USER MOD reduce.3.24.130724 H: found=0, std=0, add=849, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 721 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 53 SER OG : rot -160:sc= -0.645 USER MOD Set 1.2: A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot -153:sc= 0.959 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.0319 USER MOD Single : A 29 LYS NZ :NH3+ 171:sc= -0.024 (180deg=-0.13) USER MOD Single : A 40 LYS NZ :NH3+ -170:sc= 1.19 (180deg=1.18) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.204 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl 156:sc= -0.0103 (180deg=-0.517) USER MOD Single : A 66 GLN : amide:sc= -0.799 X(o=-0.8,f=-0.48) USER MOD Single : A 70 SER OG : rot -149:sc= 0.00178 USER MOD Single : A 71 THR OG1 : rot 140:sc= 0 USER MOD Single : A 102 HIS : no HD1:sc= -0.0619 K(o=-0.062,f=-2.1) USER MOD Single : A 105 THR OG1 : rot -38:sc= 0.0332 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.183 -16.290 14.008 1.00 23.05 N ATOM 2 CA GLY A 1 -10.348 -15.438 14.250 1.00 3.35 C ATOM 3 C GLY A 1 -11.184 -15.381 12.988 1.00 11.42 C ATOM 4 O GLY A 1 -11.649 -16.418 12.527 1.00 71.41 O ATOM 0 H1 GLY A 1 -8.602 -16.336 14.869 1.00 23.05 H new ATOM 0 H2 GLY A 1 -9.500 -17.247 13.753 1.00 23.05 H new ATOM 0 H3 GLY A 1 -8.618 -15.893 13.230 1.00 23.05 H new ATOM 0 HA2 GLY A 1 -10.939 -15.833 15.076 1.00 3.35 H new ATOM 0 HA3 GLY A 1 -10.029 -14.436 14.537 1.00 3.35 H new ATOM 8 N MET A 2 -11.378 -14.189 12.424 1.00 23.13 N ATOM 9 CA MET A 2 -11.971 -14.016 11.098 1.00 3.15 C ATOM 10 C MET A 2 -10.960 -14.410 10.003 1.00 64.04 C ATOM 11 O MET A 2 -9.851 -14.866 10.310 1.00 23.12 O ATOM 12 CB MET A 2 -12.437 -12.558 10.940 1.00 42.11 C ATOM 13 CG MET A 2 -13.461 -12.121 12.001 1.00 0.33 C ATOM 14 SD MET A 2 -14.949 -13.146 12.180 1.00 52.41 S ATOM 15 CE MET A 2 -15.446 -12.622 13.844 1.00 2.13 C ATOM 0 H MET A 2 -11.126 -13.311 12.877 1.00 23.13 H new ATOM 0 HA MET A 2 -12.836 -14.670 10.991 1.00 3.15 H new ATOM 0 HB2 MET A 2 -11.569 -11.900 10.992 1.00 42.11 H new ATOM 0 HB3 MET A 2 -12.875 -12.430 9.950 1.00 42.11 H new ATOM 0 HG2 MET A 2 -12.955 -12.086 12.966 1.00 0.33 H new ATOM 0 HG3 MET A 2 -13.776 -11.104 11.769 1.00 0.33 H new ATOM 0 HE1 MET A 2 -16.354 -13.149 14.135 1.00 2.13 H new ATOM 0 HE2 MET A 2 -14.649 -12.853 14.551 1.00 2.13 H new ATOM 0 HE3 MET A 2 -15.633 -11.548 13.847 1.00 2.13 H new ATOM 23 N LEU A 3 -11.315 -14.227 8.726 1.00 3.13 N ATOM 24 CA LEU A 3 -10.413 -14.427 7.592 1.00 34.23 C ATOM 25 C LEU A 3 -10.667 -13.331 6.549 1.00 2.13 C ATOM 26 O LEU A 3 -11.450 -13.506 5.611 1.00 51.43 O ATOM 27 CB LEU A 3 -10.579 -15.852 7.021 1.00 4.15 C ATOM 28 CG LEU A 3 -9.289 -16.526 6.517 1.00 61.35 C ATOM 29 CD1 LEU A 3 -8.399 -15.639 5.634 1.00 54.12 C ATOM 30 CD2 LEU A 3 -8.481 -17.044 7.711 1.00 12.11 C ATOM 0 H LEU A 3 -12.251 -13.931 8.450 1.00 3.13 H new ATOM 0 HA LEU A 3 -9.374 -14.343 7.912 1.00 34.23 H new ATOM 0 HB2 LEU A 3 -11.019 -16.484 7.793 1.00 4.15 H new ATOM 0 HB3 LEU A 3 -11.292 -15.812 6.197 1.00 4.15 H new ATOM 0 HG LEU A 3 -9.615 -17.344 5.875 1.00 61.35 H new ATOM 0 HD11 LEU A 3 -7.516 -16.200 5.328 1.00 54.12 H new ATOM 0 HD12 LEU A 3 -8.957 -15.330 4.750 1.00 54.12 H new ATOM 0 HD13 LEU A 3 -8.092 -14.757 6.196 1.00 54.12 H new ATOM 0 HD21 LEU A 3 -7.568 -17.521 7.353 1.00 12.11 H new ATOM 0 HD22 LEU A 3 -8.223 -16.211 8.365 1.00 12.11 H new ATOM 0 HD23 LEU A 3 -9.076 -17.770 8.266 1.00 12.11 H new ATOM 41 N LEU A 4 -10.057 -12.162 6.737 1.00 44.41 N ATOM 42 CA LEU A 4 -10.135 -11.042 5.788 1.00 1.31 C ATOM 43 C LEU A 4 -9.533 -11.456 4.435 1.00 4.35 C ATOM 44 O LEU A 4 -8.795 -12.438 4.366 1.00 21.12 O ATOM 45 CB LEU A 4 -9.382 -9.820 6.357 1.00 1.15 C ATOM 46 CG LEU A 4 -10.171 -8.898 7.310 1.00 73.43 C ATOM 47 CD1 LEU A 4 -11.120 -8.013 6.508 1.00 21.23 C ATOM 48 CD2 LEU A 4 -10.959 -9.614 8.414 1.00 11.55 C ATOM 0 H LEU A 4 -9.488 -11.959 7.559 1.00 44.41 H new ATOM 0 HA LEU A 4 -11.181 -10.773 5.638 1.00 1.31 H new ATOM 0 HB2 LEU A 4 -8.500 -10.181 6.886 1.00 1.15 H new ATOM 0 HB3 LEU A 4 -9.028 -9.219 5.519 1.00 1.15 H new ATOM 0 HG LEU A 4 -9.412 -8.309 7.825 1.00 73.43 H new ATOM 0 HD11 LEU A 4 -11.674 -7.365 7.187 1.00 21.23 H new ATOM 0 HD12 LEU A 4 -10.546 -7.403 5.811 1.00 21.23 H new ATOM 0 HD13 LEU A 4 -11.819 -8.639 5.953 1.00 21.23 H new ATOM 0 HD21 LEU A 4 -11.477 -8.877 9.028 1.00 11.55 H new ATOM 0 HD22 LEU A 4 -11.688 -10.287 7.963 1.00 11.55 H new ATOM 0 HD23 LEU A 4 -10.273 -10.187 9.037 1.00 11.55 H new ATOM 59 N SER A 5 -9.822 -10.707 3.363 1.00 2.35 N ATOM 60 CA SER A 5 -9.215 -10.927 2.047 1.00 54.54 C ATOM 61 C SER A 5 -8.648 -9.625 1.486 1.00 40.21 C ATOM 62 O SER A 5 -8.977 -8.555 2.003 1.00 21.24 O ATOM 63 CB SER A 5 -10.261 -11.520 1.110 1.00 14.21 C ATOM 64 OG SER A 5 -10.772 -12.729 1.634 1.00 51.40 O ATOM 0 H SER A 5 -10.484 -9.931 3.385 1.00 2.35 H new ATOM 0 HA SER A 5 -8.384 -11.626 2.143 1.00 54.54 H new ATOM 0 HB2 SER A 5 -11.074 -10.808 0.966 1.00 14.21 H new ATOM 0 HB3 SER A 5 -9.819 -11.701 0.130 1.00 14.21 H new ATOM 0 HG SER A 5 -11.443 -13.094 1.020 1.00 51.40 H new ATOM 69 N THR A 6 -7.836 -9.714 0.424 1.00 12.10 N ATOM 70 CA THR A 6 -7.093 -8.577 -0.100 1.00 34.32 C ATOM 71 C THR A 6 -8.012 -7.393 -0.371 1.00 44.22 C ATOM 72 O THR A 6 -7.737 -6.295 0.123 1.00 22.34 O ATOM 73 CB THR A 6 -6.260 -8.949 -1.340 1.00 64.23 C ATOM 74 OG1 THR A 6 -5.391 -10.021 -1.031 1.00 43.21 O ATOM 75 CG2 THR A 6 -5.454 -7.731 -1.799 1.00 64.13 C ATOM 0 H THR A 6 -7.681 -10.580 -0.091 1.00 12.10 H new ATOM 0 HA THR A 6 -6.385 -8.274 0.671 1.00 34.32 H new ATOM 0 HB THR A 6 -6.927 -9.259 -2.145 1.00 64.23 H new ATOM 0 HG1 THR A 6 -4.604 -9.982 -1.614 1.00 43.21 H new ATOM 0 HG21 THR A 6 -4.864 -7.995 -2.677 1.00 64.13 H new ATOM 0 HG22 THR A 6 -6.135 -6.918 -2.050 1.00 64.13 H new ATOM 0 HG23 THR A 6 -4.788 -7.412 -0.997 1.00 64.13 H new ATOM 83 N ASP A 7 -9.067 -7.590 -1.167 1.00 13.44 N ATOM 84 CA ASP A 7 -9.897 -6.469 -1.601 1.00 55.21 C ATOM 85 C ASP A 7 -10.661 -5.834 -0.438 1.00 72.42 C ATOM 86 O ASP A 7 -10.932 -4.636 -0.479 1.00 1.13 O ATOM 87 CB ASP A 7 -10.826 -6.825 -2.759 1.00 32.45 C ATOM 88 CG ASP A 7 -12.146 -7.489 -2.385 1.00 35.23 C ATOM 89 OD1 ASP A 7 -12.147 -8.385 -1.512 1.00 61.00 O ATOM 90 OD2 ASP A 7 -13.128 -7.191 -3.102 1.00 43.22 O ATOM 0 H ASP A 7 -9.361 -8.501 -1.518 1.00 13.44 H new ATOM 0 HA ASP A 7 -9.205 -5.719 -1.984 1.00 55.21 H new ATOM 0 HB2 ASP A 7 -11.047 -5.913 -3.314 1.00 32.45 H new ATOM 0 HB3 ASP A 7 -10.289 -7.488 -3.437 1.00 32.45 H new ATOM 94 N ILE A 8 -10.914 -6.584 0.639 1.00 51.30 N ATOM 95 CA ILE A 8 -11.651 -6.104 1.802 1.00 73.14 C ATOM 96 C ILE A 8 -10.900 -4.949 2.466 1.00 42.10 C ATOM 97 O ILE A 8 -11.486 -3.918 2.812 1.00 33.43 O ATOM 98 CB ILE A 8 -11.897 -7.233 2.811 1.00 21.34 C ATOM 99 CG1 ILE A 8 -12.539 -8.474 2.179 1.00 20.15 C ATOM 100 CG2 ILE A 8 -12.751 -6.683 3.963 1.00 53.20 C ATOM 101 CD1 ILE A 8 -13.904 -8.277 1.524 1.00 63.43 C ATOM 0 H ILE A 8 -10.607 -7.553 0.724 1.00 51.30 H new ATOM 0 HA ILE A 8 -12.622 -5.744 1.460 1.00 73.14 H new ATOM 0 HB ILE A 8 -10.932 -7.570 3.190 1.00 21.34 H new ATOM 0 HG12 ILE A 8 -11.854 -8.867 1.428 1.00 20.15 H new ATOM 0 HG13 ILE A 8 -12.638 -9.237 2.951 1.00 20.15 H new ATOM 0 HG21 ILE A 8 -12.935 -7.474 4.690 1.00 53.20 H new ATOM 0 HG22 ILE A 8 -12.223 -5.861 4.447 1.00 53.20 H new ATOM 0 HG23 ILE A 8 -13.702 -6.322 3.571 1.00 53.20 H new ATOM 0 HD11 ILE A 8 -14.251 -9.226 1.115 1.00 63.43 H new ATOM 0 HD12 ILE A 8 -14.616 -7.920 2.268 1.00 63.43 H new ATOM 0 HD13 ILE A 8 -13.820 -7.544 0.721 1.00 63.43 H new ATOM 112 N TRP A 9 -9.594 -5.130 2.674 1.00 4.32 N ATOM 113 CA TRP A 9 -8.775 -4.106 3.291 1.00 35.44 C ATOM 114 C TRP A 9 -8.696 -2.874 2.401 1.00 35.05 C ATOM 115 O TRP A 9 -8.861 -1.770 2.922 1.00 40.10 O ATOM 116 CB TRP A 9 -7.374 -4.629 3.535 1.00 33.43 C ATOM 117 CG TRP A 9 -7.232 -5.778 4.485 1.00 53.41 C ATOM 118 CD1 TRP A 9 -7.782 -5.890 5.716 1.00 74.32 C ATOM 119 CD2 TRP A 9 -6.543 -7.039 4.246 1.00 55.42 C ATOM 120 NE1 TRP A 9 -7.331 -7.055 6.311 1.00 31.21 N ATOM 121 CE2 TRP A 9 -6.661 -7.850 5.407 1.00 3.12 C ATOM 122 CE3 TRP A 9 -5.878 -7.591 3.136 1.00 13.42 C ATOM 123 CZ2 TRP A 9 -6.182 -9.167 5.446 1.00 31.34 C ATOM 124 CZ3 TRP A 9 -5.415 -8.921 3.150 1.00 61.42 C ATOM 125 CH2 TRP A 9 -5.594 -9.717 4.298 1.00 32.34 C ATOM 0 H TRP A 9 -9.089 -5.979 2.421 1.00 4.32 H new ATOM 0 HA TRP A 9 -9.235 -3.835 4.241 1.00 35.44 H new ATOM 0 HB2 TRP A 9 -6.953 -4.929 2.575 1.00 33.43 H new ATOM 0 HB3 TRP A 9 -6.765 -3.805 3.907 1.00 33.43 H new ATOM 0 HD1 TRP A 9 -8.465 -5.183 6.163 1.00 74.32 H new ATOM 0 HE1 TRP A 9 -7.476 -7.294 7.292 1.00 31.21 H new ATOM 0 HE3 TRP A 9 -5.720 -6.984 2.257 1.00 13.42 H new ATOM 0 HZ2 TRP A 9 -6.265 -9.752 6.350 1.00 31.34 H new ATOM 0 HZ3 TRP A 9 -4.923 -9.331 2.280 1.00 61.42 H new ATOM 0 HH2 TRP A 9 -5.279 -10.750 4.294 1.00 32.34 H new ATOM 135 N VAL A 10 -8.479 -3.051 1.088 1.00 34.05 N ATOM 136 CA VAL A 10 -8.511 -1.945 0.123 1.00 14.23 C ATOM 137 C VAL A 10 -9.814 -1.175 0.287 1.00 41.50 C ATOM 138 O VAL A 10 -9.816 0.055 0.364 1.00 3.45 O ATOM 139 CB VAL A 10 -8.384 -2.447 -1.333 1.00 23.03 C ATOM 140 CG1 VAL A 10 -8.278 -1.291 -2.346 1.00 51.40 C ATOM 141 CG2 VAL A 10 -7.143 -3.290 -1.516 1.00 0.12 C ATOM 0 H VAL A 10 -8.278 -3.959 0.669 1.00 34.05 H new ATOM 0 HA VAL A 10 -7.659 -1.296 0.324 1.00 14.23 H new ATOM 0 HB VAL A 10 -9.289 -3.027 -1.516 1.00 23.03 H new ATOM 0 HG11 VAL A 10 -8.191 -1.697 -3.354 1.00 51.40 H new ATOM 0 HG12 VAL A 10 -9.170 -0.668 -2.282 1.00 51.40 H new ATOM 0 HG13 VAL A 10 -7.398 -0.689 -2.120 1.00 51.40 H new ATOM 0 HG21 VAL A 10 -7.082 -3.628 -2.550 1.00 0.12 H new ATOM 0 HG22 VAL A 10 -6.261 -2.696 -1.276 1.00 0.12 H new ATOM 0 HG23 VAL A 10 -7.190 -4.155 -0.854 1.00 0.12 H new ATOM 151 N ALA A 11 -10.925 -1.902 0.333 1.00 1.41 N ATOM 152 CA ALA A 11 -12.243 -1.324 0.314 1.00 71.04 C ATOM 153 C ALA A 11 -12.526 -0.486 1.558 1.00 4.14 C ATOM 154 O ALA A 11 -13.274 0.488 1.464 1.00 2.42 O ATOM 155 CB ALA A 11 -13.257 -2.465 0.202 1.00 31.31 C ATOM 0 H ALA A 11 -10.924 -2.921 0.385 1.00 1.41 H new ATOM 0 HA ALA A 11 -12.320 -0.649 -0.538 1.00 71.04 H new ATOM 0 HB1 ALA A 11 -14.267 -2.054 0.186 1.00 31.31 H new ATOM 0 HB2 ALA A 11 -13.077 -3.023 -0.717 1.00 31.31 H new ATOM 0 HB3 ALA A 11 -13.151 -3.132 1.058 1.00 31.31 H new ATOM 161 N ALA A 12 -11.968 -0.856 2.711 1.00 40.44 N ATOM 162 CA ALA A 12 -12.044 -0.046 3.916 1.00 40.14 C ATOM 163 C ALA A 12 -11.086 1.139 3.805 1.00 51.13 C ATOM 164 O ALA A 12 -11.515 2.288 3.902 1.00 34.23 O ATOM 165 CB ALA A 12 -11.720 -0.912 5.141 1.00 1.14 C ATOM 0 H ALA A 12 -11.451 -1.727 2.831 1.00 40.44 H new ATOM 0 HA ALA A 12 -13.054 0.346 4.033 1.00 40.14 H new ATOM 0 HB1 ALA A 12 -11.778 -0.303 6.043 1.00 1.14 H new ATOM 0 HB2 ALA A 12 -12.438 -1.729 5.209 1.00 1.14 H new ATOM 0 HB3 ALA A 12 -10.714 -1.320 5.042 1.00 1.14 H new ATOM 171 N LEU A 13 -9.796 0.852 3.604 1.00 24.03 N ATOM 172 CA LEU A 13 -8.683 1.790 3.505 1.00 11.21 C ATOM 173 C LEU A 13 -9.039 2.977 2.618 1.00 62.42 C ATOM 174 O LEU A 13 -8.949 4.111 3.074 1.00 35.41 O ATOM 175 CB LEU A 13 -7.421 1.058 2.992 1.00 24.02 C ATOM 176 CG LEU A 13 -6.302 2.005 2.512 1.00 20.04 C ATOM 177 CD1 LEU A 13 -5.719 2.796 3.677 1.00 62.03 C ATOM 178 CD2 LEU A 13 -5.197 1.203 1.831 1.00 61.04 C ATOM 0 H LEU A 13 -9.484 -0.113 3.499 1.00 24.03 H new ATOM 0 HA LEU A 13 -8.471 2.186 4.498 1.00 11.21 H new ATOM 0 HB2 LEU A 13 -7.031 0.425 3.789 1.00 24.02 H new ATOM 0 HB3 LEU A 13 -7.703 0.399 2.171 1.00 24.02 H new ATOM 0 HG LEU A 13 -6.734 2.708 1.799 1.00 20.04 H new ATOM 0 HD11 LEU A 13 -4.932 3.456 3.311 1.00 62.03 H new ATOM 0 HD12 LEU A 13 -6.505 3.391 4.142 1.00 62.03 H new ATOM 0 HD13 LEU A 13 -5.302 2.107 4.412 1.00 62.03 H new ATOM 0 HD21 LEU A 13 -4.411 1.879 1.495 1.00 61.04 H new ATOM 0 HD22 LEU A 13 -4.781 0.485 2.537 1.00 61.04 H new ATOM 0 HD23 LEU A 13 -5.609 0.671 0.973 1.00 61.04 H new ATOM 189 N ILE A 14 -9.421 2.718 1.369 1.00 3.23 N ATOM 190 CA ILE A 14 -9.690 3.756 0.382 1.00 71.22 C ATOM 191 C ILE A 14 -10.778 4.684 0.898 1.00 71.24 C ATOM 192 O ILE A 14 -10.593 5.898 0.917 1.00 71.31 O ATOM 193 CB ILE A 14 -10.041 3.083 -0.961 1.00 75.43 C ATOM 194 CG1 ILE A 14 -8.780 2.480 -1.608 1.00 22.05 C ATOM 195 CG2 ILE A 14 -10.750 4.011 -1.958 1.00 32.43 C ATOM 196 CD1 ILE A 14 -7.721 3.519 -1.982 1.00 24.44 C ATOM 0 H ILE A 14 -9.553 1.772 1.012 1.00 3.23 H new ATOM 0 HA ILE A 14 -8.812 4.379 0.213 1.00 71.22 H new ATOM 0 HB ILE A 14 -10.752 2.293 -0.719 1.00 75.43 H new ATOM 0 HG12 ILE A 14 -8.340 1.758 -0.920 1.00 22.05 H new ATOM 0 HG13 ILE A 14 -9.070 1.931 -2.504 1.00 22.05 H new ATOM 0 HG21 ILE A 14 -10.963 3.464 -2.876 1.00 32.43 H new ATOM 0 HG22 ILE A 14 -11.684 4.367 -1.523 1.00 32.43 H new ATOM 0 HG23 ILE A 14 -10.107 4.862 -2.183 1.00 32.43 H new ATOM 0 HD11 ILE A 14 -6.863 3.019 -2.432 1.00 24.44 H new ATOM 0 HD12 ILE A 14 -8.143 4.228 -2.695 1.00 24.44 H new ATOM 0 HD13 ILE A 14 -7.402 4.052 -1.086 1.00 24.44 H new ATOM 207 N ARG A 15 -11.888 4.114 1.374 1.00 2.45 N ATOM 208 CA ARG A 15 -12.976 4.931 1.889 1.00 23.03 C ATOM 209 C ARG A 15 -12.496 5.788 3.054 1.00 22.43 C ATOM 210 O ARG A 15 -12.813 6.972 3.107 1.00 40.51 O ATOM 211 CB ARG A 15 -14.187 4.077 2.282 1.00 71.32 C ATOM 212 CG ARG A 15 -14.888 3.478 1.055 1.00 73.32 C ATOM 213 CD ARG A 15 -16.251 2.873 1.406 1.00 42.52 C ATOM 214 NE ARG A 15 -17.198 3.895 1.876 1.00 52.14 N ATOM 215 CZ ARG A 15 -18.521 3.771 1.969 1.00 34.42 C ATOM 216 NH1 ARG A 15 -19.139 2.625 1.712 1.00 55.31 N ATOM 217 NH2 ARG A 15 -19.251 4.812 2.335 1.00 22.02 N ATOM 0 H ARG A 15 -12.051 3.108 1.411 1.00 2.45 H new ATOM 0 HA ARG A 15 -13.303 5.597 1.090 1.00 23.03 H new ATOM 0 HB2 ARG A 15 -13.865 3.273 2.944 1.00 71.32 H new ATOM 0 HB3 ARG A 15 -14.895 4.687 2.843 1.00 71.32 H new ATOM 0 HG2 ARG A 15 -15.020 4.253 0.300 1.00 73.32 H new ATOM 0 HG3 ARG A 15 -14.253 2.709 0.615 1.00 73.32 H new ATOM 0 HD2 ARG A 15 -16.663 2.372 0.530 1.00 42.52 H new ATOM 0 HD3 ARG A 15 -16.124 2.113 2.177 1.00 42.52 H new ATOM 0 HE ARG A 15 -16.801 4.791 2.160 1.00 52.14 H new ATOM 0 HH11 ARG A 15 -18.599 1.806 1.434 1.00 55.31 H new ATOM 0 HH12 ARG A 15 -20.154 2.564 1.793 1.00 55.31 H new ATOM 0 HH21 ARG A 15 -18.800 5.703 2.544 1.00 22.02 H new ATOM 0 HH22 ARG A 15 -20.265 4.724 2.408 1.00 22.02 H new ATOM 228 N ARG A 16 -11.750 5.196 3.990 1.00 44.53 N ATOM 229 CA ARG A 16 -11.222 5.879 5.170 1.00 14.14 C ATOM 230 C ARG A 16 -10.309 7.035 4.760 1.00 1.34 C ATOM 231 O ARG A 16 -10.397 8.096 5.378 1.00 3.53 O ATOM 232 CB ARG A 16 -10.469 4.871 6.056 1.00 42.52 C ATOM 233 CG ARG A 16 -11.413 3.868 6.738 1.00 53.42 C ATOM 234 CD ARG A 16 -10.667 2.606 7.182 1.00 62.21 C ATOM 235 NE ARG A 16 -11.557 1.705 7.937 1.00 34.42 N ATOM 236 CZ ARG A 16 -11.490 1.382 9.234 1.00 73.03 C ATOM 237 NH1 ARG A 16 -10.563 1.889 10.046 1.00 41.32 N ATOM 238 NH2 ARG A 16 -12.384 0.535 9.715 1.00 12.55 N ATOM 0 H ARG A 16 -11.492 4.210 3.947 1.00 44.53 H new ATOM 0 HA ARG A 16 -12.051 6.297 5.741 1.00 14.14 H new ATOM 0 HB2 ARG A 16 -9.745 4.328 5.449 1.00 42.52 H new ATOM 0 HB3 ARG A 16 -9.906 5.411 6.817 1.00 42.52 H new ATOM 0 HG2 ARG A 16 -11.881 4.338 7.603 1.00 53.42 H new ATOM 0 HG3 ARG A 16 -12.214 3.595 6.051 1.00 53.42 H new ATOM 0 HD2 ARG A 16 -10.273 2.086 6.309 1.00 62.21 H new ATOM 0 HD3 ARG A 16 -9.813 2.882 7.801 1.00 62.21 H new ATOM 0 HE ARG A 16 -12.315 1.276 7.407 1.00 34.42 H new ATOM 0 HH11 ARG A 16 -9.873 2.547 9.684 1.00 41.32 H new ATOM 0 HH12 ARG A 16 -10.544 1.619 11.029 1.00 41.32 H new ATOM 0 HH21 ARG A 16 -13.100 0.146 9.101 1.00 12.55 H new ATOM 0 HH22 ARG A 16 -12.358 0.270 10.700 1.00 12.55 H new ATOM 249 N ALA A 17 -9.457 6.840 3.753 1.00 32.14 N ATOM 250 CA ALA A 17 -8.538 7.852 3.252 1.00 31.14 C ATOM 251 C ALA A 17 -9.301 9.020 2.639 1.00 41.24 C ATOM 252 O ALA A 17 -9.119 10.169 3.040 1.00 41.10 O ATOM 253 CB ALA A 17 -7.603 7.220 2.222 1.00 20.03 C ATOM 0 H ALA A 17 -9.388 5.953 3.255 1.00 32.14 H new ATOM 0 HA ALA A 17 -7.948 8.240 4.082 1.00 31.14 H new ATOM 0 HB1 ALA A 17 -6.913 7.975 1.845 1.00 20.03 H new ATOM 0 HB2 ALA A 17 -7.038 6.414 2.690 1.00 20.03 H new ATOM 0 HB3 ALA A 17 -8.190 6.819 1.395 1.00 20.03 H new ATOM 259 N GLU A 18 -10.188 8.728 1.689 1.00 24.32 N ATOM 260 CA GLU A 18 -10.954 9.756 1.003 1.00 4.53 C ATOM 261 C GLU A 18 -11.904 10.483 1.972 1.00 34.31 C ATOM 262 O GLU A 18 -12.153 11.672 1.792 1.00 41.42 O ATOM 263 CB GLU A 18 -11.667 9.143 -0.209 1.00 51.41 C ATOM 264 CG GLU A 18 -10.690 8.822 -1.362 1.00 51.42 C ATOM 265 CD GLU A 18 -11.314 9.140 -2.726 1.00 24.31 C ATOM 266 OE1 GLU A 18 -12.314 8.490 -3.090 1.00 52.30 O ATOM 267 OE2 GLU A 18 -10.792 10.030 -3.445 1.00 75.03 O ATOM 0 H GLU A 18 -10.392 7.778 1.378 1.00 24.32 H new ATOM 0 HA GLU A 18 -10.281 10.526 0.626 1.00 4.53 H new ATOM 0 HB2 GLU A 18 -12.178 8.230 0.096 1.00 51.41 H new ATOM 0 HB3 GLU A 18 -12.432 9.833 -0.565 1.00 51.41 H new ATOM 0 HG2 GLU A 18 -9.773 9.398 -1.236 1.00 51.42 H new ATOM 0 HG3 GLU A 18 -10.412 7.769 -1.323 1.00 51.42 H new ATOM 272 N LEU A 19 -12.333 9.839 3.069 1.00 12.42 N ATOM 273 CA LEU A 19 -13.059 10.464 4.187 1.00 42.43 C ATOM 274 C LEU A 19 -12.244 11.536 4.904 1.00 72.21 C ATOM 275 O LEU A 19 -12.795 12.454 5.515 1.00 75.32 O ATOM 276 CB LEU A 19 -13.433 9.400 5.235 1.00 75.44 C ATOM 277 CG LEU A 19 -14.922 9.087 5.215 1.00 15.23 C ATOM 278 CD1 LEU A 19 -15.191 7.760 5.931 1.00 3.25 C ATOM 279 CD2 LEU A 19 -15.701 10.207 5.908 1.00 40.24 C ATOM 0 H LEU A 19 -12.180 8.840 3.207 1.00 12.42 H new ATOM 0 HA LEU A 19 -13.941 10.929 3.747 1.00 42.43 H new ATOM 0 HB2 LEU A 19 -12.867 8.488 5.045 1.00 75.44 H new ATOM 0 HB3 LEU A 19 -13.148 9.751 6.227 1.00 75.44 H new ATOM 0 HG LEU A 19 -15.248 9.008 4.178 1.00 15.23 H new ATOM 0 HD11 LEU A 19 -16.260 7.546 5.911 1.00 3.25 H new ATOM 0 HD12 LEU A 19 -14.651 6.959 5.427 1.00 3.25 H new ATOM 0 HD13 LEU A 19 -14.854 7.830 6.965 1.00 3.25 H new ATOM 0 HD21 LEU A 19 -16.766 9.975 5.889 1.00 40.24 H new ATOM 0 HD22 LEU A 19 -15.367 10.297 6.942 1.00 40.24 H new ATOM 0 HD23 LEU A 19 -15.526 11.148 5.387 1.00 40.24 H new ATOM 290 N GLY A 20 -10.922 11.404 4.863 1.00 41.40 N ATOM 291 CA GLY A 20 -9.977 12.453 5.227 1.00 72.30 C ATOM 292 C GLY A 20 -10.323 13.750 4.500 1.00 71.13 C ATOM 293 O GLY A 20 -10.377 14.828 5.098 1.00 22.14 O ATOM 0 H GLY A 20 -10.466 10.541 4.568 1.00 41.40 H new ATOM 0 HA2 GLY A 20 -9.999 12.615 6.305 1.00 72.30 H new ATOM 0 HA3 GLY A 20 -8.963 12.144 4.972 1.00 72.30 H new ATOM 297 N GLY A 21 -10.610 13.619 3.206 1.00 53.50 N ATOM 298 CA GLY A 21 -10.578 14.693 2.238 1.00 34.35 C ATOM 299 C GLY A 21 -9.236 14.713 1.502 1.00 2.25 C ATOM 300 O GLY A 21 -8.852 15.763 0.995 1.00 60.41 O ATOM 0 H GLY A 21 -10.880 12.725 2.796 1.00 53.50 H new ATOM 0 HA2 GLY A 21 -11.390 14.569 1.522 1.00 34.35 H new ATOM 0 HA3 GLY A 21 -10.738 15.647 2.740 1.00 34.35 H new ATOM 304 N ALA A 22 -8.518 13.586 1.461 1.00 24.41 N ATOM 305 CA ALA A 22 -7.326 13.370 0.646 1.00 60.03 C ATOM 306 C ALA A 22 -7.695 12.549 -0.597 1.00 63.43 C ATOM 307 O ALA A 22 -8.847 12.118 -0.731 1.00 75.21 O ATOM 308 CB ALA A 22 -6.286 12.644 1.500 1.00 72.43 C ATOM 0 H ALA A 22 -8.764 12.768 2.019 1.00 24.41 H new ATOM 0 HA ALA A 22 -6.911 14.320 0.308 1.00 60.03 H new ATOM 0 HB1 ALA A 22 -5.386 12.472 0.910 1.00 72.43 H new ATOM 0 HB2 ALA A 22 -6.039 13.254 2.369 1.00 72.43 H new