590 -16.145 16.476 1.00 44.32 N ATOM 0 H HIS A 58 1.094 -10.836 14.625 1.00 23.12 H new ATOM 0 HA HIS A 58 1.254 -13.564 13.689 1.00 21.31 H new ATOM 0 HB2 HIS A 58 3.096 -12.448 14.908 1.00 52.13 H new ATOM 0 HB3 HIS A 58 2.052 -12.197 16.293 1.00 52.13 H new ATOM 0 HD1 HIS A 58 1.352 -14.342 17.688 1.00 12.41 H new ATOM 0 HD2 HIS A 58 4.267 -14.976 14.748 1.00 64.10 H new ATOM 0 HE1 HIS A 58 2.424 -16.585 18.213 1.00 73.52 H new ATOM 894 N PHE A 59 -1.152 -14.023 14.540 1.00 45.53 N ATOM 895 CA PHE A 59 -2.303 -14.709 15.138 1.00 61.11 C ATOM 896 C PHE A 59 -2.084 -16.221 15.166 1.00 4.21 C ATOM 897 O PHE A 59 -2.838 -16.946 15.817 1.00 51.30 O ATOM 898 CB PHE A 59 -3.603 -14.362 14.397 1.00 63.21 C ATOM 899 CG PHE A 59 -4.119 -12.982 14.721 1.00 13.13 C ATOM 900 CD1 PHE A 59 -4.647 -12.710 15.977 1.00 55.13 C ATOM 901 CD2 PHE A 59 -4.076 -11.963 13.783 1.00 72.53 C ATOM 902 CE1 PHE A 59 -5.117 -11.452 16.289 1.00 72.34 C ATOM 903 CE2 PHE A 59 -4.548 -10.700 14.091 1.00 53.22 C ATOM 904 CZ PHE A 59 -5.067 -10.446 15.345 1.00 32.55 C ATOM 0 H PHE A 59 -1.180 -13.960 13.522 1.00 45.53 H new ATOM 0 HA PHE A 59 -2.399 -14.360 16.166 1.00 61.11 H new ATOM 0 HB2 PHE A 59 -3.433 -14.437 13.323 1.00 63.21 H new ATOM 0 HB3 PHE A 59 -4.366 -15.098 14.651 1.00 63.21 H new ATOM 0 HD1 PHE A 59 -4.690 -13.494 16.718 1.00 55.13 H new ATOM 0 HD2 PHE A 59 -3.670 -12.157 12.801 1.00 72.53 H new ATOM 0 HE1 PHE A 59 -5.523 -11.254 17.270 1.00 72.34 H new ATOM 0 HE2 PHE A 59 -4.511 -9.914 13.352 1.00 53.22 H new ATOM 0 HZ PHE A 59 -5.434 -9.460 15.587 1.00 32.55 H new ATOM 914 N ASP A 60 -1.071 -16.686 14.432 1.00 3.23 N ATOM 915 CA ASP A 60 -0.611 -18.087 14.500 1.00 22.13 C ATOM 916 C ASP A 60 -1.562 -19.084 13.822 1.00 20.41 C ATOM 917 O ASP A 60 -1.106 -20.030 13.185 1.00 31.31 O ATOM 918 CB ASP A 60 -0.366 -18.504 15.963 1.00 1.13 C ATOM 919 CG ASP A 60 -0.189 -20.006 16.125 1.00 72.32 C ATOM 920 OD1 ASP A 60 0.868 -20.532 15.734 1.00 64.02 O ATOM 921 OD2 ASP A 60 -1.113 -20.671 16.649 1.00 21.21 O ATOM 0 H ASP A 60 -0.544 -16.110 13.775 1.00 3.23 H new ATOM 0 HA ASP A 60 0.324 -18.122 13.941 1.00 22.13 H new ATOM 0 HB2 ASP A 60 0.522 -17.995 16.337 1.00 1.13 H new ATOM 0 HB3 ASP A 60 -1.205 -18.173 16.576 1.00 1.13 H new ATOM 926 N HIS A 61 -2.870 -18.883 13.950 1.00 13.11 N ATOM 927 CA HIS A 61 -3.849 -19.875 13.487 1.00 64.41 C ATOM 928 C HIS A 61 -3.765 -20.117 11.971 1.00 11.03 C ATOM 929 O HIS A 61 -4.276 -21.116 11.468 1.00 35.12 O ATOM 930 CB HIS A 61 -5.270 -19.443 13.873 1.00 74.10 C ATOM 931 CG HIS A 61 -6.290 -20.519 13.650 1.00 43.02 C ATOM 932 ND1 HIS A 61 -7.254 -20.462 12.668 1.00 14.13 N ATOM 933 CD2 HIS A 61 -6.482 -21.694 14.295 1.00 43.44 C ATOM 934 CE1 HIS A 61 -7.993 -21.552 12.721 1.00 75.35 C ATOM 935 NE2 HIS A 61 -7.547 -22.315 13.697 1.00 64.30 N ATOM 0 H HIS A 61 -3.280 -18.048 14.368 1.00 13.11 H new ATOM 0 HA HIS A 61 -3.608 -20.816 13.981 1.00 64.41 H new ATOM 0 HB2 HIS A 61 -5.282 -19.150 14.923 1.00 74.10 H new ATOM 0 HB3 HIS A 61 -5.546 -18.562 13.293 1.00 74.10 H new ATOM 0 HD2 HIS A 61 -5.904 -22.071 15.126 1.00 43.44 H new ATOM 0 HE1 HIS A 61 -8.825 -21.781 12.072 1.00 75.35 H new ATOM 0 HE2 HIS A 61 -7.932 -23.221 13.964 1.00 64.30 H new ATOM 944 N ILE A 62 -3.117 -19.203 11.256 1.00 73.14 N ATOM 945 CA ILE A 62 -2.960 -19.314 9.800 1.00 65.44 C ATOM 946 C ILE A 62 -1.543 -19.819 9.461 1.00 41.11 C ATOM 947 O ILE A 62 -1.099 -19.745 8.315 1.00 32.13 O ATOM 948 CB ILE A 62 -3.214 -17.936 9.107 1.00 10.35 C ATOM 949 CG1 ILE A 62 -4.534 -17.300 9.595 1.00 42.10 C ATOM 950 CG2 ILE A 62 -3.237 -18.070 7.580 1.00 43.04 C ATOM 951 CD1 ILE A 62 -5.783 -17.897 8.977 1.00 32.42 C ATOM 0 H ILE A 62 -2.688 -18.370 11.659 1.00 73.14 H new ATOM 0 HA ILE A 62 -3.696 -20.027 9.428 1.00 65.44 H new ATOM 0 HB ILE A 62 -2.386 -17.284 9.384 1.00 10.35 H new ATOM 0 HG12 ILE A 62 -4.594 -17.404 10.678 1.00 42.10 H new ATOM 0 HG13 ILE A 62 -4.511 -16.232 9.378 1.00 42.10 H new ATOM 0 HG21 ILE A 62 -3.416 -17.093 7.132 1.00 43.04 H new ATOM 0 HG22 ILE A 62 -2.279 -18.458 7.234 1.00 43.04 H new ATOM 0 HG23 ILE A 62 -4.033 -18.755 7.287 1.00 43.04 H new ATOM 0 HD11 ILE A 62 -6.663 -17.392 9.375 1.00 32.42 H new ATOM 0 HD12 ILE A 62 -5.750 -17.770 7.895 1.00 32.42 H new ATOM 0 HD13 ILE A 62 -5.835 -18.959 9.216 1.00 32.42 H new ATOM 963 N ASP A 63 -0.839 -20.347 10.473 1.00 1.43 N ATOM 964 CA ASP A 63 0.566 -20.762 10.321 1.00 15.25 C ATOM 965 C ASP A 63 0.756 -21.670 9.107 1.00 43.10 C ATOM 966 O ASP A 63 0.150 -22.736 9.005 1.00 22.32 O ATOM 967 CB ASP A 63 1.080 -21.473 11.583 1.00 62.22 C ATOM 968 CG ASP A 63 2.578 -21.766 11.518 1.00 62.44 C ATOM 969 OD1 ASP A 63 2.978 -22.762 10.877 1.00 71.15 O ATOM 970 OD2 ASP A 63 3.365 -20.993 12.101 1.00 31.43 O ATOM 0 H ASP A 63 -1.219 -20.497 11.407 1.00 1.43 H new ATOM 0 HA ASP A 63 1.147 -19.852 10.169 1.00 15.25 H new ATOM 0 HB2 ASP A 63 0.871 -20.854 12.456 1.00 62.22 H new ATOM 0 HB3 ASP A 63 0.535 -22.408 11.717 1.00 62.22 H new ATOM 975 N ILE A 64 1.626 -21.229 8.211 1.00 35.01 N ATOM 976 CA ILE A 64 1.880 -21.896 6.937 1.00 74.34 C ATOM 977 C ILE A 64 2.672 -23.194 7.113 1.00 73.52 C ATOM 978 O ILE A 64 2.498 -24.147 6.347 1.00 13.12 O ATOM 979 CB ILE A 64 2.629 -20.922 5.992 1.00 55.31 C ATOM 980 CG1 ILE A 64 3.022 -21.601 4.679 1.00 32.33 C ATOM 981 CG2 ILE A 64 3.864 -20.347 6.682 1.00 31.33 C ATOM 982 CD1 ILE A 64 3.292 -20.633 3.548 1.00 23.31 C ATOM 0 H ILE A 64 2.185 -20.386 8.348 1.00 35.01 H new ATOM 0 HA ILE A 64 0.921 -22.171 6.499 1.00 74.34 H new ATOM 0 HB ILE A 64 1.946 -20.106 5.754 1.00 55.31 H new ATOM 0 HG12 ILE A 64 3.912 -22.207 4.846 1.00 32.33 H new ATOM 0 HG13 ILE A 64 2.225 -22.282 4.380 1.00 32.33 H new ATOM 0 HG21 ILE A 64 4.376 -19.666 6.003 1.00 31.33 H new ATOM 0 HG22 ILE A 64 3.561 -19.806 7.578 1.00 31.33 H new ATOM 0 HG23 ILE A 64 4.537 -21.158 6.958 1.00 31.33 H new ATOM 0 HD11 ILE A 64 3.565 -21.189 2.651 1.00 23.31 H new ATOM 0 HD12 ILE A 64 2.396 -20.044 3.352 1.00 23.31 H new ATOM 0 HD13 ILE A 64 4.110 -19.968 3.826 1.00 23.31 H new ATOM 994 N GLY A 65 3.511 -23.245 8.140 