ATOM 0 HB3 ALA A 22 -6.691 11.688 1.831 1.00 72.43 H new ATOM 314 N PHE A 23 -6.735 12.341 -1.500 1.00 21.01 N ATOM 315 CA PHE A 23 -6.906 11.587 -2.734 1.00 35.13 C ATOM 316 C PHE A 23 -6.406 10.167 -2.485 1.00 15.42 C ATOM 317 O PHE A 23 -5.243 9.987 -2.118 1.00 31.44 O ATOM 318 CB PHE A 23 -6.089 12.274 -3.840 1.00 3.44 C ATOM 319 CG PHE A 23 -6.287 11.744 -5.243 1.00 23.33 C ATOM 320 CD1 PHE A 23 -7.295 12.277 -6.071 1.00 71.44 C ATOM 321 CD2 PHE A 23 -5.387 10.792 -5.761 1.00 35.01 C ATOM 322 CE1 PHE A 23 -7.386 11.875 -7.416 1.00 74.41 C ATOM 323 CE2 PHE A 23 -5.478 10.400 -7.105 1.00 24.45 C ATOM 324 CZ PHE A 23 -6.471 10.944 -7.937 1.00 41.40 C ATOM 0 H PHE A 23 -5.789 12.706 -1.385 1.00 21.01 H new ATOM 0 HA PHE A 23 -7.950 11.551 -3.045 1.00 35.13 H new ATOM 0 HB2 PHE A 23 -6.334 13.336 -3.837 1.00 3.44 H new ATOM 0 HB3 PHE A 23 -5.032 12.190 -3.588 1.00 3.44 H new ATOM 0 HD1 PHE A 23 -7.998 12.994 -5.673 1.00 71.44 H new ATOM 0 HD2 PHE A 23 -4.627 10.364 -5.124 1.00 35.01 H new ATOM 0 HE1 PHE A 23 -8.160 12.282 -8.049 1.00 74.41 H new ATOM 0 HE2 PHE A 23 -4.781 9.677 -7.502 1.00 24.45 H new ATOM 0 HZ PHE A 23 -6.531 10.648 -8.974 1.00 41.40 H new ATOM 333 N ALA A 24 -7.257 9.158 -2.667 1.00 12.53 N ATOM 334 CA ALA A 24 -6.843 7.766 -2.591 1.00 64.43 C ATOM 335 C ALA A 24 -7.646 6.942 -3.585 1.00 61.34 C ATOM 336 O ALA A 24 -8.843 7.179 -3.762 1.00 3.11 O ATOM 337 CB ALA A 24 -7.053 7.248 -1.169 1.00 73.32 C ATOM 0 H ALA A 24 -8.248 9.286 -2.870 1.00 12.53 H new ATOM 0 HA ALA A 24 -5.785 7.681 -2.841 1.00 64.43 H new ATOM 0 HB1 ALA A 24 -6.743 6.205 -1.112 1.00 73.32 H new ATOM 0 HB2 ALA A 24 -6.459 7.842 -0.474 1.00 73.32 H new ATOM 0 HB3 ALA A 24 -8.107 7.328 -0.905 1.00 73.32 H new ATOM 343 N THR A 25 -7.011 5.945 -4.200 1.00 21.35 N ATOM 344 CA THR A 25 -7.663 5.054 -5.140 1.00 33.44 C ATOM 345 C THR A 25 -6.801 3.806 -5.345 1.00 44.34 C ATOM 346 O THR A 25 -5.723 3.645 -4.763 1.00 53.51 O ATOM 347 CB THR A 25 -8.005 5.798 -6.445 1.00 54.34 C ATOM 348 OG1 THR A 25 -9.017 5.079 -7.129 1.00 34.32 O ATOM 349 CG2 THR A 25 -6.781 5.980 -7.341 1.00 43.42 C ATOM 0 H THR A 25 -6.023 5.737 -4.054 1.00 21.35 H new ATOM 0 HA THR A 25 -8.617 4.714 -4.738 1.00 33.44 H new ATOM 0 HB THR A 25 -8.359 6.797 -6.190 1.00 54.34 H new ATOM 0 HG1 THR A 25 -9.244 5.545 -7.961 1.00 34.32 H new ATOM 0 HG21 THR A 25 -7.070 6.509 -8.249 1.00 43.42 H new ATOM 0 HG22 THR A 25 -6.024 6.557 -6.810 1.00 43.42 H new ATOM 0 HG23 THR A 25 -6.374 5.004 -7.604 1.00 43.42 H new ATOM 357 N VAL A 26 -7.290 2.905 -6.191 1.00 75.42 N ATOM 358 CA VAL A 26 -6.582 1.721 -6.624 1.00 61.02 C ATOM 359 C VAL A 26 -6.237 1.904 -8.105 1.00 11.12 C ATOM 360 O VAL A 26 -7.021 2.481 -8.860 1.00 63.45 O ATOM 361 CB VAL A 26 -7.457 0.500 -6.282 1.00 74.43 C ATOM 362 CG1 VAL A 26 -8.601 0.246 -7.268 1.00 0.34 C ATOM 363 CG2 VAL A 26 -6.602 -0.751 -6.151 1.00 60.31 C ATOM 0 H VAL A 26 -8.219 2.988 -6.603 1.00 75.42 H new ATOM 0 HA VAL A 26 -5.632 1.555 -6.116 1.00 61.02 H new ATOM 0 HB VAL A 26 -7.926 0.740 -5.328 1.00 74.43 H new ATOM 0 HG11 VAL A 26 -9.166 -0.631 -6.952 1.00 0.34 H new ATOM 0 HG12 VAL A 26 -9.261 1.113 -7.291 1.00 0.34 H new ATOM 0 HG13 VAL A 26 -8.192 0.075 -8.264 1.00 0.34 H new ATOM 0 HG21 VAL A 26 -7.238 -1.603 -5.909 1.00 60.31 H new ATOM 0 HG22 VAL A 26 -6.086 -0.939 -7.092 1.00 60.31 H new ATOM 0 HG23 VAL A 26 -5.869 -0.609 -5.357 1.00 60.31 H new ATOM 373 N ALA A 27 -5.066 1.425 -8.524 1.00 14.51 N ATOM 374 CA ALA A 27 -4.558 1.548 -9.891 1.00 3.21 C ATOM 375 C ALA A 27 -4.454 0.185 -10.590 1.00 42.25 C ATOM 376 O ALA A 27 -4.081 0.082 -11.758 1.00 32.14 O ATOM 377 CB ALA A 27 -3.193 2.237 -9.838 1.00 41.52 C ATOM 0 H ALA A 27 -4.426 0.927 -7.905 1.00 14.51 H new ATOM 0 HA ALA A 27 -5.258 2.143 -10.477 1.00 3.21 H new ATOM 0 HB1 ALA A 27 -2.797 2.338 -10.848 1.00 41.52 H new ATOM 0 HB2 ALA A 27 -3.301 3.225 -9.390 1.00 41.52 H new ATOM 0 HB3 ALA A 27 -2.507 1.640 -9.238 1.00 41.52 H new ATOM 383 N ARG A 28 -4.759 -0.892 -9.869 1.00 43.53 N ATOM 384 CA ARG A 28 -4.601 -2.280 -10.317 1.00 62.45 C ATOM 385 C ARG A 28 -5.679 -3.117 -9.640 1.00 1.42 C ATOM 386 O ARG A 28 -6.176 -2.706 -8.592 1.00 64.42 O ATOM 387 CB ARG A 28 -3.195 -2.764 -9.936 1.00 53.41 C ATOM 388 CG ARG A 28 -2.576 -3.883 -10.783 1.00 54.14 C ATOM 389 CD ARG A 28 -1.676 -3.343 -11.900 1.00 41.31 C ATOM 390 NE ARG A 28 -2.449 -2.825 -13.035 1.00 22.31 N ATOM 391 CZ ARG A 28 -2.678 -3.471 -14.188 1.00 74.33 C ATOM 392 NH1 ARG A 28 -2.340 -4.741 -14.385 1.00 54.15 N ATOM 393 NH2 ARG A 28 -3.266 -2.819 -15.176 1.00 3.31 N ATOM 0 H ARG A 28 -5.136 -0.823 -8.924 1.00 43.53 H new ATOM 0 HA ARG A 28 -4.710 -2.368 -11.398 1.00 62.45 H new ATOM 0 HB2 ARG A 28 -2.524 -1.906 -9.970 1.00 53.41 H new ATOM 0 HB3 ARG A 28 -3.226 -3.104 -8.901 1.00 53.41 H new ATOM 0 HG2 ARG A 28 -1.994 -4.543 -10.139 1.00 54.14 H new ATOM 0 HG3 ARG A 28 -3.372 -4.486 -11.221 1.00 54.14 H new ATOM 0 HD2 ARG A 28 -1.043 -2.550 -11.502 1.00 41.31 H new ATOM 0 HD3 ARG A 28 -1.014 -4.137 -12.246 1.00 41.31 H new ATOM 0 HE ARG A 28 -2.847 -1.891 -12.938 1.00 22.31 H new ATOM 0 HH11 ARG A 28 -1.885 -5.269 -13.640 1.00 54.15 H new ATOM 0 HH12 ARG A 28 -2.536 -5.188 -15.281 1.00 54.15 H new ATOM 0 HH21 ARG A 28 -3.536 -1.843 -15.053 1.00 3.31 H new ATOM 0 HH22 ARG A 28 -3.449 -3.292 -16.061 1.00 3.31 H new ATOM 404 N LYS A 29 -6.007 -4.291 -10.171 1.00 52.24 N ATOM 405 CA LYS A 29 -7.024 -5.165 -9.606 1.00 15.41 C ATOM 406 C LYS A 29 -6.477 -6.584 -9.644 1.00 11.51 C ATOM 407 O LYS A 29 -6.802 -7.353 -10.551 1.00 23.34 O ATOM 408 CB LYS A 29 -8.343 -4.981 -10.385 1.00 43.05 C ATOM 409 CG LYS A 29 -9.525 -5.751 -9.776 1.00 64.14 C ATOM 410 CD LYS A 29 -10.115 -5.101 -8.517 1.00 74.24 C ATOM 411 CE LYS A 29 -10.905 -3.809 -8.759 1.00 41.25 C ATOM 412 NZ LYS A 29 -11.986 -3.960 -9.757 1.00 12.31 N ATOM 0 H LYS A 29 -5.569 -4.664 -11.013 1.00 52.24 H new ATOM 0 HA LYS A 29 -7.254 -4.924 -8.568 1.00 15.41 H new ATOM 0 HB2 LYS A 29 -8.590 -3.920 -10.421 1.00 43.05 H new ATOM 0 HB3 LYS A 29 -8.197 -5.309 -11.414 1.00 43.05 H new ATOM 0 HG2 LYS A 29 -10.310 -5.843 -10.526 1.00 64.14 H new ATOM 0 HG3 LYS A 29 -9.199 -6.762 -9.531 1.00 64.14 H new ATOM 0 HD2 LYS A 29 -10.770 -5.822 -8.028 1.00 74.24 H new ATOM 0 HD3 LYS A 29 -9.302 -4.887 -7.823 1.00 74.24 H new ATOM 0 HE2 LYS A 29 -11.336 -3.473 -7.816 1.00 41.25 H new ATOM 0 HE3 LYS A 29 -10.220 -3.030 -9.092 1.00 41.25 H new ATOM 0 HZ1 LYS A 29 -12.575 -3.103 -9.763 1.00 12.31 H new ATOM 0 HZ2 LYS A 29 -11.571 -4.102 -10.700 1.00 12.31 H new ATOM 0 HZ3 LYS A 29 -12.574 -4.782 -9.510 1.00 12.31 H new ATOM 422 N GLY A 30 -5.651 -6.917 -8.654 1.00 21.12 N ATOM 423 CA GLY A 30 -5.132 -8.259 -8.474 1.00 53.15 C ATOM 424 C GLY A 30 -6.227 -9.214 -7.996 1.00 34.24 C ATOM 425 O GLY A 30 -7.422 -8.893 -8.032 1.00 72.03 O ATOM 0 H GLY A 30 -5.324 -6.253 -7.952 1.00 21.12 H new ATOM 0 HA2 GLY A 30 -4.715 -8.620 -9.414 1.00 53.15 H new ATOM 0 HA3 GLY A 30 -4.318 -8.243 -7.750 1.00 53.15 H new ATOM 429 N ASP A 31 -5.840 -10.410 -7.554 1.00 63.31 N ATOM 430 CA ASP A 31 -6.794 -11.387 -7.031 1.00 23.01 C ATOM 431 C ASP A 31 -7.437 -10.817 -5.763 1.00 15.11 C ATOM 432 O ASP A 31 -6.712 -10.382 -4.863 1.00 35.44 O ATOM 433 CB ASP A 31 -6.117 -12.713 -6.669 1.00 43.11 C ATOM 434 CG ASP A 31 -7.136 -13.831 -6.699 1.00 74.35 C ATOM 435 OD1 ASP A 31 -7.885 -13.964 -5.704 1.00 72.35 O ATOM 436 OD2 ASP A 31 -7.271 -14.521 -7.723 1.00 24.44 O ATOM 0 H ASP A 31 -4.870 -10.726 -7.548 1.00 63.31 H new ATOM 0 HA ASP A 31 -7.535 -11.579 -7.807 1.00 23.01 H new ATOM 0 HB2 ASP A 31 -5.311 -12.924 -7.371 1.00 43.11 H new ATOM 0 HB3 ASP A 31 -5.667 -12.644 -5.678 1.00 43.11 H new ATOM 440 N ALA A 32 -8.767 -10.793 -5.646 1.00 74.22 N ATOM 441 CA ALA A 32 -9.407 -10.266 -4.439 1.00 52.11 C ATOM 442 C ALA A 32 -9.243 -11.178 -3.221 1.00 51.31 C ATOM 443 O ALA A 32 -9.548 -10.749 -2.105 1.00 42.54 O ATOM 444 CB ALA A 32 -10.887 -10.001 -4.693 1.00 54.51 C ATOM 0 H ALA A 32 -9.413 -11.127 -6.361 1.00 74.22 H new ATOM 0 HA ALA A 32 -8.897 -9.331 -4.206 1.00 52.11 H new ATOM 0 HB1 ALA A 32 -11.347 -9.610 -3.786 1.00 54.51 H new ATOM 0 HB2 ALA A 32 -10.993 -9.273 -5.497 1.00 54.51 H new ATOM 0 HB3 ALA A 32 -11.379 -10.931 -4.978 1.00 54.51 H new ATOM 450 N ARG A 33 -8.787 -12.418 -3.409 1.00 22.22 N ATOM 451 CA ARG A 33 -8.535 -13.378 -2.343 1.00 53.33 C ATOM 452 C ARG A 33 -7.036 -13.578 -2.165 1.00 51.54 C ATOM 453 O ARG A 33 -6.566 -13.586 -1.030 1.00 0.10 O ATOM 454 CB ARG A 33 -9.245 -14.711 -2.646 1.00 4.40 C ATOM 455 CG ARG A 33 -10.778 -14.639 -2.520 1.00 13.41 C ATOM 456 CD ARG A 33 -11.537 -14.329 -3.819 1.00 71.12 C ATOM 457 NE ARG A 33 -11.616 -15.487 -4.731 1.00 42.14 N ATOM 458 CZ ARG A 33 -12.449 -15.605 -5.778 1.00 41.13 C ATOM 459 NH1 ARG A 33 -13.355 -14.664 -6.035 1.00 20.13 N ATOM 460 NH2 ARG A 33 -12.402 -16.674 -6.564 1.00 32.34 N ATOM 0 H ARG A 33 -8.578 -12.789 -4.336 1.00 22.22 H new ATOM 0 HA ARG A 33 -8.939 -12.989 -1.408 1.00 53.33 H new ATOM 0 HB2 ARG A 33 -8.987 -15.028 -3.656 1.00 4.40 H new ATOM 0 HB3 ARG A 33 -8.869 -15.475 -1.966 1.00 4.40 H new ATOM 0 HG2 ARG A 33 -11.138 -15.591 -2.129 1.00 13.41 H new ATOM 0 HG3 ARG A 33 -11.029 -13.876 -1.783 1.00 13.41 H new ATOM 0 HD2 ARG A 33 -12.546 -13.997 -3.574 1.00 71.12 H new ATOM 0 HD3 ARG A 33 -11.046 -13.502 -4.332 1.00 71.12 H new ATOM 0 HE ARG A 33 -10.983 -16.266 -4.550 1.00 42.14 H new ATOM 0 HH11 ARG A 33 -13.422 -13.843 -5.434 1.00 20.13 H new ATOM 0 HH12 ARG A 33 -13.982 -14.764 -6.833 1.00 20.13 H new ATOM 0 HH21 ARG A 33 -11.728 -17.416 -6.376 1.00 32.34 H new ATOM 0 HH22 ARG A 33 -13.040 -16.753 -7.356 1.00 32.34 H new ATOM 471 N ALA A 34 -6.287 -13.731 -3.258 1.00 13.40 N ATOM 472 CA