1.00 24.22 N ATOM 995 CA GLY A 65 4.351 -24.408 8.360 1.00 1.30 C ATOM 996 C GLY A 65 3.559 -25.609 8.850 1.00 31.50 C ATOM 997 O GLY A 65 3.879 -26.752 8.510 1.00 64.12 O ATOM 0 H GLY A 65 3.625 -22.500 8.827 1.00 24.22 H new ATOM 0 HA2 GLY A 65 4.860 -24.666 7.432 1.00 1.30 H new ATOM 0 HA3 GLY A 65 5.123 -24.163 9.089 1.00 1.30 H new ATOM 1001 N VAL A 66 2.523 -25.345 9.648 1.00 52.41 N ATOM 1002 CA VAL A 66 1.667 -26.399 10.192 1.00 10.01 C ATOM 1003 C VAL A 66 1.080 -27.256 9.073 1.00 22.33 C ATOM 1004 O VAL A 66 1.004 -28.481 9.191 1.00 54.21 O ATOM 1005 CB VAL A 66 0.511 -25.812 11.052 1.00 42.25 C ATOM 1006 CG1 VAL A 66 -0.452 -26.911 11.508 1.00 35.32 C ATOM 1007 CG2 VAL A 66 1.065 -25.050 12.258 1.00 25.14 C ATOM 0 H VAL A 66 2.256 -24.403 9.933 1.00 52.41 H new ATOM 0 HA VAL A 66 2.295 -27.020 10.831 1.00 10.01 H new ATOM 0 HB VAL A 66 -0.046 -25.113 10.428 1.00 42.25 H new ATOM 0 HG11 VAL A 66 -1.249 -26.471 12.107 1.00 35.32 H new ATOM 0 HG12 VAL A 66 -0.883 -27.402 10.636 1.00 35.32 H new ATOM 0 HG13 VAL A 66 0.089 -27.644 12.107 1.00 35.32 H new ATOM 0 HG21 VAL A 66 0.239 -24.648 12.845 1.00 25.14 H new ATOM 0 HG22 VAL A 66 1.654 -25.727 12.877 1.00 25.14 H new ATOM 0 HG23 VAL A 66 1.696 -24.231 11.912 1.00 25.14 H new ATOM 1017 N LEU A 67 0.692 -26.609 7.977 1.00 55.10 N ATOM 1018 CA LEU A 67 0.077 -27.305 6.854 1.00 53.21 C ATOM 1019 C LEU A 67 0.986 -28.419 6.333 1.00 52.34 C ATOM 1020 O LEU A 67 0.514 -29.513 6.017 1.00 51.42 O ATOM 1021 CB LEU A 67 -0.272 -26.330 5.719 1.00 43.44 C ATOM 1022 CG LEU A 67 -1.448 -25.372 5.984 1.00 1.21 C ATOM 1023 CD1 LEU A 67 -2.545 -26.042 6.802 1.00 3.51 C ATOM 1024 CD2 LEU A 67 -0.973 -24.082 6.641 1.00 50.24 C ATOM 0 H LEU A 67 0.793 -25.603 7.844 1.00 55.10 H new ATOM 0 HA LEU A 67 -0.848 -27.755 7.216 1.00 53.21 H new ATOM 0 HB2 LEU A 67 0.612 -25.733 5.496 1.00 43.44 H new ATOM 0 HB3 LEU A 67 -0.498 -26.911 4.825 1.00 43.44 H new ATOM 0 HG LEU A 67 -1.880 -25.111 5.018 1.00 1.21 H new ATOM 0 HD11 LEU A 67 -3.358 -25.335 6.969 1.00 3.51 H new ATOM 0 HD12 LEU A 67 -2.924 -26.909 6.261 1.00 3.51 H new ATOM 0 HD13 LEU A 67 -2.139 -26.362 7.762 1.00 3.51 H new ATOM 0 HD21 LEU A 67 -1.826 -23.427 6.815 1.00 50.24 H new ATOM 0 HD22 LEU A 67 -0.493 -24.313 7.592 1.00 50.24 H new ATOM 0 HD23 LEU A 67 -0.259 -23.582 5.987 1.00 50.24 H new ATOM 1036 N ILE A 68 2.285 -28.149 6.275 1.00 31.54 N ATOM 1037 CA ILE A 68 3.260 -29.126 5.792 1.00 2.51 C ATOM 1038 C ILE A 68 3.289 -30.352 6.707 1.00 51.44 C ATOM 1039 O ILE A 68 3.460 -31.487 6.245 1.00 60.32 O ATOM 1040 CB ILE A 68 4.682 -28.515 5.700 1.00 45.02 C ATOM 1041 CG1 ILE A 68 4.666 -27.268 4.800 1.00 32.52 C ATOM 1042 CG2 ILE A 68 5.684 -29.546 5.175 1.00 72.11 C ATOM 1043 CD1 ILE A 68 6.019 -26.603 4.650 1.00 31.33 C ATOM 0 H ILE A 68 2.691 -27.257 6.558 1.00 31.54 H new ATOM 0 HA ILE A 68 2.950 -29.427 4.791 1.00 2.51 H new ATOM 0 HB ILE A 68 4.996 -28.219 6.701 1.00 45.02 H new ATOM 0 HG12 ILE A 68 4.298 -27.549 3.813 1.00 32.52 H new ATOM 0 HG13 ILE A 68 3.960 -26.545 5.209 1.00 32.52 H new ATOM 0 HG21 ILE A 68 6.675 -29.095 5.119 1.00 72.11 H new ATOM 0 HG22 ILE A 68 5.713 -30.402 5.850 1.00 72.11 H new ATOM 0 HG23 ILE A 68 5.379 -29.877 4.182 1.00 72.11 H new ATOM 0 HD11 ILE A 68 5.926 -25.732 4.001 1.00 31.33 H new ATOM 0 HD12 ILE A 68 6.381 -26.290 5.629 1.00 31.33 H new ATOM 0 HD13 ILE A 68 6.725 -27.309 4.211 1.00 31.33 H new ATOM 1055 N THR A 69 3.092 -30.118 8.002 1.00 24.31 N ATOM 1056 CA THR A 69 3.113 -31.185 8.990 1.00 33.41 C ATOM 1057 C THR A 69 1.872 -32.061 8.838 1.00 42.44 C ATOM 1058 O THR A 69 1.887 -33.254 9.152 1.00 21.42 O ATOM 1059 CB THR A 69 3.184 -30.597 10.421 1.00 21.35 C ATOM 1060 OG1 THR A 69 4.288 -29.681 10.507 1.00 24.41 O ATOM 1061 CG2 THR A 69 3.350 -31.695 11.466 1.00 64.12 C ATOM 0 H THR A 69 2.915 -29.191 8.390 1.00 24.31 H new ATOM 0 HA THR A 69 4.000 -31.797 8.825 1.00 33.41 H new ATOM 0 HB THR A 69 2.248 -30.076 10.622 1.00 21.35 H new ATOM 0 HG1 THR A 69 4.333 -29.307 11.412 1.00 24.41 H new ATOM 0 HG21 THR A 69 3.396 -31.248 12.459 1.00 64.12 H new ATOM 0 HG22 THR A 69 2.502 -32.378 11.414 1.00 64.12 H new ATOM 0 HG23 THR A 69 4.271 -32.245 11.272 1.00 64.12 H new ATOM 1069 N GLN A 70 0.798 -31.454 8.344 1.00 34.14 N ATOM 1070 CA GLN A 70 -0.438 -32.177 8.079 1.00 71.34 C ATOM 1071 C GLN A 70 -0.303 -32.989 6.794 1.00 10.03 C ATOM 1072 O GLN A 70 -0.608 -34.176 6.764 1.00 34.11 O ATOM 1073 CB GLN A 70 -1.617 -31.198 7.976 1.00 31.34 C ATOM 1074 CG GLN A 70 -1.689 -30.228 9.148 1.00 51.21 C ATOM 1075 CD GLN A 70 -3.076 -29.638 9.348 1.00 22.45 C ATOM 1076 OE1 GLN A 70 -3.913 -30.207 10.045 1.00 33.32 O ATOM 1077 NE2 GLN A 70 -3.326 -28.488 8.746 1.00 21.40 N ATOM 0 H GLN A 70 0.760 -30.460 8.119 1.00 34.14 H new ATOM 0 HA GLN A 70 -0.631 -32.861 8.905 1.00 71.34 H new ATOM 0 HB2 GLN A 70 -1.532 -30.632 7.048 1.00 31.34 H new ATOM 0 HB3 GLN A 70 -2.548 -31.763 7.921 1.00 31.34 H new ATOM 0 HG2 GLN A 70 -1.385 -30.744 10.059 1.00 51.21 H new ATOM 0 HG3 GLN A 70 -0.976 -29.419 8.987 1.00 51.21 H new ATOM 0 HE21 GLN A 70 -2.607 -28.044 8.175 1.00 21.40 H new ATOM 0 HE22 GLN A 70 -4.238 -28.044 8.853 1.00 21.40 H new ATOM 1086 N MET A 71 0.191 -32.331 5.750 1.00 14.01 N ATOM 1087 CA MET A 71 0.330 -32.938 4.424 1.00 13.13 C ATOM 1088 C MET A 71 1.158 -34.223 4.463 1.00 21.22 C ATOM 1089 O MET A 71 0.825 -35.201 3.792 1.00 40.43 O ATOM 1090 CB MET A 71 0.983 -31.943 3.462 1.00 61.13 C ATOM 1091 CG MET A 71 0.085 -30.773 3.046 1.00 14.31 C ATOM 1092 SD MET A 71 1.004 -29.229 2.880 1.00 65.25 S ATOM 1093 CE MET A 71 2.441 -29.783 1.967 1.00 3.01 C ATOM 0 H MET A 71 0.507 -31.362 5.796 1.00 14.01 H new ATOM 0 HA MET A 71 -0.671 -33.195 4.078 1.00 13.13 H new ATOM 0 HB2 MET A 71 1.884 -31.544 3.929 1.00 61.13 H new ATOM 0 HB3 MET A 71 1.299 -32.478 2.566 1.00 61.13 H new ATOM 0 HG2 MET A 71 -0.399 -31.009 2.098 1.00 14.31 H new ATOM 0 HG3 MET A 71 -0.706 -30.645 3.785 1.00 14.31 H new ATOM 0 HE1 MET A 71 2.834 -28.959 1.371 1.00 3.01 H new ATOM 0 HE2 MET A 71 3.206 -30.124 2.665 1.00 3.01 H new ATOM 0 HE3 MET A 71 2.159 -30.604 1.308 1.00 3.01 H new ATOM 1103 N THR A 72 2.240 -34.213 5.241 1.00 74.35 N ATOM 1104 CA THR A 72 3.137 -35.366 5.318 1.00 54.12 C ATOM 1105 C THR A 72 2.383 -36.599 5.810 1.00 21.40 C ATOM 1106 O THR A 72 2.695 -37.733 5.431 1.00 10.21 O ATOM 1107 CB THR A 72 4.351 -35.096 6.248 1.00 4.43 C ATOM 1108 OG1 THR A 72 5.365 -36.088 6.037 1.00 54.05 O ATOM 1109 CG2 THR A 72 3.949 -35.097 7.719 1.00 32.34 C ATOM 0 H THR A 72 2.516 -33.423 5.824 1.00 74.35 H new ATOM 0 HA THR A 72 3.514 -35.545 4.311 1.00 54.12 H new ATOM 0 HB THR A 72 4.737 -34.108 5.999 1.00 4.43 H new ATOM 0 HG1 THR A 72 6.127 -35.908 6.627 1.00 54.05 H new ATOM 0 HG21 THR A 72 4.827 -34.905 8.336 1.00 32.34 H new ATOM 0 HG22 THR A 72 3.205 -34.320 7.893 1.00 32.34 H new ATOM 0 HG23 THR A 72 3.527 -36.068 7.980 1.00 32.34 H new ATOM 1117 N ASP A 73 1.381 -36.358 6.637 1.00 14.31 N ATOM 1118 CA ASP A 73 0.609 -37.420 7.261 1.00 73.20 C ATOM 1119 C ASP A 73 -0.597 -37.778 6.400 1.00 63.12 C ATOM 1120 O ASP A 73 -0.829 -38.945 6.080 1.00 62.50 O ATOM 1121 CB ASP A 73 0.156 -36.958 8.645 1.00 53.23 C ATOM 1122 CG ASP A 73 -0.673 -38.005 9.380 1.00 24.13 C ATOM 1123 OD1 ASP A 73 -0.083 -38.890 10.040 1.00 61.41 O ATOM 1124 OD2 ASP A 73 -1.922 -37.941 9.309 1.00 73.12 O ATOM 0 H ASP A 73 1.079 -35.419 6.896 1.00 14.31 H new ATOM 0 HA ASP A 73 1.230 -38.310 7.359 1.00 73.20 H new ATOM 0 HB2 ASP A 73 1.032 -36.710 9.244 1.00 53.23 H new ATOM 0 HB3 ASP A 73 -0.430 -36.044 8.543 1.00 53.23 H new ATOM 1129 N GLU A 74 -1.348 -36.756 6.014 1.00 53.04 N ATOM 1130 CA GLU A 74 -2.552 -36.919 5.230 1.00 13.52 C ATOM 1131 C GLU A 74 -2.633 -35.819 4.175 1.00 52.34 C ATOM 1132 O GLU A 74 -2.603 -34.633 4.507 1.00 43.45 O ATOM 1133 CB GLU A 74 -3.757 -36.831 6.161 1.00 65.33 C ATOM 1134 CG GLU A 74 -5.087 -37.108 5.486 1.00 22.12 C ATOM 1135 CD GLU A 74 -5.261 -38.571 5.115 1.00 33.50 C ATOM 1136 OE1 GLU A 74 -5.350 -39.414 6.033 1.00 51.53 O ATOM 1137 OE2 GLU A 74 -5.308 -38.889 3.908 1.00 64.11 O ATOM 0 H GLU A 74 -1.132 -35.785 6.241 1.00 53.04 H new ATOM 0 HA GLU A 74 -2.541 -37.887 4.729 1.00 13.52 H new ATOM 0 HB2 GLU A 74 -3.623 -37.540 6.978 1.00 65.33 H new ATOM 0 HB3 GLU A 74 -3.788 -35.836 6.604 1.00 65.33 H new ATOM 0 HG2 GLU A 74 -5.897 -36.807 6.150 1.00 22.12 H new ATOM 0 HG3 GLU A 74 -5.168 -36.497 4.587 1.00 22.12 H new ATOM 1144 N MET A 75 -2.723 -36.205 2.909 1.00 3.01 N ATOM 1145 CA MET A 75 -2.902 -35.242 1.831 1.00 44.15 C ATOM 1146 C MET A 75 -4.381 -34.883 1.713 1.00 2.42 C ATOM 1147 O MET A 75 -5.240 -35.762 1.805 1.00 23.31 O ATOM 1148 CB MET A 75 -2.372 -35.806 0.505 1.00 64.55 C ATOM 1149 CG MET A 75 -0.857 -35.966 0.469 1.00 34.12 C ATOM 1150 SD MET A 75 -0.263 -36.602 -1.111 1.00 53.33 S ATOM 1151 CE MET A 75 -0.930 -35.382 -2.243 1.00 73.05 C ATOM 0 H MET A 75 -2.675 -37.177 2.604 1.00 3.01 H new ATOM 0 HA MET A 75 -2.333 -34.341 2.059 1.00 44.15 H new ATOM 0 HB2 MET A 75 -2.835 -36.775 0.322 1.00 64.55 H new ATOM 0 HB3 MET A 75 -2.678 -35.148 -0.308 1.00 64.55 H new ATOM 0 HG2 MET A 75 -0.389 -35.002 0.667 1.00 34.12 H new ATOM 0 HG3 MET A 75 -0.548 -36.641 1.267 1.00 34.12 H new ATOM 0 HE1 MET A 75 -0.265 -35.279 -3.101 1.00 73.05 H new ATOM 0 HE2 MET A 75 -1.915 -35.702 -2.584 1.00 73.05 H new ATOM 0 HE3 MET A 75 -1.016 -34.422 -1.734 1.00 73.05 H new ATOM 1161 N PRO A 76 -4.695 -33.588 1.510 1.00 3.41 N ATOM 1162 CA PRO A 76 -6.083 -33.095 1.490 1.00 54.22 C ATOM 1163 C PRO A 76 -6.891 -33.690 0.328 1.00 61.51 C ATOM 1164 O PRO A 76 -7.535 -34.728 0.475 1.00 1.43 O ATOM 1165 CB PRO A 76 -5.905 -31.569 1.355 1.00 4.34 C ATOM 1166 CG PRO A 76 -4.584 -31.415 0.679 1.00 35.41 C ATOM 1167 CD PRO A 76 -3.725 -32.500 1.263 1.00 32.14 C ATOM 0 HA PRO A 76 -6.650 -33.380 2.376 1.00 54.22 H new ATOM 0 HB2 PRO A 76 -6.708 -31.125 0.767 1.00 4.34 H new ATOM 0 HB3 PRO A 76 -5.914 -31.079 2.329 1.00 4.34 H new ATOM 0 HG2 PRO A 76 -4.678 -31.523 -0.402 1.00 35.41 H new ATOM 0 HG3 PRO A 76 -4.157 -30.429 0.865 1.00 35.41 H new ATOM 0 HD2 PRO A 76 -2.938 -32.808 0.574 1.00 32.14 H new ATOM 0 HD3 PRO A 76 -3.236 -32.178 2.182 1.00 32.14 H new ATOM 1175 N ARG A 77 -6.841 -33.032 -0.828 1.00 42.15 N ATOM 1176 CA ARG A 77 -7.440 -33.535 -2.057 1.00 24.23 C ATOM 1177 C ARG A 77 -6.669 -32.975 -3.236 1.00 64.03 C ATOM 1178 O ARG A 77 -6.226 -31.829 -3.190 1.00 31.21 O ATOM 1179 CB ARG A 77 -8.900 -33.096 -2.214 1.00 34.31 C ATOM 1180 CG ARG A 77 -9.908 -33.758 -1.280 1.00 65.13 C ATOM 1181 CD ARG A 77 -11.328 -33.399 -1.705 1.00 35.21 C ATOM 1182 NE ARG A 77 -12.321 -33.635 -0.655 1.00 33.43 N ATOM 1183 CZ ARG A 77 -13.090 -32.675 -0.131 1.00 44.12 C ATOM 1184 NH1 ARG A 77 -12.876 -31.402 -0.444 1.00 60.03 N ATOM 1185 NH2 ARG A 77 -14.045 -32.986 0.734 1.00 24.22 N ATOM 0 H ARG A 77 -6.380 -32.129 -0.937 1.00 42.15 H new ATOM 0 HA ARG A 77 -7.404 -34.624 -2.017 1.00 24.23 H new ATOM 0 HB2 ARG A 77 -8.951 -32.018 -2.064 1.00 34.31 H new ATOM 0 HB3 ARG A 77 -9.207 -33.290 -3.242 1.00 34.31 H new ATOM 0 HG2 ARG A 77 -9.777 -34.840 -1.298 1.00 65.13 H new ATOM 0 HG3 ARG A 77 -9.734 -33.433 -0.254 1.00 65.13 H new ATOM 0 HD2 ARG A 77 -11.359 -32.349 -1.996 1.00 35.21 H new ATOM 0 HD3 ARG A 77 -11.595 -33.982 -2.586 1.00 35.21 H new ATOM 0 HE ARG A 77 -12.432 -34.586 -0.303 1.00 33.43 H new ATOM 0 HH11 ARG A 77 -12.123 -31.154 -1.086 1.00 60.03 H new ATOM 0 HH12 ARG A 77 -13.465 -30.672 -0.042 1.00 60.03 H new ATOM 0 HH21 ARG A 77 -14.194 -33.959 1.001 1.00 24.22 H new ATOM 0 HH22 ARG A 77 -14.631 -32.252 1.133 1.00 24.22 H new ATOM 1199 N GLU A 78 -6.521 -33.764 -4.288 1.00 43.11 N ATOM 1200 CA GLU A 78 -5.927 -33.274 -5.524 1.00 10.22 C ATOM 1201 C GLU A 78 -6.864 -32.244 -6.136 1.00 23.31 C ATOM 1202 O GLU A 78 -6.432 -31.270 -6.755 1.00 30.35 O ATOM 1203 CB GLU A 78 -5.663 -34.428 -6.496 1.00 42.54 C ATOM 1204 CG GLU A 78 -4.664 -35.448 -5.962 1.00 21.42 C ATOM 1205 CD GLU A 78 -4.418 -36.592 -6.928 1.00 43.31 C ATOM 1206 OE1 GLU A 78 -3.580 -36.438 -7.841 1.00 24.35 O ATOM 1207 OE2 GLU A 78 -5.061 -37.650 -6.782 1.00 3.12 O ATOM 0 H GLU A 78 -6.803 -34.744 -4.312 1.00 43.11 H new ATOM 0 HA GLU A 78 -4.965 -32.808 -5.311 1.00 10.22 H new ATOM 0 HB2 GLU A 78 -6.604 -34.932 -6.715 1.00 42.54 H new ATOM 0 HB3 GLU A 78 -5.291 -34.023 -7.437 1.00 42.54 H new ATOM 0 HG2 GLU A 78 -3.719 -34.948 -5.750 1.00 21.42 H new ATOM 0 HG3 GLU A 78 -5.031 -35.849 -5.017 1.00 21.42 H new ATOM 1214 N GLU A 79 -8.158 -32.473 -5.923 1.00 61.41 N ATOM 1215 CA GLU A 79 -9.206 -31.547 -6.332 1.00 62.11 C ATOM 1216 C GLU A 79 -9.032 -30.195 -5.646 1.00 42.33 C ATOM 1217 O GLU A 79 -9.121 -29.147 -6.281 1.00 30.53 O ATOM 1218 CB GLU A 79 -10.576 -32.139 -5.987 1.00 33.44 C ATOM 1219 CG GLU A 79 -11.749 -31.219 -6.293 1.00 54.04 C ATOM 1220 CD GLU A 79 -13.082 -31.887 -6.024 1.00 23.55 C ATOM 1221 OE1 GLU A 79 -13.559 -32.631 -6.907 1.00 35.41 O ATOM 1222 OE2 GLU A 79 -13.652 -31.680 -4.935 1.00 35.35 O ATOM 0 H GLU A 79 -8.508 -33.311 -5.459 1.00 61.41 H new ATOM 0 HA GLU A 79 -9.137 -31.394 -7.409 1.00 62.11 H new ATOM 0 HB2 GLU A 79 -10.706 -33.070 -6.538 1.00 33.44 H new ATOM 0 HB3 GLU A 79 -10.594 -32.391 -4.927 1.00 33.44 H new ATOM 0 HG2 GLU A 79 -11.668 -30.316 -5.688 1.00 54.04 H new ATOM 0 HG3 GLU A 79 -11.703 -30.909 -7.337 1.00 54.04 H new ATOM 1229 N ASP A 80 -8.790 -30.225 -4.342 1.00 22.20 N ATOM 1230 CA ASP A 80 -8.562 -29.001 -3.578 1.00 23.21 C ATOM 1231 C ASP A 80 -7.253 -28.343 -3.992 1.00 50.24 C ATOM 1232 O ASP A 80 -7.157 -27.117 -4.040 1.00 21.13 O ATOM 1233 CB ASP A 80 -8.568 -29.289 -2.072 1.00 4.30 C ATOM 1234 CG ASP A 80 -9.973 -29.306 -1.497 1.00 30.43 C ATOM 1235 OD1 ASP A 80 -10.513 -28.220 -1.209 1.00 34.04 O ATOM 1236 OD2 ASP A 80 -10.544 -30.402 -1.349 1.00 72.24 O ATOM 0 H ASP A 80 -8.746 -31.082 -3.790 1.00 22.20 H new ATOM 0 HA ASP A 80 -9.376 -28.310 -3.796 1.00 23.21 H new ATOM 0 HB2 ASP A 80 -8.089 -30.250 -1.886 1.00 4.30 H new ATOM 0 HB3 ASP A 80 -7.976 -28.533 -1.557 1.00 4.30 H new ATOM 1241 N ILE A 81 -6.248 -29.158 -4.296 1.00 52.33 N ATOM 1242 CA ILE A 81 -4.956 -28.644 -4.741 1.00 75.11 C ATOM 1243 C ILE A 81 -5.106 -27.886 -6.060 1.00 23.01 C ATOM 1244 O ILE A 81 -4.576 -26.784 -6.215 1.00 54.32 O ATOM 1245 CB ILE A 81 -3.905 -29.779 -4.894 1.00 63.24 C ATOM 1246 CG1 ILE A 81 -3.629 -30.438 -3.531 1.00 42.25 C ATOM 1247 CG2 ILE A 81 -2.608 -29.244 -5.504 1.00 1.12 C ATOM 1248 CD1 ILE A 81 -2.718 -31.647 -3.597 1.00 11.21 C ATOM 0 H ILE A 81 -6.302 -30.175 -4.243 1.00 52.33 H new ATOM 0 HA ILE A 81 -4.597 -27.958 -3.973 1.00 75.11 H new ATOM 0 HB ILE A 81 -4.310 -30.532 -5.570 1.00 63.24 H new ATOM 0 HG12 ILE A 81 -3.184 -29.698 -2.866 1.00 42.25 H new ATOM 0 HG13 ILE A 81 -4.578 -30.736 -3.086 1.00 42.25 H new ATOM 0 HG21 ILE A 81 -1.889 -30.057 -5.601 1.00 1.12 H new ATOM 0 HG22 ILE A 81 -2.815 -28.824 -6.488 1.00 1.12 H new ATOM 0 HG23 ILE A 81 -2.195 -28.469 -4.858 1.00 1.12 H new ATOM 0 HD11 ILE A 81 -2.576 -32.050 -2.594 1.00 11.21 H new ATOM 0 HD12 ILE A 81 -3.169 -32.408 -4.234 1.00 11.21 H new ATOM 0 HD13 ILE A 81 -1.753 -31.353 -4.010 1.00 11.21 H new ATOM 1260 N GLU A 82 -5.850 -28.460 -7.004 1.00 20.30 N ATOM 1261 CA GLU A 82 -6.092 -27.783 -8.272 1.00 13.24 C ATOM 1262 C GLU A 82 -7.066 -26.623 -8.066 1.00 5.44 C ATOM 1263 O GLU A 82 -6.950 -25.582 -8.715 1.00 1.51 O ATOM 1264 CB GLU A 82 -6.606 -28.757 -9.345 1.00 73.20 C ATOM 1265 CG GLU A 82 -7.986 -29.336 -9.069 1.00 75.31 C ATOM 1266 CD GLU A 82 -8.442 -30.297 -10.154 1.00 75.42 C ATOM 1267 OE1 GLU A 82 -8.736 -29.835 -11.276 1.00 14.40 O ATOM 1268 OE2 GLU A 82 -8.509 -31.518 -9.892 1.00 2.33 O ATOM 0 H GLU A 82 -6.288 -29.377 -6.916 1.00 20.30 H new ATOM 0 HA GLU A 82 -5.144 -27.384 -8.633 1.00 13.24 H new ATOM 0 HB2 GLU A 82 -6.629 -28.240 -10.304 1.00 73.20 H new ATOM 0 HB3 GLU A 82 -5.895 -29.578 -9.442 1.00 73.20 H new ATOM 0 HG2 GLU A 82 -7.974 -29.855 -8.110 1.00 75.31 H new ATOM 0 HG3 GLU A 82 -8.707 -28.523 -8.982 1.00 75.31 H new ATOM 1275 N ARG A 83 -8.002 -26.799 -7.128 1.00 62.13 N ATOM 1276 CA ARG A 83 -8.965 -25.755 -6.779 1.00 64.02 C ATOM 1277 C ARG A 83 -8.239 -24.498 -6.316 1.00 23.45 C ATOM 1278 O ARG A 83 -8.523 -23.392 -6.784 1.00 51.11 O ATOM 1279 CB ARG A 83 -9.922 -26.235 -5.670 1.00 1.04 C ATOM 1280 CG ARG A 83 -10.909 -25.164 -5.209 1.00 32.11 C ATOM 1281 CD ARG A 83 -11.876 -25.670 -4.138 1.00 70.23 C ATOM 1282 NE ARG A 83 -11.209 -26.011 -2.874 1.00 52.13 N ATOM 1283 CZ ARG A 83 -10.888 -25.127 -1.921 1.00 13.14 C ATOM 1284 NH1 ARG A 83 -11.075 -23.825 -2.111 1.00 14.02 N ATOM 1285 NH2 ARG A 83 -10.374 -25.551 -0.776 1.00 32.14 N ATOM 0 H ARG A 83 -8.112 -27.662 -6.595 1.00 62.13 H new ATOM 0 HA ARG A 83 -9.549 -25.527 -7.671 1.00 64.02 H new ATOM 0 HB2 ARG A 83 -10.479 -27.099 -6.031 1.00 1.04 H new ATOM 0 HB3 ARG A 83 -9.335 -26.569 -4.814 1.00 1.04 H new ATOM 0 HG2 ARG A 83 -10.355 -24.311 -4.818 1.00 32.11 H new ATOM 0 HG3 ARG A 83 -11.479 -24.808 -6.067 1.00 32.11 H new ATOM 0 HD2 ARG A 83 -12.631 -24.907 -3.949 1.00 70.23 H new ATOM 0 HD3 ARG A 83 -12.399 -26.549 -4.515 1.00 70.23 H new ATOM 0 HE ARG A 83 -10.974 -26.990 -2.711 1.00 52.13 H new ATOM 0 HH11 ARG A 83 -11.467 -23.489 -2.991 1.00 14.02 H new ATOM 0 HH12 ARG A 83 -10.826 -23.162 -1.377 1.00 14.02 H new ATOM 0 HH21 ARG A 83 -10.224 -26.548 -0.623 1.00 32.14 H new ATOM 0 HH22 ARG A 83 -10.128 -24.880 -0.048 1.00 32.14 H new ATOM 1299 N VAL A 84 -7.295 -24.674 -5.402 1.00 60.34 N ATOM 1300 CA VAL A 84 -6.558 -23.551 -4.854 1.00 41.51 C ATOM 1301 C VAL A 84 -5.587 -22.986 -5.897 1.00 42.42 C ATOM 1302 O VAL A 84 -5.567 -21.783 -6.141 1.00 71.31 O ATOM 1303 CB VAL A 84 -5.805 -23.937 -3.547 1.00 4.13 C ATOM 1304 CG1 VAL A 84 -4.679 -24.931 -3.813 1.00 3.32 C ATOM 1305 CG2 VAL A 84 -5.279 -22.692 -2.837 1.00 65.02 C ATOM 0 H VAL A 84 -7.024 -25.583 -5.027 1.00 60.34 H new ATOM 0 HA VAL A 84 -7.280 -22.777 -4.595 1.00 41.51 H new ATOM 0 HB VAL A 84 -6.522 -24.430 -2.890 1.00 4.13 H new ATOM 0 HG11 VAL A 84 -4.179 -25.174 -2.875 1.00 3.32 H new ATOM 0 HG12 VAL A 84 -5.092 -25.840 -4.250 1.00 3.32 H new ATOM 0 HG13 VAL A 84 -3.960 -24.490 -4.504 1.00 3.32 H new ATOM 0 HG21 VAL A 84 -4.757 -22.986 -1.927 1.00 65.02 H new ATOM 0 HG22 VAL A 84 -4.591 -22.161 -3.495 1.00 65.02 H