ALA A 34 -4.917 -14.240 -3.254 1.00 31.31 C ATOM 473 C ALA A 34 -3.903 -13.305 -3.915 1.00 11.54 C ATOM 474 O ALA A 34 -2.840 -13.761 -4.344 1.00 32.31 O ATOM 475 CB ALA A 34 -4.903 -15.649 -3.862 1.00 61.33 C ATOM 0 H ALA A 34 -6.625 -13.499 -4.192 1.00 13.40 H new ATOM 0 HA ALA A 34 -4.586 -14.292 -2.217 1.00 31.31 H new ATOM 0 HB1 ALA A 34 -3.884 -16.035 -3.862 1.00 61.33 H new ATOM 0 HB2 ALA A 34 -5.540 -16.307 -3.271 1.00 61.33 H new ATOM 0 HB3 ALA A 34 -5.275 -15.607 -4.886 1.00 61.33 H new ATOM 481 N GLY A 35 -4.231 -12.022 -4.041 1.00 53.41 N ATOM 482 CA GLY A 35 -3.439 -11.058 -4.775 1.00 41.34 C ATOM 483 C GLY A 35 -2.601 -10.330 -3.745 1.00 64.41 C ATOM 484 O GLY A 35 -3.140 -9.845 -2.747 1.00 42.22 O ATOM 0 H GLY A 35 -5.072 -11.622 -3.625 1.00 53.41 H new ATOM 0 HA2 GLY A 35 -2.807 -11.554 -5.512 1.00 41.34 H new ATOM 0 HA3 GLY A 35 -4.078 -10.363 -5.319 1.00 41.34 H new ATOM 488 N ALA A 36 -1.296 -10.291 -3.982 1.00 24.42 N ATOM 489 CA ALA A 36 -0.372 -9.470 -3.209 1.00 24.13 C ATOM 490 C ALA A 36 -0.670 -7.995 -3.483 1.00 51.44 C ATOM 491 O ALA A 36 -1.408 -7.678 -4.412 1.00 55.14 O ATOM 492 CB ALA A 36 1.061 -9.832 -3.600 1.00 11.43 C ATOM 0 H ALA A 36 -0.846 -10.831 -4.721 1.00 24.42 H new ATOM 0 HA ALA A 36 -0.492 -9.652 -2.141 1.00 24.13 H new ATOM 0 HB1 ALA A 36 1.760 -9.223 -3.027 1.00 11.43 H new ATOM 0 HB2 ALA A 36 1.241 -10.886 -3.388 1.00 11.43 H new ATOM 0 HB3 ALA A 36 1.206 -9.646 -4.664 1.00 11.43 H new ATOM 498 N VAL A 37 -0.094 -7.063 -2.725 1.00 41.33 N ATOM 499 CA VAL A 37 -0.407 -5.649 -2.792 1.00 13.31 C ATOM 500 C VAL A 37 0.855 -4.816 -2.616 1.00 12.40 C ATOM 501 O VAL A 37 1.737 -5.191 -1.844 1.00 73.14 O ATOM 502 CB VAL A 37 -1.468 -5.321 -1.711 1.00 74.05 C ATOM 503 CG1 VAL A 37 -1.956 -6.488 -0.839 1.00 55.45 C ATOM 504 CG2 VAL A 37 -1.480 -3.848 -1.260 1.00 33.14 C ATOM 0 H VAL A 37 0.621 -7.283 -2.032 1.00 41.33 H new ATOM 0 HA VAL A 37 -0.818 -5.402 -3.771 1.00 13.31 H new ATOM 0 HB VAL A 37 -2.460 -5.279 -2.161 1.00 74.05 H new ATOM 0 HG11 VAL A 37 -2.695 -6.124 -0.125 1.00 55.45 H new ATOM 0 HG12 VAL A 37 -2.408 -7.251 -1.472 1.00 55.45 H new ATOM 0 HG13 VAL A 37 -1.111 -6.918 -0.300 1.00 55.45 H new ATOM 0 HG21 VAL A 37 -2.251 -3.706 -0.503 1.00 33.14 H new ATOM 0 HG22 VAL A 37 -0.508 -3.588 -0.841 1.00 33.14 H new ATOM 0 HG23 VAL A 37 -1.689 -3.207 -2.116 1.00 33.14 H new ATOM 514 N LEU A 38 0.876 -3.639 -3.246 1.00 52.21 N ATOM 515 CA LEU A 38 1.652 -2.480 -2.834 1.00 20.02 C ATOM 516 C LEU A 38 0.691 -1.402 -2.368 1.00 64.13 C ATOM 517 O LEU A 38 -0.308 -1.129 -3.037 1.00 44.23 O ATOM 518 CB LEU A 38 2.468 -1.907 -4.001 1.00 1.14 C ATOM 519 CG LEU A 38 3.556 -2.846 -4.524 1.00 3.21 C ATOM 520 CD1 LEU A 38 4.313 -2.169 -5.660 1.00 11.24 C ATOM 521 CD2 LEU A 38 4.581 -3.222 -3.466 1.00 55.41 C ATOM 0 H LEU A 38 0.329 -3.467 -4.090 1.00 52.21 H new ATOM 0 HA LEU A 38 2.335 -2.788 -2.042 1.00 20.02 H new ATOM 0 HB2 LEU A 38 1.790 -1.663 -4.819 1.00 1.14 H new ATOM 0 HB3 LEU A 38 2.932 -0.973 -3.682 1.00 1.14 H new ATOM 0 HG LEU A 38 3.043 -3.751 -4.850 1.00 3.21 H new ATOM 0 HD11 LEU A 38 5.088 -2.840 -6.031 1.00 11.24 H new ATOM 0 HD12 LEU A 38 3.621 -1.932 -6.468 1.00 11.24 H new ATOM 0 HD13 LEU A 38 4.773 -1.251 -5.295 1.00 11.24 H new ATOM 0 HD21 LEU A 38 5.325 -3.889 -3.901 1.00 55.41 H new ATOM 0 HD22 LEU A 38 5.072 -2.321 -3.099 1.00 55.41 H new ATOM 0 HD23 LEU A 38 4.082 -3.726 -2.638 1.00 55.41 H new ATOM 532 N VAL A 39 1.036 -0.747 -1.265 1.00 62.05 N ATOM 533 CA VAL A 39 0.380 0.480 -0.827 1.00 34.23 C ATOM 534 C VAL A 39 1.471 1.537 -0.822 1.00 73.02 C ATOM 535 O VAL A 39 2.472 1.380 -0.127 1.00 13.12 O ATOM 536 CB VAL A 39 -0.301 0.331 0.551 1.00 74.45 C ATOM 537 CG1 VAL A 39 -1.101 1.598 0.900 1.00 24.32 C ATOM 538 CG2 VAL A 39 -1.246 -0.875 0.604 1.00 31.02 C ATOM 0 H VAL A 39 1.785 -1.055 -0.645 1.00 62.05 H new ATOM 0 HA VAL A 39 -0.437 0.752 -1.496 1.00 34.23 H new ATOM 0 HB VAL A 39 0.498 0.178 1.276 1.00 74.45 H new ATOM 0 HG11 VAL A 39 -1.573 1.473 1.874 1.00 24.32 H new ATOM 0 HG12 VAL A 39 -0.429 2.456 0.930 1.00 24.32 H new ATOM 0 HG13 VAL A 39 -1.868 1.764 0.144 1.00 24.32 H new ATOM 0 HG21 VAL A 39 -1.701 -0.938 1.593 1.00 31.02 H new ATOM 0 HG22 VAL A 39 -2.027 -0.759 -0.148 1.00 31.02 H new ATOM 0 HG23 VAL A 39 -0.683 -1.787 0.405 1.00 31.02 H new ATOM 548 N LYS A 40 1.323 2.595 -1.607 1.00 14.34 N ATOM 549 CA LYS A 40 2.248 3.718 -1.595 1.00 34.12 C ATOM 550 C LYS A 40 1.504 4.880 -0.937 1.00 41.25 C ATOM 551 O LYS A 40 0.324 5.088 -1.219 1.00 21.02 O ATOM 552 CB LYS A 40 2.698 3.979 -3.038 1.00 34.04 C ATOM 553 CG LYS A 40 3.568 5.237 -3.165 1.00 63.05 C ATOM 554 CD LYS A 40 3.946 5.504 -4.626 1.00 75.12 C ATOM 555 CE LYS A 40 4.099 7.012 -4.828 1.00 14.23 C ATOM 556 NZ LYS A 40 3.870 7.425 -6.229 1.00 63.21 N ATOM 0 H LYS A 40 0.556 2.698 -2.271 1.00 14.34 H new ATOM 0 HA LYS A 40 3.160 3.544 -1.024 1.00 34.12 H new ATOM 0 HB2 LYS A 40 3.257 3.117 -3.402 1.00 34.04 H new ATOM 0 HB3 LYS A 40 1.820 4.083 -3.676 1.00 34.04 H new ATOM 0 HG2 LYS A 40 3.031 6.096 -2.763 1.00 63.05 H new ATOM 0 HG3 LYS A 40 4.472 5.119 -2.568 1.00 63.05 H new ATOM 0 HD2 LYS A 40 4.877 4.994 -4.874 1.00 75.12 H new ATOM 0 HD3 LYS A 40 3.179 5.110 -5.292 1.00 75.12 H new ATOM 0 HE2 LYS A 40 3.396 7.535 -4.180 1.00 14.23 H new ATOM 0 HE3 LYS A 40 5.100 7.316 -4.523 1.00 14.23 H new ATOM 0 HZ1 LYS A 40 4.149 8.420 -6.348 1.00 63.21 H new ATOM 0 HZ2 LYS A 40 4.437 6.828 -6.864 1.00 63.21 H new ATOM 0 HZ3 LYS A 40 2.862 7.318 -6.462 1.00 63.21 H new ATOM 566 N ALA A 41 2.174 5.598 -0.036 1.00 20.01 N ATOM 567 CA ALA A 41 1.631 6.704 0.739 1.00 20.41 C ATOM 568 C ALA A 41 2.619 7.867 0.599 1.00 2.22 C ATOM 569 O ALA A 41 3.747 7.756 1.083 1.00 14.31 O ATOM 570 CB ALA A 41 1.425 6.270 2.204 1.00 75.35 C ATOM 0 H ALA A 41 3.154 5.413 0.180 1.00 20.01 H new ATOM 0 HA ALA A 41 0.651 7.017 0.377 1.00 20.41 H new ATOM 0 HB1 ALA A 41 1.018 7.104 2.777 1.00 75.35 H new ATOM 0 HB2 ALA A 41 0.730 5.431 2.241 1.00 75.35 H new ATOM 0 HB3 ALA A 41 2.381 5.968 2.632 1.00 75.35 H new ATOM 576 N VAL A 42 2.252 8.930 -0.123 1.00 74.32 N ATOM 577 CA VAL A 42 3.151 10.069 -0.330 1.00 55.31 C ATOM 578 C VAL A 42 3.219 10.900 0.962 1.00 22.22 C ATOM 579 O VAL A 42 2.303 10.848 1.789 1.00 3.42 O ATOM 580 CB VAL A 42 2.670 10.918 -1.536 1.00 71.25 C ATOM 581 CG1 VAL A 42 1.613 11.970 -1.169 1.00 75.25 C ATOM 582 CG2 VAL A 42 3.833 11.597 -2.274 1.00 3.41 C ATOM 0 H VAL A 42 1.341 9.025 -0.573 1.00 74.32 H new ATOM 0 HA VAL A 42 4.155 9.714 -0.563 1.00 55.31 H new ATOM 0 HB VAL A 42 2.198 10.196 -2.203 1.00 71.25 H new ATOM 0 HG11 VAL A 42 1.326 12.524 -2.063 1.00 75.25 H new ATOM 0 HG12 VAL A 42 0.736 11.475 -0.751 1.00 75.25 H new ATOM 0 HG13 VAL A 42 2.026 12.659 -0.432 1.00 75.25 H new ATOM 0 HG21 VAL A 42 3.444 12.179 -3.109 1.00 3.41 H new ATOM 0 HG22 VAL A 42 4.363 12.257 -1.588 1.00 3.41 H new ATOM 0 HG23 VAL A 42 4.519 10.837 -2.649 1.00 3.41 H new ATOM 592 N ASP A 43 4.223 11.768 1.076 1.00 75.45 N ATOM 593 CA ASP A 43 4.241 12.871 2.027 1.00 32.10 C ATOM 594 C ASP A 43 4.606 14.175 1.312 1.00 1.50 C ATOM 595 O ASP A 43 5.767 14.580 1.236 1.00 75.11 O ATOM 596 CB ASP A 43 5.198 12.592 3.190 1.00 31.42 C ATOM 597 CG ASP A 43 5.008 13.607 4.318 1.00 31.20 C ATOM 598 OD1 ASP A 43 4.469 14.705 4.066 1.00 40.55 O ATOM 599 OD2 ASP A 43 5.299 13.260 5.483 1.00 64.35 O ATOM 0 H ASP A 43 5.062 11.721 0.497 1.00 75.45 H new ATOM 0 HA ASP A 43 3.242 12.974 2.450 1.00 32.10 H new ATOM 0 HB2 ASP A 43 5.028 11.585 3.571 1.00 31.42 H new ATOM 0 HB3 ASP A 43 6.228 12.628 2.834 1.00 31.42 H new ATOM 603 N ARG A 44 3.593 14.870 0.787 1.00 20.22 N ATOM 604 CA ARG A 44 3.790 16.209 0.223 1.00 22.13 C ATOM 605 C ARG A 44 4.286 17.204 1.274 1.00 24.02 C ATOM 606 O ARG A 44 4.980 18.156 0.925 1.00 31.20 O ATOM 607 CB ARG A 44 2.473 16.711 -0.383 1.00 72.01 C ATOM 608 CG ARG A 44 2.170 16.051 -1.736 1.00 31.13 C ATOM 609 CD ARG A 44 3.039 16.596 -2.868 1.00 1.14 C ATOM 610 NE ARG A 44 2.714 17.994 -3.180 1.00 61.34 N ATOM 611 CZ ARG A 44 3.303 18.763 -4.098 1.00 62.12 C ATOM 612 NH1 ARG A 44 4.259 18.287 -4.889 1.00 22.00 N ATOM 613 NH2 ARG A 44 2.910 20.024 -4.216 1.00 31.42 N ATOM 0 H ARG A 44 2.632 14.530 0.741 1.00 20.22 H new ATOM 0 HA ARG A 44 4.554 16.135 -0.551 1.00 22.13 H new ATOM 0 HB2 ARG A 44 1.656 16.509 0.309 1.00 72.01 H new ATOM 0 HB3 ARG A 44 2.522 17.792 -0.511 1.00 72.01 H new ATOM 0 HG2 ARG A 44 2.323 14.975 -1.653 1.00 31.13 H new ATOM 0 HG3 ARG A 44 1.120 16.206 -1.984 1.00 31.13 H new ATOM 0 HD2 ARG A 44 4.090 16.521 -2.588 1.00 1.14 H new ATOM 0 HD3 ARG A 44 2.902 15.983 -3.759 1.00 1.14 H new ATOM 0 HE ARG A 44 1.961 18.421 -2.640 1.00 61.34 H new ATOM 0 HH11 ARG A 44 4.557 17.315 -4.801 1.00 22.00 H new ATOM 0 HH12 ARG A 44 4.695 18.893 -5.584 1.00 22.00 H new ATOM 0 HH21 ARG A 44 2.172 20.387 -3.612 1.00 31.42 H new ATOM 0 HH22 ARG A 44 3.345 20.631 -4.910 1.00 31.42 H new ATOM 624 N ARG A 45 3.906 17.023 2.539 1.00 71.42 N ATOM 625 CA ARG A 45 4.237 17.939 3.622 1.00 42.53 C ATOM 626 C ARG A 45 5.736 18.009 3.865 1.00 51.51 C ATOM 627 O ARG A 45 6.215 19.062 4.292 1.00 41.35 O ATOM 628 CB ARG A 45 3.510 17.491 4.905 1.00 71.31 C ATOM 629 CG ARG A 45 2.796 18.682 5.537 1.00 51.40 C ATOM 630 CD ARG A 45 1.940 18.285 6.740 1.00 3.55 C ATOM 631 NE ARG A 45 1.137 19.444 7.156 1.00 41.50 N ATOM 632 CZ ARG A 45 0.149 19.478 8.051 1.00 33.15 C ATOM 633 NH1 ARG A 45 -0.332 18.365 8.578 1.00 15.22 N ATOM 634 NH2 ARG A 45 -0.369 20.643 8.433 1.00 20.21 N ATOM 0 H ARG A 45 3.351 16.222 2.841 1.00 71.42 H new ATOM 0 HA ARG A 45 3.908 18.939 3.337 1.00 42.53 H new ATOM 0 HB2 ARG A 45 2.791 16.706 4.671 1.00 71.31 H new ATOM 0 HB3 ARG A 45 4.225 17.068 5.610 1.00 71.31 H new ATOM 0 HG2 ARG A 45 3.535 19.420 5.850 1.00 51.40 H new ATOM 0 HG3 ARG A 45 2.164 19.161 4.789 1.00 51.40 H new ATOM 0 HD2 ARG A 45 1.290 17.449 6.481 1.00 3.55 H new ATOM 0 HD3 ARG A 45 2.575 17.952 7.561 1.00 3.55 H new ATOM 0 HE ARG A 45 1.363 20.330 6.705 1.00 41.50 H new ATOM 0 HH11 ARG A 45 0.053 17.462 8.301 1.00 15.22 H new ATOM 0 HH12 ARG A 45 -1.088 18.409 9.261 1.00 15.22 H new ATOM 0 HH21 ARG A 45 -0.010 21.514 8.041 1.00 20.21 H new ATOM 0 HH22 ARG A 45 -1.125 20.665 9.118 1.00 20.21 H new ATOM 645 N GLU A 46 6.467 16.926 3.613 1.00 75.25 N ATOM 646 CA GLU A 46 7.915 16.873 3.844 1.00 3.40 C ATOM 647 C GLU A 46 8.722 16.488 2.602 1.00 74.43 C ATOM 648 O GLU A 46 9.954 16.465 2.667 1.00 63.01 O ATOM 649 CB GLU A 46 8.246 15.988 5.055 1.00 62.11 C ATOM 650 CG GLU A 46 7.439 16.434 6.284 1.00 54.44 C ATOM 651 CD GLU A 46 7.978 15.989 7.642 1.00 14.23 C ATOM 652 OE1 GLU A 46 9.017 15.294 7.722 1.00 1.30 O ATOM 653 OE2 GLU A 46 7.353 16.370 8.665 1.00 12.32 O ATOM 0 H GLU A 46 6.076 16.059 3.243 1.00 75.25 H new ATOM 0 HA GLU A 46 8.229 17.891 4.076 1.00 3.40 H new ATOM 0 HB2 GLU A 46 8.022 14.947 4.824 1.00 62.11 H new ATOM 0 HB3 GLU A 46 9.313 16.044 5.273 1.00 62.11 H new ATOM 0 HG2 GLU A 46 7.380 17.522 6.279 1.00 54.44 H new ATOM 0 HG3 GLU A 46 6.421 16.059 6.180 1.00 54.44 H new ATOM 658 N GLY A 47 8.075 16.232 1.461 1.00 72.24 N ATOM 659 CA GLY A 47 8.754 15.807 0.241 1.00 61.41 C ATOM 660 C GLY A 47 9.328 14.397 0.384 1.00 53.25 C ATOM 661 O GLY A 47 10.249 14.017 -0.346 1.00 55.33 O ATOM 0 H GLY A 47 7.063 16.315 1.361 1.00 72.24 H new ATOM 0 HA2 GLY A 47 8.055 15.834 -0.595 1.00 61.41 H new ATOM 0 HA3 GLY A 47 9.557 16.506 0.007 1.00 61.41 H new ATOM 665 N THR A 48 8.812 13.620 1.335 1.00 53.21 N ATOM 666 CA THR A 48 9.147 12.222 1.504 1.00 53.54 C ATOM 667 C THR A 48 8.033 11.404 0.848 1.00 14.33 C ATOM 668 O THR A 48 6.995 11.938 0.442 1.00 24.03 O ATOM 669 CB THR A 48 9.430 11.928 2.995 1.00 12.32 C ATOM 670 OG1 THR A 48 8.394 12.311 3.874 1.00 31.11 O ATOM 671 CG2 THR A 48 10.668 12.693 3.467 1.00 75.12 C ATOM 0 H THR A 48 8.136 13.959 2.020 1.00 53.21 H new ATOM 0 HA THR A 48 10.072 11.935 1.005 1.00 53.54 H new ATOM 0 HB THR A 48 9.551 10.845 3.033 1.00 12.32 H new ATOM 0 HG1 THR A 48 8.648 12.091 4.795 1.00 31.11 H new ATOM 0 HG21 THR A 48 10.852 12.474 4.519 1.00 75.12 H new ATOM 0 HG22 THR A 48 11.532 12.388 2.876 1.00 75.12 H new ATOM 0 HG23 THR A 48 10.504 13.763 3.343 1.00 75.12 H new ATOM 679 N ALA A 49 8.241 10.110 0.667 1.00 71.24 N ATOM 680 CA ALA A 49 7.204 9.195 0.236 1.00 53.12 C ATOM 681 C ALA A 49 7.546 7.846 0.844 1.00 15.40 C ATOM 682 O ALA A 49 8.703 7.575 1.188 1.00 24.13 O ATOM 683 CB ALA A 49 7.120 9.160 -1.298 1.00 33.43 C ATOM 0 H ALA A 49 9.146 9.663 0.818 1.00 71.24 H new ATOM 0 HA ALA A 49 6.215 9.507 0.571 1.00 53.12 H new ATOM 0 HB1 ALA A 49 6.336 8.467 -1.604 1.00 33.43 H new ATOM 0 HB2 ALA A 49 6.890 10.157 -1.673 1.00 33.43 H new ATOM 0 HB3 ALA A 49 8.075 8.830 -1.707 1.00 33.43 H new ATOM 689 N ARG A 50 6.535 7.002 1.007 1.00 55.22 N ATOM 690 CA ARG A 50 6.660 5.680 1.603 1.00 75.14 C ATOM 691 C ARG A 50 6.026 4.721 0.636 1.00 55.11 C ATOM 692 O ARG A 50 5.003 5.021 0.016 1.00 40.45 O ATOM 693 CB ARG A 50 5.966 5.596 2.972 1.00 22.11 C ATOM 694 CG ARG A 50 6.644 6.500 4.003 1.00 64.44 C ATOM 695 CD ARG A 50 7.736 5.814 4.826 1.00 41.24 C ATOM 696 NE ARG A 50 8.716 6.810 5.286 1.00 32.20 N ATOM 697 CZ ARG A 50 8.661 7.547 6.398 1.00 53.13 C ATOM 698 NH1 ARG A 50 7.768 7.292 7.345 1.00 51.35 N ATOM 699 NH2 ARG A 50 9.511 8.554 6.576 1.00 75.11 N ATOM 0 H ARG A 50 5.582 7.225 0.721 1.00 55.22 H new ATOM 0 HA ARG A 50 7.709 5.445 1.781 1.00 75.14 H new ATOM 0 HB2 ARG A 50 4.919 5.882 2.868 1.00 22.11 H new ATOM 0 HB3 ARG A 50 5.981 4.565 3.325 1.00 22.11 H new ATOM 0 HG2 ARG A 50 7.079 7.356 3.487 1.00 64.44 H new ATOM 0 HG3 ARG A 50 5.885 6.889 4.682 1.00 64.44 H new ATOM 0 HD2 ARG A 50 7.293 5.305 5.682 1.00 41.24 H new ATOM 0 HD3 ARG A 50 8.233 5.053 4.224 1.00 41.24 H new ATOM 0 HE ARG A 50 9.530 6.954 4.688 1.00 32.20 H new ATOM 0 HH11 ARG A 50 7.109 6.522 7.230 1.00 51.35 H new ATOM 0 HH12 ARG A 50 7.741 7.866 8.188 1.00 51.35 H new ATOM 0 HH21 ARG A 50 10.208 8.765 5.862 1.00 75.11 H new ATOM 0 HH22 ARG A 50 9.466 9.115 7.427 1.00 75.11 H new ATOM 710 N LEU A 51 6.634 3.556 0.542 1.00 62.23 N ATOM 711 CA LEU A 51 6.168 2.500 -0.342 1.00 42.15 C ATOM 712 C LEU A 51 6.209 1.227 0.470 1.00 2.24 C ATOM 713 O LEU A 51 7.249 0.870 1.026 1.00 31.42 O ATOM 714 CB LEU A 51 6.987 2.428 -1.642 1.00 55.34 C ATOM 715 CG LEU A 51 6.118 2.152 -2.882 1.00 51.42 C ATOM 716 CD1 LEU A 51 6.966 2.258 -4.134 1.00 61.43 C ATOM 717 CD2 LEU A 51 5.503 0.758 -2.962 1.00 75.44 C ATOM 0 H LEU A 51 7.468 3.311 1.077 1.00 62.23 H new ATOM 0 HA LEU A 51 5.152 2.688 -0.689 1.00 42.15 H new ATOM 0 HB2 LEU A 51 7.522 3.367 -1.781 1.00 55.34 H new ATOM 0 HB3 LEU A 51 7.739 1.644 -1.549 1.00 55.34 H new ATOM 0 HG LEU A 51 5.319 2.889 -2.801 1.00 51.42 H new ATOM 0 HD11 LEU A 51 6.348 2.062 -5.010 1.00 61.43 H new ATOM 0 HD12 LEU A 51 7.387 3.261 -4.204 1.00 61.43 H new ATOM 0 HD13 LEU A 51 7.774 1.527 -4.089 1.00 61.43 H new ATOM 0 HD21 LEU A 51 4.912 0.673 -3.874 1.00 75.44 H new ATOM 0 HD22 LEU A 51 6.296 0.010 -2.973 1.00 75.44 H new ATOM 0 HD23 LEU A 51 4.861 0.593 -2.097 1.00 75.44 H new ATOM 728 N PHE A 52 5.037 0.625 0.620 1.00 31.00 N ATOM 729 CA PHE A 52 4.842 -0.578 1.400 1.00 51.44 C ATOM 730 C PHE A 52 4.572 -1.748 0.477 1.00 24.32 C ATOM 731 O PHE A 52 4.071 -1.589 -0.639 1.00 1.14 O ATOM 732 CB PHE A 52 3.680 -0.399 2.379 1.00 72.05 C ATOM 733 CG PHE A 52 3.825 0.819 3.262 1.00 75.33 C ATOM 734 CD1 PHE A 52 4.878 0.878 4.192 1.00 52.52 C ATOM 735 CD2 PHE A 52 2.959 1.918 3.110 1.00 42.45 C ATOM 736 CE1 PHE A 52 5.064 2.038 4.959 1.00 55.51 C ATOM 737 CE2 PHE A 52 3.147 3.071 3.888 1.00 4.53 C ATOM 738 CZ PHE A 52 4.196 3.131 4.819 1.00 75.21 C ATOM 0 H PHE A 52 4.179 0.972 0.191 1.00 31.00 H new ATOM 0 HA PHE A 52 5.747 -0.776 1.974 1.00 51.44 H new ATOM 0 HB2 PHE A 52 2.749 -0.323 1.817 1.00 72.05 H new ATOM 0 HB3 PHE A 52 3.602 -1.287 3.006 1.00 72.05 H new ATOM 0 HD1 PHE A 52 5.541 0.034 4.315 1.00 52.52 H new ATOM 0 HD2 PHE A 52 2.150 1.874 2.395 1.00 42.45 H new ATOM 0 HE1 PHE A 52 5.882 2.090 5.663 1.00 55.51 H new ATOM 0 HE2 PHE A 52 2.483 3.914 3.770 1.00 4.53 H new ATOM 0 HZ PHE A 52 4.334 4.015 5.425 1.00 75.21 H new ATOM 747 N SER A 53 4.865 -2.938 0.975 1.00 71.23 N ATOM 748 CA SER A 53 4.690 -4.210 0.311 1.00 22.21 C ATOM 749 C SER A 53 4.119 -5.173 1.326 1.00 73.15 C ATOM 750 O SER A 53 4.405 -5.055 2.520 1.00 14.22 O ATOM 751 CB SER A 53 6.056 -4.702 -0.164 1.00 23.32 C ATOM 752 OG SER A 53 6.237 -4.536 -1.540 1.00 31.00 O ATOM 0 H SER A 53 5.255 -3.043 1.912 1.00 71.23 H new ATOM 0 HA SER A 53 4.023 -4.127 -0.547 1.00 22.21 H new ATOM 0 HB2 SER A 53 6.838 -4.162 0.370 1.00 23.32 H new ATOM 0 HB3 SER A 53 6.167 -5.756 0.089 1.00 23.32 H new ATOM 0 HG SER A 53 6.953 -5.129 -1.850 1.00 31.00 H new ATOM 757 N GLU A 54 3.302 -6.105 0.858 1.00 63.42 N ATOM 758 CA GLU A 54 2.770 -7.134 1.724 1.00 73.21 C ATOM 759 C GLU A 54 3.885 -8.130 2.068 1.00 41.35 C ATOM 760 O GLU A 54 4.965 -8.151 1.455 1.00 63.22 O ATOM 761 CB GLU A 54 1.500 -7.736 1.103 1.00 21.01 C ATOM 762 CG GLU A 54 1.708 -8.904 0.124 1.00 12.43 C ATOM 763 CD GLU A 54 1.129 -10.222 0.655 1.00 41.35 C ATOM 764 OE1 GLU A 54 1.228 -10.499 1.870 1.00 22.33 O ATOM 765 OE2 GLU A 54 0.487 -10.961 -0.124 1.00 3.51 O ATOM 0 H GLU A 54 2.997 -6.166 -0.113 1.00 63.42 H new ATOM 0 HA GLU A 54 2.441 -6.729 2.681 1.00 73.21 H new ATOM 0 HB2 GLU A 54 0.853 -8.078 1.911 1.00 21.01 H new ATOM 0 HB3 GLU A 54 0.965 -6.943 0.581 1.00 21.01 H new ATOM 0 HG2 GLU A 54 1.239 -8.663 -0.830 1.00 12.43 H new ATOM 0 HG3 GLU A 54 2.774 -9.029 -0.067 1.00 12.43 H new ATOM 770 N ALA A 55 3.626 -8.938 3.084 1.00 31.04 N ATOM 771 CA ALA A 55 4.466 -10.014 3.554 1.00 42.11 C ATOM 772 C ALA A 55 3.631 -10.840 4.519 1.00 61.34 C ATOM 773 O ALA A 55 2.713 -10.302 5.140 1.00 52.25 O ATOM 774 CB ALA A 55 5.671 -9.419 4.289 1.00 4.20 C ATOM 0 H ALA A 55 2.770 -8.850 3.632 1.00 31.04 H new ATOM 0 HA ALA A 55 4.826 -10.630 2.730 1.00 42.11 H new ATOM 0 HB1 ALA A 55 6.312 -10.224 4.648 1.00 4.20 H new ATOM 0 HB2 ALA A 55 6.235 -8.783 3.607 1.00 4.20 H new ATOM 0 HB3 ALA A 55 5.324 -8.826 5.135 1.00 4.20 H new ATOM 780 N THR A 56 4.004 -12.099 4.729 1.00 12.24 N ATOM 781 CA THR A 56 3.454 -12.949 5.770 1.00 14.11 C ATOM 782 C THR A 56 4.613 -13.561 6.536 1.00 13.34 C ATOM 783 O THR A 56 5.602 -13.997 5.944 1.00 2.30 O ATOM 784 CB THR A 56 2.488 -14.009 5.208 1.00 11.41 C ATOM 785 OG1 THR A 56 2.831 -14.510 3.926 1.00 21.10 O ATOM 786 CG2 THR A 56 1.080 -13.427 5.130 1.00 3.22 C ATOM 0 H THR A 56 4.715 -12.564 4.164 1.00 12.24 H new ATOM 0 HA THR A 56 2.847 -12.352 6.451 1.00 14.11 H new ATOM 0 HB THR A 56 2.551 -14.849 5.900 1.00 11.41 H new ATOM 0 HG1 THR A 56 2.169 -15.176 3.647 1.00 21.10 H new ATOM 0 HG21 THR A 56 0.397 -14.178 4.732 1.00 3.22 H new ATOM 0 HG22 THR A 56 0.753 -13.131 6.127 1.00 3.22 H new ATOM 0 HG23 THR A 56 1.082 -12.556 4.475 1.00 3.22 H new ATOM 794 N ARG A 57 4.514 -13.518 7.865 1.00 34.02 N ATOM 795 CA ARG A 57 5.518 -14.110 8.737 1.00 75.33 C ATOM 796 C ARG A 57 5.370 -15.622 8.733 1.00 32.44 C ATOM 797 O ARG A 57 4.392 -16.153 8.206 1.00 43.32 O ATOM 798 CB ARG A 57 5.402 -13.519 10.153 1.00 12.34 C ATOM 799 CG ARG A 57 5.721 -12.022 10.109 1.00 13.31 C ATOM 800 CD ARG A 57 5.770 -11.382 11.488 1.00 14.51 C ATOM 801 NE ARG A 57 4.503 -10.723 11.845 1.00 74.34 N ATOM 802 CZ ARG A 57 4.262 -10.192 13.048 1.00 52.54 C ATOM 803 NH1 ARG A 57 5.211 -10.167 13.977 1.00 52.24 N ATOM 804 NH2 ARG