new ATOM 0 HG23 VAL A 84 -6.113 -22.039 -2.582 1.00 65.02 H new ATOM 1315 N ARG A 85 -4.820 -23.864 -6.543 1.00 32.12 N ATOM 1316 CA ARG A 85 -3.816 -23.443 -7.522 1.00 63.21 C ATOM 1317 C ARG A 85 -4.447 -22.589 -8.631 1.00 31.04 C ATOM 1318 O ARG A 85 -3.887 -21.564 -9.021 1.00 74.34 O ATOM 1319 CB ARG A 85 -3.079 -24.661 -8.122 1.00 13.42 C ATOM 1320 CG ARG A 85 -3.701 -25.226 -9.400 1.00 50.13 C ATOM 1321 CD ARG A 85 -2.910 -26.412 -9.948 1.00 12.03 C ATOM 1322 NE ARG A 85 -3.187 -26.644 -11.369 1.00 64.53 N ATOM 1323 CZ ARG A 85 -3.131 -27.838 -11.970 1.00 65.33 C ATOM 1324 NH1 ARG A 85 -2.917 -28.940 -11.263 1.00 14.52 N ATOM 1325 NH2 ARG A 85 -3.311 -27.931 -13.282 1.00 44.23 N ATOM 0 H ARG A 85 -4.874 -24.873 -6.406 1.00 32.12 H new ATOM 0 HA ARG A 85 -3.083 -22.828 -6.999 1.00 63.21 H new ATOM 0 HB2 ARG A 85 -2.048 -24.376 -8.333 1.00 13.42 H new ATOM 0 HB3 ARG A 85 -3.044 -25.451 -7.372 1.00 13.42 H new ATOM 0 HG2 ARG A 85 -4.726 -25.537 -9.197 1.00 50.13 H new ATOM 0 HG3 ARG A 85 -3.749 -24.443 -10.156 1.00 50.13 H new ATOM 0 HD2 ARG A 85 -1.844 -26.232 -9.811 1.00 12.03 H new ATOM 0 HD3 ARG A 85 -3.158 -27.308 -9.379 1.00 12.03 H new ATOM 0 HE ARG A 85 -3.440 -25.838 -11.940 1.00 64.53 H new ATOM 0 HH11 ARG A 85 -2.794 -28.881 -10.252 1.00 14.52 H new ATOM 0 HH12 ARG A 85 -2.876 -29.846 -11.730 1.00 14.52 H new ATOM 0 HH21 ARG A 85 -3.492 -27.092 -13.833 1.00 44.23 H new ATOM 0 HH22 ARG A 85 -3.268 -28.842 -13.739 1.00 44.23 H new ATOM 1339 N ARG A 86 -5.620 -22.998 -9.122 1.00 54.02 N ATOM 1340 CA ARG A 86 -6.308 -22.247 -10.182 1.00 61.13 C ATOM 1341 C ARG A 86 -6.833 -20.923 -9.636 1.00 43.24 C ATOM 1342 O ARG A 86 -6.819 -19.903 -10.326 1.00 52.32 O ATOM 1343 CB ARG A 86 -7.454 -23.061 -10.810 1.00 71.32 C ATOM 1344 CG ARG A 86 -8.619 -23.369 -9.869 1.00 70.13 C ATOM 1345 CD ARG A 86 -9.705 -24.183 -10.577 1.00 34.11 C ATOM 1346 NE ARG A 86 -10.812 -24.544 -9.684 1.00 1.42 N ATOM 1347 CZ ARG A 86 -11.540 -25.662 -9.799 1.00 31.40 C ATOM 1348 NH1 ARG A 86 -11.297 -26.525 -10.783 1.00 20.14 N ATOM 1349 NH2 ARG A 86 -12.523 -25.905 -8.940 1.00 54.51 N ATOM 0 H ARG A 86 -6.111 -23.835 -8.808 1.00 54.02 H new ATOM 0 HA ARG A 86 -5.581 -22.046 -10.969 1.00 61.13 H new ATOM 0 HB2 ARG A 86 -7.837 -22.515 -11.672 1.00 71.32 H new ATOM 0 HB3 ARG A 86 -7.049 -24.002 -11.183 1.00 71.32 H new ATOM 0 HG2 ARG A 86 -8.254 -23.921 -9.003 1.00 70.13 H new ATOM 0 HG3 ARG A 86 -9.045 -22.437 -9.496 1.00 70.13 H new ATOM 0 HD2 ARG A 86 -10.094 -23.609 -11.418 1.00 34.11 H new ATOM 0 HD3 ARG A 86 -9.264 -25.091 -10.988 1.00 34.11 H new ATOM 0 HE ARG A 86 -11.042 -23.901 -8.926 1.00 1.42 H new ATOM 0 HH11 ARG A 86 -10.553 -26.336 -11.455 1.00 20.14 H new ATOM 0 HH12 ARG A 86 -11.855 -27.375 -10.865 1.00 20.14 H new ATOM 0 HH21 ARG A 86 -12.723 -25.240 -8.193 1.00 54.51 H new ATOM 0 HH22 ARG A 86 -13.078 -26.756 -9.027 1.00 54.51 H new ATOM 1363 N HIS A 87 -7.273 -20.945 -8.382 1.00 53.04 N ATOM 1364 CA HIS A 87 -7.739 -19.737 -7.704 1.00 5.31 C ATOM 1365 C HIS A 87 -6.594 -18.737 -7.608 1.00 35.45 C ATOM 1366 O HIS A 87 -6.774 -17.543 -7.815 1.00 13.34 O ATOM 1367 CB HIS A 87 -8.268 -20.096 -6.304 1.00 31.33 C ATOM 1368 CG HIS A 87 -8.730 -18.920 -5.477 1.00 1.11 C ATOM 1369 ND1 HIS A 87 -10.056 -18.645 -5.230 1.00 60.25 N ATOM 1370 CD2 HIS A 87 -8.025 -17.967 -4.813 1.00 1.45 C ATOM 1371 CE1 HIS A 87 -10.149 -17.577 -4.456 1.00 50.53 C ATOM 1372 NE2 HIS A 87 -8.931 -17.149 -4.187 1.00 10.01 N ATOM 0 H HIS A 87 -7.317 -21.789 -7.811 1.00 53.04 H new ATOM 0 HA HIS A 87 -8.552 -19.286 -8.273 1.00 5.31 H new ATOM 0 HB2 HIS A 87 -9.099 -20.793 -6.413 1.00 31.33 H new ATOM 0 HB3 HIS A 87 -7.483 -20.619 -5.758 1.00 31.33 H new ATOM 0 HD2 HIS A 87 -6.950 -17.871 -4.783 1.00 1.45 H new ATOM 0 HE1 HIS A 87 -11.067 -17.131 -4.104 1.00 50.53 H new ATOM 0 HE2 HIS A 87 -8.700 -16.342 -3.608 1.00 10.01 H new ATOM 1381 N LEU A 88 -5.414 -19.260 -7.300 1.00 42.33 N ATOM 1382 CA LEU A 88 -4.199 -18.462 -7.145 1.00 61.31 C ATOM 1383 C LEU A 88 -3.655 -18.010 -8.506 1.00 10.22 C ATOM 1384 O LEU A 88 -3.125 -16.901 -8.640 1.00 2.44 O ATOM 1385 CB LEU A 88 -3.148 -19.287 -6.386 1.00 25.40 C ATOM 1386 CG LEU A 88 -3.267 -19.280 -4.843 1.00 72.03 C ATOM 1387 CD1 LEU A 88 -2.753 -17.963 -4.266 1.00 20.14 C ATOM 1388 CD2 LEU A 88 -4.706 -19.514 -4.393 1.00 1.22 C ATOM 0 H LEU A 88 -5.269 -20.258 -7.149 1.00 42.33 H new ATOM 0 HA LEU A 88 -4.436 -17.563 -6.575 1.00 61.31 H new ATOM 0 HB2 LEU A 88 -3.207 -20.319 -6.731 1.00 25.40 H new ATOM 0 HB3 LEU A 88 -2.159 -18.916 -6.656 1.00 25.40 H new ATOM 0 HG LEU A 88 -2.652 -20.098 -4.467 1.00 72.03 H new ATOM 0 HD11 LEU A 88 -2.846 -17.980 -3.180 1.00 20.14 H new ATOM 0 HD12 LEU A 88 -1.706 -17.831 -4.538 1.00 20.14 H new ATOM 0 HD13 LEU A 88 -3.339 -17.136 -4.667 1.00 20.14 H new ATOM 0 HD21 LEU A 88 -4.753 -19.503 -3.304 1.00 1.22 H new ATOM 0 HD22 LEU A 88 -5.345 -18.726 -4.792 1.00 1.22 H new ATOM 0 HD23 LEU A 88 -5.050 -20.481 -4.761 1.00 1.22 H new ATOM 1400 N ALA A 89 -3.808 -18.874 -9.508 1.00 50.41 N ATOM 1401 CA ALA A 89 -3.333 -18.597 -10.865 1.00 61.34 C ATOM 1402 C ALA A 89 -3.990 -17.337 -11.429 1.00 73.12 C ATOM 1403 O ALA A 89 -3.457 -16.694 -12.337 1.00 14.30 O ATOM 1404 CB ALA A 89 -3.607 -19.793 -11.771 1.00 24.15 C ATOM 0 H ALA A 89 -4.262 -19.781 -9.405 1.00 50.41 H new ATOM 0 HA ALA A 89 -2.257 -18.425 -10.823 1.00 61.34 H new ATOM 0 HB1 ALA A 89 -3.250 -19.576 -12.778 1.00 24.15 H new ATOM 0 HB2 ALA A 89 -3.089 -20.670 -11.383 1.00 24.15 H new ATOM 0 HB3 ALA A 89 -4.679 -19.989 -11.801 1.00 24.15 H new ATOM 1410 N LEU A 90 -5.153 -17.001 -10.882 1.00 4.52 N ATOM 1411 CA LEU A 90 -5.879 -15.796 -11.270 1.00 63.34 C ATOM 1412 C LEU A 90 -5.091 -14.542 -10.889 1.00 72.14 C ATOM 1413 O LEU A 90 -5.103 -13.545 -11.616 1.00 72.44 O ATOM 1414 CB LEU A 90 -7.261 -15.782 -10.611 1.00 43.21 C ATOM 1415 CG LEU A 90 -8.180 -16.954 -10.999 1.00 31.03 C ATOM 1416 CD1 LEU A 90 -9.507 -16.873 -10.249 1.00 12.54 C ATOM 1417 CD2 LEU A 90 -8.417 -16.985 -12.509 1.00 12.44 C ATOM 0 H LEU A 90 -5.618 -17.553 -10.161 1.00 4.52 H new ATOM 0 HA