A 57 3.073 -9.680 13.325 1.00 31.22 N ATOM 0 H ARG A 57 3.740 -13.075 8.360 1.00 34.02 H new ATOM 0 HA ARG A 57 6.516 -13.873 8.368 1.00 75.33 H new ATOM 0 HB2 ARG A 57 4.396 -13.676 10.543 1.00 12.34 H new ATOM 0 HB3 ARG A 57 6.089 -14.028 10.829 1.00 12.34 H new ATOM 0 HG2 ARG A 57 6.680 -11.875 9.613 1.00 13.31 H new ATOM 0 HG3 ARG A 57 4.969 -11.514 9.506 1.00 13.31 H new ATOM 0 HD2 ARG A 57 6.002 -12.144 12.232 1.00 14.51 H new ATOM 0 HD3 ARG A 57 6.578 -10.651 11.518 1.00 14.51 H new ATOM 0 HE ARG A 57 3.770 -10.669 11.137 1.00 74.34 H new ATOM 0 HH11 ARG A 57 6.133 -10.555 13.775 1.00 52.24 H new ATOM 0 HH12 ARG A 57 5.018 -9.760 14.892 1.00 52.24 H new ATOM 0 HH21 ARG A 57 2.337 -9.690 12.619 1.00 31.22 H new ATOM 0 HH22 ARG A 57 2.893 -9.276 14.244 1.00 31.22 H new ATOM 815 N GLY A 58 6.259 -16.305 9.449 1.00 15.41 N ATOM 816 CA GLY A 58 6.244 -17.740 9.667 1.00 23.13 C ATOM 817 C GLY A 58 4.979 -18.292 10.318 1.00 31.11 C ATOM 818 O GLY A 58 4.936 -19.502 10.528 1.00 23.03 O ATOM 0 H GLY A 58 7.044 -15.847 9.913 1.00 15.41 H new ATOM 0 HA2 GLY A 58 6.385 -18.237 8.707 1.00 23.13 H new ATOM 0 HA3 GLY A 58 7.098 -18.004 10.291 1.00 23.13 H new ATOM 822 N ASP A 59 3.978 -17.476 10.665 1.00 53.51 N ATOM 823 CA ASP A 59 2.661 -17.969 11.075 1.00 0.23 C ATOM 824 C ASP A 59 1.525 -17.442 10.178 1.00 40.11 C ATOM 825 O ASP A 59 0.374 -17.341 10.602 1.00 13.53 O ATOM 826 CB ASP A 59 2.428 -17.737 12.573 1.00 55.21 C ATOM 827 CG ASP A 59 1.461 -18.785 13.126 1.00 22.22 C ATOM 828 OD1 ASP A 59 1.770 -19.995 12.994 1.00 14.10 O ATOM 829 OD2 ASP A 59 0.373 -18.455 13.645 1.00 22.13 O ATOM 0 H ASP A 59 4.058 -16.459 10.669 1.00 53.51 H new ATOM 0 HA ASP A 59 2.648 -19.049 10.926 1.00 0.23 H new ATOM 0 HB2 ASP A 59 3.376 -17.788 13.108 1.00 55.21 H new ATOM 0 HB3 ASP A 59 2.024 -16.738 12.735 1.00 55.21 H new ATOM 833 N GLY A 60 1.844 -17.032 8.943 1.00 44.11 N ATOM 834 CA GLY A 60 0.902 -16.428 8.001 1.00 34.31 C ATOM 835 C GLY A 60 0.469 -15.029 8.434 1.00 20.03 C ATOM 836 O GLY A 60 -0.492 -14.482 7.892 1.00 33.44 O ATOM 0 H GLY A 60 2.788 -17.115 8.566 1.00 44.11 H new ATOM 0 HA2 GLY A 60 1.362 -16.375 7.014 1.00 34.31 H new ATOM 0 HA3 GLY A 60 0.023 -17.066 7.909 1.00 34.31 H new ATOM 840 N GLU A 61 1.155 -14.457 9.425 1.00 60.25 N ATOM 841 CA GLU A 61 0.750 -13.244 10.109 1.00 62.25 C ATOM 842 C GLU A 61 1.174 -12.070 9.223 1.00 61.32 C ATOM 843 O GLU A 61 2.372 -11.789 9.119 1.00 32.40 O ATOM 844 CB GLU A 61 1.349 -13.252 11.526 1.00 55.44 C ATOM 845 CG GLU A 61 0.638 -12.280 12.472 1.00 42.13 C ATOM 846 CD GLU A 61 -0.707 -12.778 13.024 1.00 33.01 C ATOM 847 OE1 GLU A 61 -0.702 -13.611 13.958 1.00 14.21 O ATOM 848 OE2 GLU A 61 -1.769 -12.249 12.606 1.00 20.23 O ATOM 0 H GLU A 61 2.031 -14.842 9.778 1.00 60.25 H new ATOM 0 HA GLU A 61 -0.327 -13.159 10.256 1.00 62.25 H new ATOM 0 HB2 GLU A 61 1.290 -14.260 11.936 1.00 55.44 H new ATOM 0 HB3 GLU A 61 2.406 -12.992 11.471 1.00 55.44 H new ATOM 0 HG2 GLU A 61 1.300 -12.063 13.310 1.00 42.13 H new ATOM 0 HG3 GLU A 61 0.472 -11.340 11.946 1.00 42.13 H new ATOM 853 N ARG A 62 0.226 -11.490 8.477 1.00 32.12 N ATOM 854 CA ARG A 62 0.508 -10.513 7.422 1.00 31.11 C ATOM 855 C ARG A 62 0.924 -9.160 8.000 1.00 62.23 C ATOM 856 O ARG A 62 0.577 -8.833 9.137 1.00 42.33 O ATOM 857 CB ARG A 62 -0.698 -10.421 6.468 1.00 60.44 C ATOM 858 CG ARG A 62 -0.575 -9.343 5.378 1.00 12.30 C ATOM 859 CD ARG A 62 -1.606 -9.493 4.260 1.00 71.23 C ATOM 860 NE ARG A 62 -1.168 -10.459 3.234 1.00 60.45 N ATOM 861 CZ ARG A 62 -1.887 -11.434 2.677 1.00 32.40 C ATOM 862 NH1 ARG A 62 -3.089 -11.709 3.160 1.00 53.33 N ATOM 863 NH2 ARG A 62 -1.406 -12.124 1.653 1.00 53.21 N ATOM 0 H ARG A 62 -0.768 -11.689 8.591 1.00 32.12 H new ATOM 0 HA ARG A 62 1.365 -10.851 6.839 1.00 31.11 H new ATOM 0 HB2 ARG A 62 -0.839 -11.389 5.988 1.00 60.44 H new ATOM 0 HB3 ARG A 62 -1.594 -10.223 7.056 1.00 60.44 H new ATOM 0 HG2 ARG A 62 -0.686 -8.360 5.835 1.00 12.30 H new ATOM 0 HG3 ARG A 62 0.426 -9.384 4.948 1.00 12.30 H new ATOM 0 HD2 ARG A 62 -2.556 -9.819 4.684 1.00 71.23 H new ATOM 0 HD3 ARG A 62 -1.781 -8.523 3.794 1.00 71.23 H new ATOM 0 HE ARG A 62 -0.204 -10.371 2.914 1.00 60.45 H new ATOM 0 HH11 ARG A 62 -3.455 -11.177 3.950 1.00 53.33 H new ATOM 0 HH12 ARG A 62 -3.649 -12.453 2.742 1.00 53.33 H new ATOM 0 HH21 ARG A 62 -0.479 -11.911 1.285 1.00 53.21 H new ATOM 0 HH22 ARG A 62 -1.963 -12.868 1.233 1.00 53.21 H new ATOM 874 N PHE A 63 1.683 -8.379 7.231 1.00 54.25 N ATOM 875 CA PHE A 63 2.186 -7.060 7.604 1.00 21.03 C ATOM 876 C PHE A 63 2.483 -6.229 6.352 1.00 63.42 C ATOM 877 O PHE A 63 2.346 -6.722 5.227 1.00 31.03 O ATOM 878 CB PHE A 63 3.433 -7.205 8.495 1.00 24.40 C ATOM 879 CG PHE A 63 4.621 -7.975 7.926 1.00 64.02 C ATOM 880 CD1 PHE A 63 4.587 -9.381 7.846 1.00 64.33 C ATOM 881 CD2 PHE A 63 5.810 -7.305 7.575 1.00 43.52 C ATOM 882 CE1 PHE A 63 5.738 -10.099 7.485 1.00 61.45 C ATOM 883 CE2 PHE A 63 6.979 -8.033 7.292 1.00 14.44 C ATOM 884 CZ PHE A 63 6.946 -9.430 7.263 1.00 73.01 C ATOM 0 H PHE A 63 1.975 -8.660 6.295 1.00 54.25 H new ATOM 0 HA PHE A 63 1.422 -6.533 8.176 1.00 21.03 H new ATOM 0 HB2 PHE A 63 3.776 -6.204 8.759 1.00 24.40 H new ATOM 0 HB3 PHE A 63 3.129 -7.692 9.422 1.00 24.40 H new ATOM 0 HD1 PHE A 63 3.671 -9.909 8.064 1.00 64.33 H new ATOM 0 HD2 PHE A 63 5.823 -6.226 7.523 1.00 43.52 H new ATOM 0 HE1 PHE A 63 5.690 -11.173 7.378 1.00 61.45 H new ATOM 0 HE2 PHE A 63 7.904 -7.512 7.097 1.00 14.44 H new ATOM 0 HZ PHE A 63 7.849 -9.990 7.070 1.00 73.01 H new ATOM 893 N TRP A 64 2.890 -4.973 6.544 1.00 34.12 N ATOM 894 CA TRP A 64 3.315 -4.062 5.488 1.00 4.20 C ATOM 895 C TRP A 64 4.785 -3.733 5.672 1.00 62.44 C ATOM 896 O TRP A 64 5.122 -2.915 6.522 1.00 4.31 O ATOM 897 CB TRP A 64 2.475 -2.788 5.535 1.00 21.12 C ATOM 898 CG TRP A 64 1.052 -2.988 5.170 1.00 31.44 C ATOM 899 CD1 TRP A 64 0.004 -2.916 6.011 1.00 62.15 C ATOM 900 CD2 TRP A 64 0.522 -3.397 3.883 1.00 55.52 C ATOM 901 NE1 TRP A 64 -1.152 -3.198 5.314 1.00 15.41 N ATOM 902 CE2 TRP A 64 -0.881 -3.584 4.014 1.00 21.43 C ATOM 903 CE3 TRP A 64 1.113 -3.717 2.648 1.00 11.11 C ATOM 904 CZ2 TRP A 64 -1.646 -4.128 2.969 1.00 64.15 C ATOM 905 CZ3 TRP A 64 0.353 -4.257 1.600 1.00 74.41 C ATOM 906 CH2 TRP A 64 -1.029 -4.473 1.752 1.00 15.12 C ATOM 0 H TRP A 64 2.933 -4.551 7.472 1.00 34.12 H new ATOM 0 HA TRP A 64 3.174 -4.535 4.516 1.00 4.20 H new ATOM 0 HB2 TRP A 64 2.526 -2.369 6.540 1.00 21.12 H new ATOM 0 HB3 TRP A 64 2.912 -2.052 4.860 1.00 21.12 H new ATOM 0 HD1 TRP A 64 0.059 -2.676 7.063 1.00 62.15 H new ATOM 0 HE1 TRP A 64 -2.090 -3.130 5.708 1.00 15.41 H new ATOM 0 HE3 TRP A 64 2.169 -3.544 2.504 1.00 11.11 H new ATOM 0 HZ2 TRP A 64 -2.707 -4.281 3.099 1.00 64.15 H new ATOM 0 HZ3 TRP A 64 0.834 -4.510 0.666 1.00 74.41 H new ATOM 0 HH2 TRP A 64 -1.608 -4.898 0.946 1.00 15.12 H new ATOM 916 N MET A 65 5.673 -4.389 4.937 1.00 44.55 N ATOM 917 CA MET A 65 7.101 -4.109 5.012 1.00 13.31 C ATOM 918 C MET A 65 7.541 -3.015 4.039 1.00 42.12 C ATOM 919 O MET A 65 6.744 -2.569 3.211 1.00 15.31 O ATOM 920 CB MET A 65 7.876 -5.400 4.802 1.00 35.04 C ATOM 921 CG MET A 65 7.784 -5.982 3.384 1.00 22.24 C ATOM 922 SD MET A 65 9.359 -6.585 2.716 1.00 75.11 S ATOM 923 CE MET A 65 9.904 -7.634 4.093 1.00 20.14 C ATOM 0 H MET A 65 5.426 -5.126 4.276 1.00 44.55 H new ATOM 0 HA MET A 65 7.320 -3.717 6.005 1.00 13.31 H new ATOM 0 HB2 MET A 65 8.925 -5.220 5.039 1.00 35.04 H new ATOM 0 HB3 MET A 65 7.512 -6.145 5.510 1.00 35.04 H new ATOM 0 HG2 MET A 65 7.067 -6.803 3.387 1.00 22.24 H new ATOM 0 HG3 MET A 65 7.389 -5.217 2.716 1.00 22.24 H new ATOM 0 HE1 MET A 65 10.594 -8.392 3.722 1.00 20.14 H new ATOM 0 HE2 MET A 65 10.407 -7.021 4.841 1.00 20.14 H new ATOM 0 HE3 MET A 65 9.039 -8.120 4.544 1.00 20.14 H new ATOM 931 N GLN A 66 8.819 -2.619 4.107 1.00 14.13 N ATOM 932 CA GLN A 66 9.413 -1.598 3.251 1.00 73.34 C ATOM 933 C GLN A 66 10.656 -2.154 2.520 1.00 2.13 C ATOM 934 O GLN A 66 11.788 -1.873 2.914 1.00 75.02 O ATOM 935 CB GLN A 66 9.743 -0.341 4.073 1.00 33.01 C ATOM 936 CG GLN A 66 8.512 0.365 4.677 1.00 62.11 C ATOM 937 CD GLN A 66 8.873 1.616 5.486 1.00 44.24 C ATOM 938 OE1 GLN A 66 8.147 2.068 6.364 1.00 12.31 O ATOM 939 NE2 GLN A 66 9.980 2.267 5.179 1.00 34.00 N ATOM 0 H GLN A 66 9.480 -3.013 4.777 1.00 14.13 H new ATOM 0 HA GLN A 66 8.691 -1.312 2.486 1.00 73.34 H new ATOM 0 HB2 GLN A 66 10.421 -0.617 4.880 1.00 33.01 H new ATOM 0 HB3 GLN A 66 10.276 0.365 3.436 1.00 33.01 H new ATOM 0 HG2 GLN A 66 7.830 0.643 3.874 1.00 62.11 H new ATOM 0 HG3 GLN A 66 7.978 -0.335 5.320 1.00 62.11 H new ATOM 0 HE21 GLN A 66 10.598 1.908 4.451 1.00 34.00 H new ATOM 0 HE22 GLN A 66 10.217 3.129 5.670 1.00 34.00 H new ATOM 946 N PRO A 67 10.479 -2.913 1.422 1.00 13.14 N ATOM 947 CA PRO A 67 11.574 -3.505 0.648 1.00 75.03 C ATOM 948 C PRO A 67 12.374 -2.465 -0.151 1.00 0.31 C ATOM 949 O PRO A 67 13.486 -2.750 -0.597 1.00 60.21 O ATOM 950 CB PRO A 67 10.904 -4.509 -0.293 1.00 60.45 C ATOM 951 CG PRO A 67 9.540 -3.871 -0.526 1.00 23.02 C ATOM 952 CD PRO A 67 9.203 -3.267 0.831 1.00 31.43 C ATOM 0 HA PRO A 67 12.302 -3.970 1.313 1.00 75.03 H new ATOM 0 HB2 PRO A 67 11.461 -4.630 -1.222 1.00 60.45 H new ATOM 0 HB3 PRO A 67 10.819 -5.497 0.159 1.00 60.45 H new ATOM 0 HG2 PRO A 67 9.579 -3.111 -1.307 1.00 23.02 H new ATOM 0 HG3 PRO A 67 8.798 -4.608 -0.835 1.00 23.02 H new ATOM 0 HD2 PRO A 67 8.563 -2.391 0.723 1.00 31.43 H new ATOM 0 HD3 PRO A 67 8.665 -3.980 1.456 1.00 31.43 H new ATOM 957 N VAL A 68 11.832 -1.260 -0.335 1.00 61.35 N ATOM 958 CA VAL A 68 12.556 -0.110 -0.846 1.00 31.14 C ATOM 959 C VAL A 68 12.649 0.887 0.307 1.00 23.01 C ATOM 960 O VAL A 68 11.760 1.707 0.538 1.00 62.14 O ATOM 961 CB VAL A 68 11.945 0.396 -2.170 1.00 24.12 C ATOM 962 CG1 VAL A 68 10.421 0.606 -2.135 1.00 4.12 C ATOM 963 CG2 VAL A 68 12.690 1.655 -2.630 1.00 43.22 C ATOM 0 H VAL A 68 10.854 -1.059 -0.126 1.00 61.35 H new ATOM 0 HA VAL A 68 13.577 -0.341 -1.151 1.00 31.14 H new ATOM 0 HB VAL A 68 12.082 -0.399 -2.903 1.00 24.12 H new ATOM 0 HG11 VAL A 68 10.080 0.962 -3.107 1.00 4.12 H new ATOM 0 HG12 VAL A 68 9.929 -0.338 -1.901 1.00 4.12 H new ATOM 0 HG13 VAL A 68 10.173 1.343 -1.371 1.00 4.12 H new ATOM 0 HG21 VAL A 68 12.258 2.012 -3.565 1.00 43.22 H new ATOM 0 HG22 VAL A 68 12.599 2.430 -1.869 1.00 43.22 H new ATOM 0 HG23 VAL A 68 13.743 1.419 -2.783 1.00 43.22 H new ATOM 973 N ARG A 69 13.719 0.781 1.095 1.00 44.51 N ATOM 974 CA ARG A 69 13.906 1.628 2.268 1.00 40.54 C ATOM 975 C ARG A 69 14.655 2.890 1.844 1.00 21.43 C ATOM 976 O ARG A 69 15.841 3.083 2.123 1.00 15.51 O ATOM 977 CB ARG A 69 14.576 0.839 3.395 1.00 32.03 C ATOM 978 CG ARG A 69 14.470 1.617 4.719 1.00 61.45 C ATOM 979 CD ARG A 69 15.838 1.827 5.365 1.00 42.12 C ATOM 980 NE ARG A 69 16.212 0.715 6.258 1.00 1.30 N ATOM 981 CZ ARG A 69 17.460 0.312 6.525 1.00 12.31 C ATOM 982 NH1 ARG A 69 18.478 0.648 5.739 1.00 73.25 N ATOM 983 NH2 ARG A 69 17.702 -0.417 7.603 1.00 21.21 N ATOM 0 H ARG A 69 14.473 0.112 0.939 1.00 44.51 H new ATOM 0 HA ARG A 69 12.950 1.951 2.680 1.00 40.54 H new ATOM 0 HB2 ARG A 69 14.102 -0.137 3.498 1.00 32.03 H new ATOM 0 HB3 ARG A 69 15.623 0.660 3.152 1.00 32.03 H new ATOM 0 HG2 ARG A 69 14.002 2.584 4.536 1.00 61.45 H new ATOM 0 HG3 ARG A 69 13.822 1.075 5.408 1.00 61.45 H new ATOM 0 HD2 ARG A 69 16.593 1.934 4.586 1.00 42.12 H new ATOM 0 HD3 ARG A 69 15.831 2.758 5.931 1.00 42.12 H new ATOM 0 HE ARG A 69 15.452 0.208 6.712 1.00 1.30 H new ATOM 0 HH11 ARG A 69 18.316 1.224 4.913 1.00 73.25 H new ATOM 0 HH12 ARG A 69 19.421 0.330 5.962 1.00 73.25 H new ATOM 0 HH21 ARG A 69 16.938 -0.671 8.229 1.00 21.21 H new ATOM 0 HH22 ARG A 69 18.653 -0.725 7.808 1.00 21.21 H new ATOM 994 N SER A 70 13.943 3.736 1.119 1.00 75.34 N ATOM 995 CA SER A 70 14.451 4.904 0.426 1.00 64.11 C ATOM 996 C SER A 70 13.411 6.021 0.526 1.00 35.40 C ATOM 997 O SER A 70 12.291 5.807 0.985 1.00 11.22 O ATOM 998 CB SER A 70 14.754 4.493 -1.024 1.00 42.31 C ATOM 999 OG SER A 70 15.761 5.297 -1.605 1.00 11.13 O ATOM 0 H SER A 70 12.938 3.618 0.992 1.00 75.34 H new ATOM 0 HA SER A 70 15.372 5.283 0.868 1.00 64.11 H new ATOM 0 HB2 SER A 70 15.066 3.449 -1.047 1.00 42.31 H new ATOM 0 HB3 SER A 70 13.844 4.567 -1.619 1.00 42.31 H new ATOM 0 HG SER A 70 15.603 5.374 -2.569 1.00 11.13 H new ATOM 1004 N THR A 71 13.779 7.219 0.078 1.00 21.44 N ATOM 1005 CA THR A 71 12.897 8.385 0.053 1.00 12.51 C ATOM 1006 C THR A 71 12.891 9.064 -1.328 1.00 34.24 C ATOM 1007 O THR A 71 12.018 9.889 -1.604 1.00 54.13 O ATOM 1008 CB THR A 71 13.184 9.259 1.280 1.00 74.15 C ATOM 1009 OG1 THR A 71 12.170 10.208 1.566 1.00 41.13 O ATOM 1010 CG2 THR A 71 14.512 9.943 1.082 1.00 2.43 C ATOM 0 H THR A 71 14.713 7.411 -0.284 1.00 21.44 H new ATOM 0 HA THR A 71 11.850 8.101 0.160 1.00 12.51 H new ATOM 0 HB THR A 71 13.209 8.601 2.148 1.00 74.15 H new ATOM 0 HG1 THR A 71 12.033 10.259 2.535 1.00 41.13 H new ATOM 0 HG21 THR A 71 14.731 10.569 1.947 1.00 2.43 H new ATOM 0 HG22 THR A 71 15.295 9.193 0.970 1.00 2.43 H new ATOM 0 HG23 THR A 71 14.472 10.563 0.186 1.00 2.43 H new ATOM 1018 N PHE A 72 13.823 8.690 -2.215 1.00 61.31 N ATOM 1019 CA PHE A 72 13.885 9.193 -3.577 1.00 24.20 C ATOM 1020 C PHE A 72 12.654 8.718 -4.340 1.00 4.50 C ATOM 1021 O PHE A 72 12.458 7.515 -4.497 1.00 40.31 O ATOM 1022 CB PHE A 72 15.151 8.680 -4.286 1.00 21.22 C ATOM 1023 CG PHE A 72 16.463 9.417 -4.070 1.00 40.32 C ATOM 1024 CD1 PHE A 72 16.513 10.812 -3.868 1.00 12.22 C ATOM 1025 CD2 PHE A 72 17.666 8.701 -4.222 1.00 4.42 C ATOM 1026 CE1 PHE A 72 17.750 11.478 -3.830 1.00 51.32 C ATOM 1027 CE2 PHE A 72 18.901 9.365 -4.181 1.00 31.41 C ATOM 1028 CZ PHE A 72 18.944 10.757 -3.999 1.00 3.21 C ATOM 0 H PHE A 72 14.561 8.021 -1.995 1.00 61.31 H new ATOM 0 HA PHE A 72 13.915 10.282 -3.551 1.00 24.20 H new ATOM 0 HB2 PHE A 72 15.301 7.644 -3.983 1.00 21.22 H new ATOM 0 HB3 PHE A 72 14.949 8.673 -5.357 1.00 21.22 H new ATOM 0 HD1 PHE A 72 15.597 11.370 -3.742 1.00 12.22 H new ATOM 0 HD2 PHE A 72 17.638 7.632 -4.371 1.00 4.42 H new ATOM 0 HE1 PHE A 72 17.783 12.546 -3.671 1.00 51.32 H new ATOM 0 HE2 PHE A 72 19.819 8.806 -4.289 1.00 31.41 H new ATOM 0 HZ PHE A 72 19.893 11.272 -3.989 1.00 3.21 H new ATOM 1037 N GLU A 73 11.874 9.657 -4.870 1.00 20.23 N ATOM 1038 CA GLU A 73 10.765 9.399 -5.780 1.00 63.33 C ATOM 1039 C GLU A 73 11.130 8.373 -6.881 1.00 31.40 C ATOM 1040 O GLU A 73 10.431 7.363 -6.964 1.00 54.11 O ATOM 1041 CB GLU A 73 10.280 10.755 -6.321 1.00 54.41 C ATOM 1042 CG GLU A 73 9.043 10.685 -7.221 1.00 54.45 C ATOM 1043 CD GLU A 73 8.975 11.902 -8.155 1.00 20.13 C ATOM 1044 OE1 GLU A 73 8.747 13.038 -7.680 1.00 55.14 O ATOM 1045 OE2 GLU A 73 9.218 11.745 -9.376 1.00 53.35 O ATOM 0 H GLU A 73 12.002 10.649 -4.671 1.00 20.23 H new ATOM 0 HA GLU A 73 9.941 8.920 -5.250 1.00 63.33 H new ATOM 0 HB2 GLU A 73 10.061 11.409 -5.477 1.00 54.41 H new ATOM 0 HB3 GLU A 73 11.093 11.218 -6.881 1.00 54.41 H new ATOM 0 HG2 GLU A 73 9.070 9.769 -7.812 1.00 54.45 H new ATOM 0 HG3 GLU A 73 8.143 10.642 -6.607 1.00 54.45 H new ATOM 1050 N PRO A 74 12.207 8.534 -7.690 1.00 51.35 N ATOM 1051 CA PRO A 74 12.520 7.580 -8.760 1.00 12.10 C ATOM 1052 C PRO A 74 13.017 6.218 -8.255 1.00 15.10 C ATOM 1053 O PRO A 74 13.060 5.267 -9.036 1.00 24.22 O ATOM 1054 CB PRO A 74 13.598 8.253 -9.617 1.00 32.21 C ATOM 1055 CG PRO A 74 14.319 9.152 -8.618 1.00 55.42 C ATOM 1056 CD PRO A 74 13.182 9.623 -7.713 1.00 2.42 C ATOM 0 HA PRO A 74 11.611 7.354 -9.318 1.00 12.10 H new ATOM 0 HB2 PRO A 74 14.273 7.523 -10.063 1.00 32.21 H new ATOM 0 HB3 PRO A 74 13.163 8.827 -10.435 1.00 32.21 H new ATOM 0 HG2 PRO A 74 15.082 8.609 -8.061 1.00 55.42 H new ATOM 0 HG3 PRO A 74 14.818 9.987 -9.110 1.00 55.42 H new ATOM 0 HD2 PRO A 74 13.547 9.841 -6.709 1.00 2.42 H new ATOM 0 HD3 PRO A 74 12.734 10.540 -8.095 1.00 2.42 H new ATOM 1061 N ASP A 75 13.414 6.095 -6.986 1.00 12.11 N ATOM 1062 CA ASP A 75 13.794 4.808 -6.405 1.00 54.21 C ATOM 1063 C ASP A 75 12.518 4.080 -5.986 1.00 12.21 C ATOM 1064 O ASP A 75 12.411 2.863 -6.133 1.00 0.43 O ATOM 1065 CB ASP A 75 14.691 4.962 -5.158 1.00 73.45 C ATOM 1066 CG ASP A 75 16.135 5.418 -5.404 1.00 74.12 C ATOM 1067 OD1 ASP A 75 16.413 6.023 -6.460 1.00 2.30 O ATOM 1068 OD2 ASP A 75 16.971 5.188 -4.491 1.00 15.23 O ATOM 0 H ASP A 75 13.480 6.880 -6.338 1.00 12.11 H new ATOM 0 HA ASP A 75 14.358 4.256 -7.156 1.00 54.21 H new ATOM 0 HB2 ASP A 75 14.218 5.676 -4.484 1.00 73.45 H new ATOM 0 HB3 ASP A 75 14.720 4.004 -4.638 1.00 73.45 H new ATOM 1072 N LEU A 76 11.561 4.823 -5.424 1.00 14.23 N ATOM 1073 CA LEU A 76 10.314 4.314 -4.883 1.00 43.41 C ATOM 1074 C LEU A 76 9.427 3.902 -6.041 1.00 75.24 C ATOM 1075 O LEU A 76 9.062 2.740 -6.123 1.00 64.42 O ATOM 1076 CB LEU A 76 9.623 5.375 -3.997 1.00 11.14 C ATOM 1077 CG LEU A 76 10.346 5.663 -2.668 1.00 11.52 C ATOM 1078 CD1 LEU A 76 9.722 6.881 -1.983 1.00 55.23 C ATOM 1079 CD2 LEU A 76 10.286 4.490 -1.681 1.00 34.23 C ATOM 0 H LEU A 76 11.645 5.836 -5.334 1.00 14.23 H new ATOM 0 HA LEU A 76 10.509 3.450 -4.247 1.00 43.41 H new ATOM 0 HB2 LEU A 76 9.541 6.304 -4.561 1.00 11.14 H new ATOM 0 HB3 LEU A 76 8.608 5.044 -3.780 1.00 11.14 H new ATOM 0 HG LEU A 76 11.390 5.840 -2.928 1.00 11.52 H new ATOM 0 HD11 LEU A 76 10.241 7.076 -1.044 1.00 55.23 H new ATOM 0 HD12 LEU A 76 9.812 7.750 -2.634 1.00 55.23 H new ATOM 0 HD13 LEU A 76 8.669 6.685 -1.782 1.00 55.23 H new ATOM 0 HD21 LEU A 76 10.814 4.757 -0.766 1.00 34.23 H new ATOM 0 HD22 LEU A 76 9.246 4.264 -1.447 1.00 34.23 H new ATOM 0 HD23 LEU A 76 10.756 3.614 -2.128 1.00 34.23 H new ATOM 1090 N ASP A 77 9.082 4.823 -6.936 1.00 4.10 N ATOM 1091 CA ASP A 77 8.038 4.577 -7.932 1.00 74.01 C ATOM 1092 C ASP A 77 8.418 3.431 -8.873 1.00 43.44 C ATOM 1093 O ASP A 77 7.589 2.593 -9.236 1.00 54.35 O ATOM 1094 CB ASP A 77 7.766 5.865 -8.709 1.00 60.42 C ATOM 1095 CG ASP A 77 6.299 5.937 -9.098 1.00 33.32 C ATOM 1096 OD1 ASP A 77 5.505 6.342 -8.218 1.00 33.01 O ATOM 1097 OD2 ASP A 77 5.929 5.599 -10.242 1.00 41.15 O ATOM 0 H ASP A 77 9.509 5.748 -6.994 1.00 4.10 H new ATOM 0 HA ASP A 77 7.127 4.272 -7.417 1.00 74.01 H new ATOM 0 HB2 ASP A 77 8.032 6.729 -8.101 1.00 60.42 H new ATOM 0 HB3 ASP A 77 8.390 5.899 -9.602 1.00 60.42 H new ATOM 1101 N ALA A 78 9.713 3.330 -9.185 1.00 35.32 N ATOM 1102 CA ALA A 78 10.295 2.234 -9.943 1.00 33.31 C ATOM 1103 C ALA A 78 10.026 0.875 -9.288 1.00 42.32 C ATOM 1104 O ALA A 78 9.840 -0.115 -10.000 1.00 54.21 O ATOM 1105 CB ALA A 78 11.798 2.478 -10.073 1.00 64.45 C ATOM 0 H ALA A 78 10.399 4.031 -8.907 1.00 35.32 H new ATOM 0 HA ALA A 78 9.830 2.204 -10.928 1.00 33.31 H new ATOM 0 HB1 ALA A 78 12.251 1.664 -10.639 1.00 64.45 H new ATOM 0 HB2 ALA A 78 11.970 3.421 -10.592 1.00 64.45 H new ATOM 0 HB3 ALA A 78 12.247 2.523 -9.081 1.00 64.45 H new ATOM 1111 N TYR A 79 9.951 0.810 -7.952 1.00 62.32 N ATOM 1112 CA TYR A 79 9.597 -0.417 -7.247 1.00 44.52 C ATOM 1113 C TYR A 79 8.254 -0.944 -7.753 1.00 52.33 C ATOM 1114 O TYR A 79 8.131 -2.127 -8.073 1.00 75.15 O ATOM 1115 CB TYR A 79 9.494 -0.208 -5.726 1.00 33.40 C ATOM 1116 CG TYR A 79 9.487 -1.519 -4.982 1.00 34.00 C ATOM 1117 CD1 TYR A 79 10.690 -2.205 -4.725 1.00 41.41 C ATOM 1118 CD2 TYR A 79 8.254 -2.094 -4.645 1.00 64.11 C ATOM 1119 CE1 TYR A 79 10.661 -3.498 -4.173 1.00 21.24 C ATOM 1120 CE2 TYR A 79 8.221 -3.403 -4.137 1.00 73.01 C ATOM 1121 CZ TYR A 79 9.418 -4.116 -3.916 1.00 71.45 C ATOM 1122 OH TYR A 79 9.378 -5.406 -3.486 1.00 55.52 O ATOM 0 H TYR A 79 10.134 1.604 -7.338 