LEU A 90 -6.005 -15.800 -12.353 1.00 63.34 H new ATOM 0 HB2 LEU A 90 -7.131 -15.785 -9.529 1.00 43.21 H new ATOM 0 HB3 LEU A 90 -7.760 -14.848 -10.869 1.00 43.21 H new ATOM 0 HG LEU A 90 -7.682 -17.881 -10.714 1.00 31.03 H new ATOM 0 HD11 LEU A 90 -10.141 -17.711 -10.539 1.00 12.54 H new ATOM 0 HD12 LEU A 90 -9.321 -16.913 -9.176 1.00 12.54 H new ATOM 0 HD13 LEU A 90 -10.008 -15.937 -10.496 1.00 12.54 H new ATOM 0 HD21 LEU A 90 -9.069 -17.822 -12.758 1.00 12.44 H new ATOM 0 HD22 LEU A 90 -8.887 -16.053 -12.823 1.00 12.44 H new ATOM 0 HD23 LEU A 90 -7.464 -17.102 -13.025 1.00 12.44 H new ATOM 1429 N GLN A 91 -4.411 -14.595 -9.746 1.00 52.33 N ATOM 1430 CA GLN A 91 -3.553 -13.495 -9.316 1.00 44.25 C ATOM 1431 C GLN A 91 -2.191 -13.608 -9.991 1.00 0.14 C ATOM 1432 O GLN A 91 -1.540 -12.600 -10.275 1.00 24.43 O ATOM 1433 CB GLN A 91 -3.380 -13.472 -7.785 1.00 40.32 C ATOM 1434 CG GLN A 91 -4.649 -13.096 -7.013 1.00 12.45 C ATOM 1435 CD GLN A 91 -5.732 -14.157 -7.060 1.00 74.20 C ATOM 1436 OE1 GLN A 91 -6.925 -13.849 -7.054 1.00 23.24 O ATOM 1437 NE2 GLN A 91 -5.332 -15.417 -7.068 1.00 3.21 N ATOM 0 H GLN A 91 -4.438 -15.386 -9.103 1.00 52.33 H new ATOM 0 HA GLN A 91 -4.033 -12.562 -9.610 1.00 44.25 H new ATOM 0 HB2 GLN A 91 -3.045 -14.455 -7.454 1.00 40.32 H new ATOM 0 HB3 GLN A 91 -2.591 -12.764 -7.531 1.00 40.32 H new ATOM 0 HG2 GLN A 91 -4.387 -12.904 -5.973 1.00 12.45 H new ATOM 0 HG3 GLN A 91 -5.047 -12.166 -7.418 1.00 12.45 H new ATOM 0 HE21 GLN A 91 -4.336 -15.636 -7.073 1.00 3.21 H new ATOM 0 HE22 GLN A 91 -6.020 -16.170 -7.069 1.00 3.21 H new ATOM 1446 N GLY A 92 -1.769 -14.844 -10.247 1.00 11.13 N ATOM 1447 CA GLY A 92 -0.508 -15.080 -10.930 1.00 34.23 C ATOM 1448 C GLY A 92 0.064 -16.451 -10.628 1.00 75.14 C ATOM 1449 O GLY A 92 -0.583 -17.260 -9.960 1.00 41.34 O ATOM 0 H GLY A 92 -2.280 -15.689 -9.992 1.00 11.13 H new ATOM 0 HA2 GLY A 92 -0.656 -14.980 -12.005 1.00 34.23 H new ATOM 0 HA3 GLY A 92 0.211 -14.316 -10.634 1.00 34.23 H new ATOM 1453 N TRP A 93 1.277 -16.714 -11.111 1.00 61.24 N ATOM 1454 CA TRP A 93 1.922 -18.007 -10.906 1.00 33.44 C ATOM 1455 C TRP A 93 3.447 -17.844 -10.884 1.00 44.25 C ATOM 1456 O TRP A 93 4.130 -18.112 -11.877 1.00 71.23 O ATOM 1457 CB TRP A 93 1.496 -18.994 -12.005 1.00 43.23 C ATOM 1458 CG TRP A 93 1.833 -20.419 -11.691 1.00 30.43 C ATOM 1459 CD1 TRP A 93 2.965 -21.095 -12.040 1.00 31.35 C ATOM 1460 CD2 TRP A 93 1.022 -21.343 -10.958 1.00 22.14 C ATOM 1461 NE1 TRP A 93 2.907 -22.382 -11.572 1.00 14.44 N ATOM 1462 CE2 TRP A 93 1.724 -22.560 -10.905 1.00 25.43 C ATOM 1463 CE3 TRP A 93 -0.230 -21.257 -10.343 1.00 50.15 C ATOM 1464 CZ2 TRP A 93 1.217 -23.683 -10.262 1.00 43.01 C ATOM 1465 CZ3 TRP A 93 -0.732 -22.369 -9.703 1.00 15.35 C ATOM 1466 CH2 TRP A 93 -0.011 -23.570 -9.667 1.00 55.20 C ATOM 0 H TRP A 93 1.832 -16.047 -11.647 1.00 61.24 H new ATOM 0 HA TRP A 93 1.607 -18.408 -9.943 1.00 33.44 H new ATOM 0 HB2 TRP A 93 0.421 -18.909 -12.162 1.00 43.23 H new ATOM 0 HB3 TRP A 93 1.978 -18.713 -12.942 1.00 43.23 H new ATOM 0 HD1 TRP A 93 3.787 -20.677 -12.603 1.00 31.35 H new ATOM 0 HE1 TRP A 93 3.628 -23.092 -11.700 1.00 14.44 H new ATOM 0 HE3 TRP A 93 -0.794 -20.336 -10.369 1.00 50.15 H new ATOM 0 HZ2 TRP A 93 1.771 -24.610 -10.233 1.00 43.01 H new ATOM 0 HZ3 TRP A 93 -1.697 -22.314 -9.221 1.00 15.35 H new ATOM 0 HH2 TRP A 93 -0.433 -24.425 -9.159 1.00 55.20 H new ATOM 1477 N PRO A 94 3.998 -17.368 -9.750 1.00 44.24 N ATOM 1478 CA PRO A 94 5.444 -17.130 -9.602 1.00 44.31 C ATOM 1479 C PRO A 94 6.264 -18.425 -9.598 1.00 13.14 C ATOM 1480 O PRO A 94 7.460 -18.406 -9.888 1.00 65.31 O ATOM 1481 CB PRO A 94 5.561 -16.410 -8.244 1.00 70.01 C ATOM 1482 CG PRO A 94 4.171 -15.973 -7.906 1.00 24.04 C ATOM 1483 CD PRO A 94 3.259 -16.988 -8.536 1.00 52.13 C ATOM 0 HA PRO A 94 5.840 -16.554 -10.438 1.00 44.31 H new ATOM 0 HB2 PRO A 94 5.961 -17.076 -7.479 1.00 70.01 H new ATOM 0 HB3 PRO A 94 6.236 -15.557 -8.308 1.00 70.01 H new ATOM 0 HG2 PRO A 94 4.025 -15.933 -6.827 1.00 24.04 H new ATOM 0 HG3 PRO A 94 3.970 -14.974 -8.292 1.00 24.04 H new ATOM 0 HD2 PRO A 94 3.088 -17.842 -7.881 1.00 52.13 H new ATOM 0 HD3 PRO A 94 2.282 -16.566 -8.771 1.00 52.13 H new ATOM 1491 N LEU A 95 5.610 -19.546 -9.290 1.00 20.13 N ATOM 1492 CA LEU A 95 6.286 -20.846 -9.191 1.00 2.45 C ATOM 1493 C LEU A 95 6.885 -21.278 -10.530 1.00 23.05 C ATOM 1494 O LEU A 95 7.680 -22.220 -10.585 1.00 42.11 O ATOM 1495 CB LEU A 95 5.315 -21.927 -8.677 1.00 12.24 C ATOM 1496 CG LEU A 95 5.176 -22.027 -7.146 1.00 45.14 C ATOM 1497 CD1 LEU A 95 4.814 -20.682 -6.529 1.00 71.12 C ATOM 1498 CD2 LEU A 95 4.143 -23.088 -6.769 1.00 44.11 C ATOM 0 H LEU A 95 4.608 -19.582 -9.103 1.00 20.13 H new ATOM 0 HA LEU A 95 7.103 -20.731 -8.478 1.00 2.45 H new ATOM 0 HB2 LEU A 95 4.329 -21.735 -9.101 1.00 12.24 H new ATOM 0 HB3 LEU A 95 5.643 -22.894 -9.058 1.00 12.24 H new ATOM 0 HG LEU A 95 6.144 -22.325 -6.744 1.00 45.14 H new ATOM 0 HD11 LEU A 95 4.724 -20.790 -5.448 1.00 71.12 H new ATOM 0 HD12 LEU A 95 5.594 -19.955 -6.758 1.00 71.12 H new ATOM 0 HD13 LEU A 95 3.865 -20.337 -6.939 1.00 71.12 H new ATOM 0 HD21 LEU A 95 4.059 -23.144 -5.684 1.00 44.11 H new ATOM 0 HD22 LEU A 95 3.176 -22.822 -7.195 1.00 44.11 H new ATOM 0 HD23 LEU A 95 4.457 -24.056 -7.159 1.00 44.11 H new ATOM 1510 N ASP A 96 6.501 -20.598 -11.605 1.00 4.21 N ATOM 1511 CA ASP A 96 7.010 -20.926 -12.936 1.00 41.33 C ATOM 1512 C ASP A 96 8.455 -20.453 -13.096 1.00 64.42 C ATOM 1513 O ASP A 96 9.217 -21.010 -13.886 1.00 63.40 O ATOM 1514 CB ASP A 96 6.122 -20.299 -14.016 1.00 13.44 C ATOM 1515 CG ASP A 96 6.498 -20.754 -15.418 1.00 10.32 C ATOM 1516 OD1 ASP A 96 6.256 -21.936 -15.745 1.00 32.34 O ATOM 1517 OD2 ASP A 96 7.016 -19.931 -16.201 1.00 52.41 O ATOM 0 H ASP A 96 5.842 -19.820 -11.584 1.00 4.21 H new ATOM 0 HA ASP A 96 6.990 -22.010 -13.052 1.00 41.33 H new ATOM 0 HB2 ASP A 96 5.081 -20.557 -13.821 1.00 13.44 H new ATOM 0 HB3 ASP A 96 6.197 -19.213 -13.958 1.00 13.44 H new ATOM 1522 N ASP A 97 8.831 -19.431 -12.329 1.00 25.14 N ATOM 1523 CA ASP A 97 10.194 -18.894 -12.359 1.00 42.42 C ATOM 1524 C ASP A 97 10.731 -18.725 -10.937 1.00 63.11 C ATOM 1525 O ASP A 97 10.311 -17.824 -10.205 1.00 10.23 O ATOM 1526 CB ASP A 97 10.236 -17.558 -13.110 1.00 35.12 C ATOM 1527 CG ASP A 97 11.628 -16.940 -13.147 1.00 13.01 C ATOM 1528 OD1 ASP A 97 11.980 -16.185 -12.217 1.00 25.30 O ATOM 1529 OD2 ASP A 97 12.378 -17.200 -14.113 1.00 24.13 O ATOM 0 H ASP A 97 8.209 -18.955 -11.676 1.00 25.14 H new ATOM 0 HA ASP A 97 10.830 -19.603 -12.889 1.00 42.42 H new ATOM 0 HB2 ASP A 97 9.885 -17.710 -14.131 1.00 35.12 H new ATOM 0 HB3 ASP A 97 9.547 -16.859 -12.636 1.00 35.12 H new ATOM 1534 N PRO A 98 11.659 -19.605 -10.532 1.00 61.44 N ATOM 1535 CA PRO A 98 12.209 -19.626 -9.175 1.00 22.22 C ATOM 1536 C PRO A 98 13.399 -18.677 -8.987 1.00 64.45 C ATOM 1537 O PRO A 98 14.140 -18.398 -9.934 1.00 40.33 O ATOM 1538 CB PRO A 98 12.649 -21.086 -9.029 1.00 75.31 C ATOM 1539 CG PRO A 98 13.069 -21.490 -10.409 1.00 75.22 C ATOM 1540 CD PRO A 98 12.251 -20.659 -11.376 1.00 2.44 C ATOM 0 HA PRO A 98 11.487 -19.290 -8.431 1.00 22.22 H new ATOM 0 HB2 PRO A 98 13.470 -21.184 -8.319 1.00 75.31 H new ATOM 0 HB3 PRO A 98 11.835 -21.711 -8.663 1.00 75.31 H new ATOM 0 HG2 PRO A 98 14.135 -21.316 -10.555 1.00 75.22 H new ATOM 0 HG3 PRO A 98 12.895 -22.554 -10.570 1.00 75.22 H new ATOM 0 HD2 PRO A 98 12.874 -20.236 -12.164 1.00 2.44 H new ATOM 0 HD3 PRO A 98 11.482 -21.257 -11.864 1.00 2.44 H new ATOM 1548 N ARG A 99 13.557 -18.172 -7.761 1.00 2.21 N ATOM 1549 CA ARG A 99 14.716 -17.350 -7.393 1.00 74.20 C ATOM 1550 C ARG A 99 15.985 -18.164 -7.522 1.00 12.43 C ATOM 1551 O ARG A 99 16.989 -17.721 -8.081 1.00 11.52 O ATOM 1552 CB ARG A 99 14.584 -16.846 -5.947 1.00 55.11 C ATOM 1553 CG ARG A 99 14.225 -17.936 -4.937 1.00 55.34 C ATOM 1554 CD ARG A 99 14.239 -17.436 -3.498 1.00 0.14 C ATOM 1555 NE ARG A 99 15.595 -17.223 -2.977 1.00 74.25 N ATOM 1556 CZ ARG A 99 16.013 -17.638 -1.772 1.00 14.31 C ATOM 1557 NH1 ARG A 99 15.191 -18.325 -0.979 1.00 71.15 N ATOM 1558 NH2 ARG A 99 17.248 -17.367 -1.367 1.00 34.22 N ATOM 0 H ARG A 99 12.893 -18.318 -7.001 1.00 2.21 H new ATOM 0 HA ARG A 99 14.757 -16.493 -8.066 1.00 74.20 H new ATOM 0 HB2 ARG A 99 15.524 -16.383 -5.647 1.00 55.11 H new ATOM 0 HB3 ARG A 99 13.821 -16.068 -5.913 1.00 55.11 H new ATOM 0 HG2 ARG A 99 13.236 -18.329 -5.170 1.00 55.34 H new ATOM 0 HG3 ARG A 99 14.928 -18.763 -5.036 1.00 55.34 H new ATOM 0 HD2 ARG A 99 13.682 -16.501 -3.439 1.00 0.14 H new ATOM 0 HD3 ARG A 99 13.721 -18.156 -2.864 1.00 0.14 H new ATOM 0 HE ARG A 99 16.262 -16.728 -3.569 1.00 74.25 H new ATOM 0 HH11 ARG A 99 14.242 -18.536 -1.288 1.00 71.15 H new ATOM 0 HH12 ARG A 99 15.511 -18.640 -0.063 1.00 71.15 H new ATOM 0 HH21 ARG A 99 17.880 -16.843 -1.972 1.00 34.22 H new ATOM 0 HH22 ARG A 99 17.565 -17.683 -0.450 1.00 34.22 H new ATOM 1572 N ASP A 100 15.907 -19.366 -6.994 1.00 34.03 N ATOM 1573 CA ASP A 100 17.031 -20.294 -6.998 1.00 4.54 C ATOM 1574 C ASP A 100 16.909 -21.234 -8.189 1.00 5.05 C ATOM 1575 O ASP A 100 15.805 -21.630 -8.558 1.00 4.23 O ATOM 1576 CB ASP A 100 17.086 -21.089 -5.687 1.00 74.24 C ATOM 1577 CG ASP A 100 18.394 -21.849 -5.527 1.00 41.42 C ATOM 1578 OD1 ASP A 100 19.371 -21.251 -5.020 1.00 53.41 O ATOM 1579 OD2 ASP A 100 18.451 -23.039 -5.896 1.00 64.40 O ATOM 0 H ASP A 100 15.066 -19.733 -6.549 1.00 34.03 H new ATOM 0 HA ASP A 100 17.958 -19.727 -7.083 1.00 4.54 H new ATOM 0 HB2 ASP A 100 16.959 -20.407 -4.846 1.00 74.24 H new ATOM 0 HB3 ASP A 100 16.254 -21.792 -5.656 1.00 74.24 H new ATOM 1584 N GLY A 101 18.038 -21.584 -8.795 1.00 74.34 N ATOM 1585 CA GLY A 101 18.010 -22.364 -10.017 1.00 25.12 C ATOM 1586 C GLY A 101 18.864 -23.613 -9.949 1.00 52.40 C ATOM 1587 O GLY A 101 19.330 -24.103 -10.983 1.00 71.02 O ATOM 0 H GLY A 101 18.971 -21.342 -8.462 1.00 74.34 H new ATOM 0 HA2 GLY A 101 16.980 -22.647 -10.236 1.00 25.12 H new ATOM 0 HA3 GLY A 101 18.352 -21.743 -10.845 1.00 25.12 H new ATOM 1591 N GLU A 102 19.083 -24.133 -8.747 1.00 61.22 N ATOM 1592 CA GLU A 102 19.853 -25.360 -8.595 1.00 32.33 C ATOM 1593 C GLU A 102 18.965 -26.568 -8.890 1.00 51.53 C ATOM 1594 O GLU A 102 17.808 -26.618 -8.467 1.00 60.02 O ATOM 1595 CB GLU A 102 20.465 -25.461 -7.190 1.00 34.42 C ATOM 1596 CG GLU A 102 21.398 -26.659 -7.015 1.00 13.32 C ATOM 1597 CD GLU A 102 22.502 -26.703 -8.067 1.00 54.40 C ATOM 1598 OE1 GLU A 102 23.570 -26.095 -7.850 1.00 20.04 O ATOM 1599 OE2 GLU A 102 22.307 -27.348 -9.121 1.00 2.40 O ATOM 0 H GLU A 102 18.743 -23.730 -7.874 1.00 61.22 H new ATOM 0 HA GLU A 102 20.676 -25.344 -9.309 1.00 32.33 H new ATOM 0 HB2 GLU A 102 21.018 -24.546 -6.977 1.00 34.42 H new ATOM 0 HB3 GLU A 102 19.662 -25.526 -6.456 1.00 34.42 H new ATOM 0 HG2 GLU A 102 21.848 -26.622 -6.023 1.00 13.32 H new ATOM 0 HG3 GLU A 102 20.815 -27.579 -7.067 1.00 13.32 H new ATOM 1606 N GLU A 103 19.511 -27.527 -9.625 1.00 70.30 N ATOM 1607 CA GLU A 103 18.752 -28.686 -10.074 1.00 12.44 C ATOM 1608 C GLU A 103 18.563 -29.686 -8.928 1.00 42.42 C ATOM 1609 O GLU A 103 19.504 -29.955 -8.174 1.00 71.41 O ATOM 1610 CB GLU A 103 19.460 -29.332 -11.272 1.00 24.55 C ATOM 1611 CG GLU A 103 19.755 -28.334 -12.391 1.00 24.21 C ATOM 1612 CD GLU A 103 20.255 -28.990 -13.666 1.00 42.24 C ATOM 1613 OE1 GLU A 103 21.471 -29.251 -13.780 1.00 42.02 O ATOM 1614 OE2 GLU A 103 19.426 -29.251 -14.563 1.00 25.23 O ATOM 0 H GLU A 103 20.486 -27.524 -9.925 1.00 70.30 H new ATOM 0 HA GLU A 103 17.760 -28.365 -10.392 1.00 12.44 H new ATOM 0 HB2 GLU A 103 20.394 -29.783 -10.937 1.00 24.55 H new ATOM 0 HB3 GLU A 103 18.840 -30.138 -11.664 1.00 24.55 H new ATOM 0 HG2 GLU A 103 18.849 -27.769 -12.612 1.00 24.21 H new ATOM 0 HG3 GLU A 103 20.500 -27.618 -12.043 1.00 24.21 H new ATOM 1621 N PRO A 104 17.342 -30.251 -8.787 1.00 15.24 N ATOM 1622 CA PRO A 104 16.967 -31.097 -7.637 1.00 63.11 C ATOM 1623 C PRO A 104 17.857 -32.328 -7.462 1.00 31.14 C ATOM 1624 O PRO A 104 17.982 -32.855 -6.352 1.00 73.41 O ATOM 1625 CB PRO A 104 15.523 -31.524 -7.956 1.00 43.14 C ATOM 1626 CG PRO A 104 15.027 -30.504 -8.924 1.00 23.44 C ATOM 1627 CD PRO A 104 16.223 -30.105 -9.741 1.00 13.25 C ATOM 0 HA PRO A 104 17.077 -30.550 -6.701 1.00 63.11 H new ATOM 0 HB2 PRO A 104 15.493 -32.525 -8.386 1.00 43.14 H new ATOM 0 HB3 PRO A 104 14.909 -31.546 -7.056 1.00 43.14 H new ATOM 0 HG2 PRO A 104 14.240 -30.914 -9.556 1.00 23.44 H new ATOM 0 HG3 PRO A 104 14.603 -29.645 -8.405 1.00 23.44 H new ATOM 0 HD2 PRO A 104 16.349 -30.748 -10.612 1.00 13.25 H new ATOM 0 HD3 PRO A 104 16.137 -29.083 -10.109 1.00 13.25 H new ATOM 1635 N ASP A 105 18.465 -32.789 -8.549 1.00 4.41 N ATOM 1636 CA ASP A 105 19.330 -33.964 -8.508 1.00 54.35 C ATOM 1637 C ASP A 105 20.722 -33.583 -8.012 1.00 44.21 C ATOM 1638 O ASP A 105 21.569 -33.138 -8.788 1.00 12.41 O ATOM 1639 CB ASP A 105 19.421 -34.626 -9.894 1.00 3.32 C ATOM 1640 CG ASP A 105 18.088 -35.177 -10.369 1.00 1.22 C ATOM 1641 OD1 ASP A 105 17.737 -36.315 -9.990 1.00 55.20 O ATOM 1642 OD2 ASP A 105 17.379 -34.479 -11.126 1.00 52.25 O ATOM 0 H ASP A 105 18.375 -32.366 -9.473 1.00 4.41 H new ATOM 0 HA ASP A 105 18.894 -34.682 -7.813 1.00 54.35 H new ATOM 0 HB2 ASP A 105 19.786 -33.897 -10.617 1.00 3.32 H new ATOM 0 HB3 ASP A 105 20.152 -35.434 -9.859 1.00 3.32 H new ATOM 1647 N GLY A 106 20.946 -33.748 -6.712 1.00 62.13 N ATOM 1648 CA GLY A 106 22.213 -33.372 -6.112 1.00 11.31 C ATOM 1649 C GLY A 106 22.438 -34.025 -4.758 1.00 65.20 C ATOM 1650 O GLY A 106 22.644 -33.331 -3.759 1.00 31.24 O ATOM 0 H GLY A 106 20.267 -34.139 -6.059 1.00 62.13 H new ATOM 0 HA2 GLY A 106 23.025 -33.650 -6.784 1.00 11.31 H new ATOM 0 HA3 GLY A 106 22.249 -32.289 -5.999 1.00 11.31 H new ATOM 1654 N GLU A 107 22.366 -35.361 -4.731 1.00 23.42 N ATOM 1655 CA GLU A 107 22.721 -36.162 -3.550 1.00 2.20 C ATOM 1656 C GLU A 107 21.637 -36.127 -2.464 1.00 40.21 C ATOM 1657 O GLU A 107 21.037 -37.158 -2.147 1.00 12.10 O ATOM 1658 CB GLU A 107 24.068 -35.704 -2.969 1.00 33.32 C ATOM 1659 CG GLU A 107 24.550 -36.526 -1.776 1.00 33.22 C ATOM 1660 CD GLU A 107 25.817 -35.961 -1.157 1.00 63.21 C ATOM 1661 OE1 GLU A 107 26.917 -36.217 -1.695 1.00 44.23 O ATOM 1662 OE2 GLU A 107 25.721 -35.237 -0.147 1.00 2.52 O ATOM 0 H GLU A 107 22.060 -35.919 -5.528 1.00 23.42 H new ATOM 0 HA GLU A 107 22.806 -37.195 -3.887 1.00 2.20 H new ATOM 0 HB2 GLU A 107 24.823 -35.748 -3.754 1.00 33.32 H new ATOM 0 HB3 GLU A 107 23.984 -34.660 -2.666 1.00 33.32 H new ATOM 0 HG2 GLU A 107 23.764 -36.561 -1.021 1.00 33.22 H new ATOM 0 HG3 GLU A 107 24.731 -37.552 -2.095 1.00 33.22 H new ATOM 1669 N SER A 108 21.399 -34.944 -1.895 1.00 21.32 N ATOM 1670 CA SER A 108 20.504 -34.783 -0.746 1.00 31.33 C ATOM 1671 C SER A 108 19.152 -35.476 -0.964 1.00 60.00 C ATOM 1672 O SER A 108 18.725 -36.298 -0.149 1.00 11.30 O ATOM 1673 CB SER A 108 20.291 -33.291 -0.461 1.00 12.23 C ATOM 1674 OG SER A 108 21.530 -32.627 -0.267 1.00 51.11 O ATOM 0 H SER A 108 21.820 -34.072 -2.216 1.00 21.32 H new ATOM 0 HA SER A 108 20.978 -35.260 0.112 1.00 31.33 H new ATOM 0 HB2 SER A 108 19.755 -32.832 -1.291 1.00 12.23 H new ATOM 0 HB3 SER A 108 19.668 -33.172 0.426 1.00 12.23 H new ATOM 0 HG SER A 108 21.368 -31.677 -0.089 1.00 51.11 H new ATOM 1680 N GLY A 109 18.489 -35.136 -2.062 1.00 11.40 N ATOM 1681 CA GLY A 109 17.189 -35.707 -2.368 1.00 74.12 C ATOM 1682 C GLY A 109 16.084 -35.050 -1.566 1.00 72.41 C ATOM 1683 O GLY A 109 15.251 -34.326 -2.117 1.00 14.04 O ATOM 0 H GLY A 109 18.832 -34.468 -2.753 1.00 11.40 H new ATOM 0 HA2 GLY A 109 16.983 -35.593 -3.432 1.00 74.12 H new ATOM 0 HA3 GLY A 109 17.203 -36.777 -2.159 1.00 74.12 H new ATOM 1687 N GLY A 110 16.096 -35.293 -0.260 1.00 13.43 N ATOM 1688 CA GLY A 110 15.116 -34.704 0.635 1.00 33.40 C ATOM 1689 C GLY A 110 15.304 -35.196 2.055 1.00 63.40 C ATOM 1690 O GLY A 110 16.048 -36.153 2.278 1.00 25.54 O ATOM 0 H GLY A 110 16.777 -35.896 0.200 1.00 13.43 H new ATOM 0 HA2 GLY A 110 15.203 -33.618 0.609 1.00 33.40 H new ATOM 0 HA3 GLY A 110 14.111 -34.951 0.292 1.00 33.40 H new ATOM 1694 N PRO A 111 14.660 -34.557 3.050 1.00 53.01 N ATOM 1695 CA PRO A 111 14.755 -34.987 4.448 1.00 61.42 C ATOM 1696 C PRO A 111 14.113 -36.363 4.658 1.00 45.21 C ATOM 1697 O PRO A 111 14.793 -37.332 4.996 1.00 22.42 O ATOM 1698 CB PRO A 111 14.001 -33.888 5.222 1.00 10.14 C ATOM 1699 CG PRO A 111 13.092 -33.263 4.215 1.00 0.34 C ATOM 1700 CD PRO A 111 13.801 -33.367 2.889 1.00 40.33 C ATOM 0 HA PRO A 111 15.786 -35.102 4.782 1.00 61.42 H new ATOM 0 HB2 PRO A 111 13.438 -34.308 6.056 1.00 10.14 H new ATOM 0 HB3 PRO A 111 14.691 -33.155 5.640 1.00 10.14 H new ATOM 0 HG2 PRO A 111 12.132 -33.778 4.185 1.00 0.34 H new ATOM 0 HG3 PRO A 111 12.888 -32.222 4.467 1.00 0.34 H new ATOM 0 HD2 PRO A 111 13.097 -33.489 2.066 1.00 40.33 H new ATOM 0 HD3 PRO A 111 14.388 -32.474 2.677 1.00 40.33 H new ATOM 1708 N ARG A 112 12.803 -36.434 4.435 1.00 2.23 N ATOM 1709 CA ARG A 112 12.043 -37.672 4.557 1.00 23.43 C ATOM 1710 C ARG A 112 10.599 -37.428 4.131 1.00 64.04 C ATOM 1711 O ARG A 112 9.776 -38.357 4.227 1.00 53.13 O ATOM 1712 CB ARG A 112 12.126 -38.244 5.995 1.00 24.42 C ATOM 1713 CG ARG A 112 11.838 -37.241 7.118 1.00 72.30 C ATOM 1714 CD ARG A 112 10.350 -36.936 7.276 1.00 52.41 C ATOM 1715 NE ARG A 112 9.565 -38.142 7.565 1.00 62.15 N ATOM 1716 CZ ARG A 112 9.264 -38.566 8.798 1.00 31.24 C ATOM 1717 NH1 ARG A 112 9.737 -37.924 9.862 1.00 32.13 N ATOM 1718 NH2 ARG A 112 8.501 -39.640 8.969 1.00 30.31 N ATOM 1719 OXT ARG A 112 10.298 -36.293 3.692 1.00 0.00 O ATOM 0 H ARG A 112 12.238 -35.630 4.163 1.00 2.23 H new ATOM 0 HA ARG A 112 12.478 -38.421 3.896 1.00 23.43 H new ATOM 0 HB2 ARG A 112 11.422 -39.071 6.080 1.00 24.42 H new ATOM 0 HB3 ARG A 112 13.123 -38.657 6.147 1.00 24.42 H new ATOM 0 HG2 ARG A 112 12.225 -37.635 8.058 1.00 72.30 H new ATOM 0 HG3 ARG A 112 12.374 -36.314 6.916 1.00 72.30 H new ATOM 0 HD2 ARG A 112 10.212 -36.213 8.080 1.00 52.41 H new ATOM 0 HD3 ARG A 112 9.977 -36.472 6.363 1.00 52.41 H new ATOM 0 HE ARG A 112 9.227 -38.692 6.775 1.00 62.15 H new ATOM 0 HH11 ARG A 112 10.332 -37.105 9.740 1.00 32.13 H new ATOM 0 HH12 ARG A 112 9.505 -38.251 10.800 1.00 32.13 H new ATOM 0 HH21 ARG A 112 8.142 -40.145 8.159 1.00 30.31 H new ATOM 0 HH22 ARG A 112 8.274 -39.960 9.911 1.00 30.31 H new TER 1733 ARG A 112