1.00 62.32 H new ATOM 0 HA TYR A 79 10.394 -1.134 -7.445 1.00 44.52 H new ATOM 0 HB2 TYR A 79 10.332 0.400 -5.385 1.00 33.40 H new ATOM 0 HB3 TYR A 79 8.584 0.346 -5.496 1.00 33.40 H new ATOM 0 HD1 TYR A 79 11.636 -1.737 -4.952 1.00 41.41 H new ATOM 0 HD2 TYR A 79 7.338 -1.536 -4.775 1.00 64.11 H new ATOM 0 HE1 TYR A 79 11.582 -4.014 -3.947 1.00 21.24 H new ATOM 0 HE2 TYR A 79 7.272 -3.867 -3.914 1.00 73.01 H new ATOM 0 HH TYR A 79 8.446 -5.679 -3.355 1.00 55.52 H new ATOM 1131 N ALA A 80 7.241 -0.073 -7.817 1.00 1.13 N ATOM 1132 CA ALA A 80 5.893 -0.472 -8.185 1.00 23.40 C ATOM 1133 C ALA A 80 5.795 -0.842 -9.659 1.00 42.11 C ATOM 1134 O ALA A 80 4.933 -1.641 -10.030 1.00 73.32 O ATOM 1135 CB ALA A 80 4.898 0.635 -7.835 1.00 51.55 C ATOM 0 H ALA A 80 7.339 0.922 -7.615 1.00 1.13 H new ATOM 0 HA ALA A 80 5.642 -1.364 -7.611 1.00 23.40 H new ATOM 0 HB1 ALA A 80 3.892 0.323 -8.116 1.00 51.55 H new ATOM 0 HB2 ALA A 80 4.931 0.829 -6.763 1.00 51.55 H new ATOM 0 HB3 ALA A 80 5.160 1.544 -8.376 1.00 51.55 H new ATOM 1141 N GLU A 81 6.675 -0.306 -10.504 1.00 60.24 N ATOM 1142 CA GLU A 81 6.703 -0.684 -11.903 1.00 21.03 C ATOM 1143 C GLU A 81 7.352 -2.050 -12.059 1.00 2.12 C ATOM 1144 O GLU A 81 6.955 -2.845 -12.919 1.00 71.33 O ATOM 1145 CB GLU A 81 7.472 0.335 -12.734 1.00 74.23 C ATOM 1146 CG GLU A 81 6.763 1.686 -12.838 1.00 74.45 C ATOM 1147 CD GLU A 81 7.339 2.469 -14.017 1.00 72.01 C ATOM 1148 OE1 GLU A 81 8.539 2.832 -13.968 1.00 52.52 O ATOM 1149 OE2 GLU A 81 6.624 2.639 -15.033 1.00 61.44 O ATOM 0 H GLU A 81 7.373 0.389 -10.238 1.00 60.24 H new ATOM 0 HA GLU A 81 5.674 -0.719 -12.261 1.00 21.03 H new ATOM 0 HB2 GLU A 81 8.458 0.483 -12.294 1.00 74.23 H new ATOM 0 HB3 GLU A 81 7.626 -0.065 -13.736 1.00 74.23 H new ATOM 0 HG2 GLU A 81 5.692 1.538 -12.974 1.00 74.45 H new ATOM 0 HG3 GLU A 81 6.893 2.250 -11.914 1.00 74.45 H new ATOM 1154 N ARG A 82 8.379 -2.321 -11.254 1.00 12.44 N ATOM 1155 CA ARG A 82 9.100 -3.577 -11.283 1.00 72.45 C ATOM 1156 C ARG A 82 8.245 -4.695 -10.715 1.00 44.51 C ATOM 1157 O ARG A 82 8.021 -5.691 -11.398 1.00 44.54 O ATOM 1158 CB ARG A 82 10.431 -3.415 -10.534 1.00 44.32 C ATOM 1159 CG ARG A 82 11.302 -4.667 -10.698 1.00 54.22 C ATOM 1160 CD ARG A 82 12.590 -4.568 -9.871 1.00 11.10 C ATOM 1161 NE ARG A 82 12.690 -5.675 -8.908 1.00 72.14 N ATOM 1162 CZ ARG A 82 12.991 -6.949 -9.179 1.00 31.02 C ATOM 1163 NH1 ARG A 82 13.254 -7.349 -10.420 1.00 60.14 N ATOM 1164 NH2 ARG A 82 13.030 -7.842 -8.202 1.00 53.32 N ATOM 0 H ARG A 82 8.731 -1.663 -10.559 1.00 12.44 H new ATOM 0 HA ARG A 82 9.327 -3.853 -12.313 1.00 72.45 H new ATOM 0 HB2 ARG A 82 10.964 -2.543 -10.914 1.00 44.32 H new ATOM 0 HB3 ARG A 82 10.239 -3.236 -9.476 1.00 44.32 H new ATOM 0 HG2 ARG A 82 10.737 -5.547 -10.390 1.00 54.22 H new ATOM 0 HG3 ARG A 82 11.553 -4.801 -11.750 1.00 54.22 H new ATOM 0 HD2 ARG A 82 13.454 -4.581 -10.536 1.00 11.10 H new ATOM 0 HD3 ARG A 82 12.612 -3.617 -9.339 1.00 11.10 H new ATOM 0 HE ARG A 82 12.511 -5.447 -7.930 1.00 72.14 H new ATOM 0 HH11 ARG A 82 13.228 -6.678 -11.188 1.00 60.14 H new ATOM 0 HH12 ARG A 82 13.481 -8.326 -10.603 1.00 60.14 H new ATOM 0 HH21 ARG A 82 12.830 -7.558 -7.243 1.00 53.32 H new ATOM 0 HH22 ARG A 82 13.260 -8.814 -8.408 1.00 53.32 H new ATOM 1175 N ALA A 83 7.752 -4.549 -9.486 1.00 55.33 N ATOM 1176 CA ALA A 83 7.040 -5.603 -8.775 1.00 33.11 C ATOM 1177 C ALA A 83 5.859 -6.109 -9.605 1.00 35.23 C ATOM 1178 O ALA A 83 5.651 -7.318 -9.737 1.00 55.15 O ATOM 1179 CB ALA A 83 6.568 -5.066 -7.419 1.00 14.34 C ATOM 0 H ALA A 83 7.838 -3.684 -8.952 1.00 55.33 H new ATOM 0 HA ALA A 83 7.711 -6.446 -8.609 1.00 33.11 H new ATOM 0 HB1 ALA A 83 6.034 -5.851 -6.883 1.00 14.34 H new ATOM 0 HB2 ALA A 83 7.431 -4.748 -6.833 1.00 14.34 H new ATOM 0 HB3 ALA A 83 5.903 -4.217 -7.576 1.00 14.34 H new ATOM 1185 N ALA A 84 5.136 -5.175 -10.230 1.00 15.13 N ATOM 1186 CA ALA A 84 3.945 -5.437 -11.024 1.00 53.13 C ATOM 1187 C ALA A 84 4.239 -6.098 -12.371 1.00 32.23 C ATOM 1188 O ALA A 84 3.303 -6.345 -13.130 1.00 15.52 O ATOM 1189 CB ALA A 84 3.193 -4.115 -11.211 1.00 13.23 C ATOM 0 H ALA A 84 5.377 -4.185 -10.192 1.00 15.13 H new ATOM 0 HA ALA A 84 3.331 -6.158 -10.484 1.00 53.13 H new ATOM 0 HB1 ALA A 84 2.295 -4.288 -11.804 1.00 13.23 H new ATOM 0 HB2 ALA A 84 2.913 -3.715 -10.237 1.00 13.23 H new ATOM 0 HB3 ALA A 84 3.836 -3.400 -11.725 1.00 13.23 H new ATOM 1195 N ARG A 85 5.502 -6.394 -12.691 1.00 60.15 N ATOM 1196 CA ARG A 85 5.894 -6.937 -13.988 1.00 4.33 C ATOM 1197 C ARG A 85 6.279 -8.414 -13.928 1.00 0.51 C ATOM 1198 O ARG A 85 6.299 -9.089 -14.958 1.00 32.34 O ATOM 1199 CB ARG A 85 7.014 -6.051 -14.528 1.00 61.21 C ATOM 1200 CG ARG A 85 7.336 -6.369 -15.985 1.00 13.33 C ATOM 1201 CD ARG A 85 8.230 -5.257 -16.534 1.00 33.12 C ATOM 1202 NE ARG A 85 8.505 -5.417 -17.974 1.00 55.35 N ATOM 1203 CZ ARG A 85 7.598 -5.254 -18.949 1.00 73.53 C ATOM 1204 NH1 ARG A 85 6.340 -4.943 -18.654 1.00 51.34 N ATOM 1205 NH2 ARG A 85 7.950 -5.402 -20.221 1.00 11.20 N ATOM 0 H ARG A 85 6.284 -6.261 -12.050 1.00 60.15 H new ATOM 0 HA ARG A 85 5.043 -6.920 -14.669 1.00 4.33 H new ATOM 0 HB2 ARG A 85 6.724 -5.004 -14.440 1.00 61.21 H new ATOM 0 HB3 ARG A 85 7.909 -6.186 -13.920 1.00 61.21 H new ATOM 0 HG2 ARG A 85 7.839 -7.333 -16.061 1.00 13.33 H new ATOM 0 HG3 ARG A 85 6.419 -6.442 -16.569 1.00 13.33 H new ATOM 0 HD2 ARG A 85 7.752 -4.292 -16.363 1.00 33.12 H new ATOM 0 HD3 ARG A 85 9.172 -5.248 -15.986 1.00 33.12 H new ATOM 0 HE ARG A 85 9.454 -5.670 -18.249 1.00 55.35 H new ATOM 0 HH11 ARG A 85 6.058 -4.827 -17.681 1.00 51.34 H new ATOM 0 HH12 ARG A 85 5.656 -4.821 -19.401 1.00 51.34 H new ATOM 0 HH21 ARG A 85 8.913 -5.640 -20.459 1.00 11.20 H new ATOM 0 HH22 ARG A 85 7.258 -5.277 -20.960 1.00 11.20 H new ATOM 1216 N ILE A 86 6.599 -8.919 -12.738 1.00 42.44 N ATOM 1217 CA ILE A 86 6.752 -10.350 -12.494 1.00 73.23 C ATOM 1218 C ILE A 86 5.427 -10.906 -11.962 1.00 13.14 C ATOM 1219 O ILE A 86 5.044 -12.017 -12.332 1.00 73.03 O ATOM 1220 CB ILE A 86 7.928 -10.649 -11.527 1.00 32.32 C ATOM 1221 CG1 ILE A 86 9.273 -10.015 -11.952 1.00 54.42 C ATOM 1222 CG2 ILE A 86 8.154 -12.173 -11.447 1.00 32.44 C ATOM 1223 CD1 ILE A 86 9.454 -8.542 -11.569 1.00 11.50 C ATOM 0 H ILE A 86 6.760 -8.343 -11.912 1.00 42.44 H new ATOM 0 HA ILE A 86 6.999 -10.846 -13.432 1.00 73.23 H new ATOM 0 HB ILE A 86 7.636 -10.214 -10.571 1.00 32.32 H new ATOM 0 HG12 ILE A 86 10.084 -10.591 -11.507 1.00 54.42 H new ATOM 0 HG13 ILE A 86 9.373 -10.107 -13.033 1.00 54.42 H new ATOM 0 HG21 ILE A 86 8.980 -12.383 -10.768 1.00 32.44 H new ATOM 0 HG22 ILE A 86 7.249 -12.656 -11.078 1.00 32.44 H new ATOM 0 HG23 ILE A 86 8.393 -12.558 -12.438 1.00 32.44 H new ATOM 0 HD11 ILE A 86 10.428 -8.194 -11.912 1.00 11.50 H new ATOM 0 HD12 ILE A 86 8.670 -7.946 -12.036 1.00 11.50 H new ATOM 0 HD13 ILE A 86 9.392 -8.437 -10.486 1.00 11.50 H new ATOM 1234 N ASP A 87 4.740 -10.166 -11.081 1.00 52.11 N ATOM 1235 CA ASP A 87 3.595 -10.713 -10.347 1.00 31.24 C ATOM 1236 C ASP A 87 2.456 -11.077 -11.308 1.00 34.01 C ATOM 1237 O ASP A 87 2.240 -10.330 -12.271 1.00 71.03 O ATOM 1238 CB ASP A 87 3.079 -9.696 -9.320 1.00 35.24 C ATOM 1239 CG ASP A 87 2.428 -10.441 -8.167 1.00 51.22 C ATOM 1240 OD1 ASP A 87 3.154 -10.844 -7.229 1.00 42.31 O ATOM 1241 OD2 ASP A 87 1.207 -10.693 -8.216 1.00 55.52 O ATOM 0 H ASP A 87 4.957 -9.194 -10.862 1.00 52.11 H new ATOM 0 HA ASP A 87 3.930 -11.613 -9.831 1.00 31.24 H new ATOM 0 HB2 ASP A 87 3.901 -9.081 -8.954 1.00 35.24 H new ATOM 0 HB3 ASP A 87 2.360 -9.022 -9.786 1.00 35.24 H new ATOM 1245 N PRO A 88 1.686 -12.150 -11.059 1.00 74.34 N ATOM 1246 CA PRO A 88 0.521 -12.480 -11.861 1.00 42.31 C ATOM 1247 C PRO A 88 -0.540 -11.391 -11.724 1.00 34.14 C ATOM 1248 O PRO A 88 -1.035 -10.881 -12.734 1.00 54.51 O ATOM 1249 CB PRO A 88 0.020 -13.831 -11.329 1.00 12.10 C ATOM 1250 CG PRO A 88 0.574 -13.907 -9.910 1.00 74.23 C ATOM 1251 CD PRO A 88 1.898 -13.173 -10.050 1.00 43.11 C ATOM 0 HA PRO A 88 0.756 -12.546 -12.923 1.00 42.31 H new ATOM 0 HB2 PRO A 88 -1.069 -13.881 -11.334 1.00 12.10 H new ATOM 0 HB3 PRO A 88 0.380 -14.658 -11.941 1.00 12.10 H new ATOM 0 HG2 PRO A 88 -0.085 -13.426 -9.188 1.00 74.23 H new ATOM 0 HG3 PRO A 88 0.711 -14.937 -9.580 1.00 74.23 H new ATOM 0 HD2 PRO A 88 2.199 -12.728 -9.102 1.00 43.11 H new ATOM 0 HD3 PRO A 88 2.693 -13.856 -10.349 1.00 43.11 H new ATOM 1256 N ASP A 89 -0.893 -11.034 -10.489 1.00 31.11 N ATOM 1257 CA ASP A 89 -2.024 -10.171 -10.181 1.00 74.03 C ATOM 1258 C ASP A 89 -1.805 -9.521 -8.817 1.00 23.01 C ATOM 1259 O ASP A 89 -2.331 -9.971 -7.792 1.00 62.31 O ATOM 1260 CB ASP A 89 -3.336 -10.974 -10.228 1.00 52.14 C ATOM 1261 CG ASP A 89 -4.120 -10.710 -11.517 1.00 35.50 C ATOM 1262 OD1 ASP A 89 -4.402 -9.526 -11.813 1.00 64.35 O ATOM 1263 OD2 ASP A 89 -4.443 -11.675 -12.255 1.00 53.03 O ATOM 0 H ASP A 89 -0.387 -11.346 -9.660 1.00 31.11 H new ATOM 0 HA ASP A 89 -2.102 -9.381 -10.928 1.00 74.03 H new ATOM 0 HB2 ASP A 89 -3.114 -12.038 -10.150 1.00 52.14 H new ATOM 0 HB3 ASP A 89 -3.953 -10.713 -9.368 1.00 52.14 H new ATOM 1267 N ILE A 90 -0.990 -8.471 -8.791 1.00 11.21 N ATOM 1268 CA ILE A 90 -0.749 -7.672 -7.598 1.00 20.14 C ATOM 1269 C ILE A 90 -1.779 -6.532 -7.551 1.00 2.23 C ATOM 1270 O ILE A 90 -2.414 -6.202 -8.551 1.00 11.21 O ATOM 1271 CB ILE A 90 0.734 -7.230 -7.602 1.00 42.54 C ATOM 1272 CG1 ILE A 90 1.224 -6.758 -6.219 1.00 13.14 C ATOM 1273 CG2 ILE A 90 1.054 -6.239 -8.729 1.00 51.21 C ATOM 1274 CD1 ILE A 90 2.747 -6.610 -6.104 1.00 0.22 C ATOM 0 H ILE A 90 -0.473 -8.149 -9.609 1.00 11.21 H new ATOM 0 HA ILE A 90 -0.892 -8.231 -6.673 1.00 20.14 H new ATOM 0 HB ILE A 90 1.314 -8.125 -7.824 1.00 42.54 H new ATOM 0 HG12 ILE A 90 0.759 -5.799 -5.990 1.00 13.14 H new ATOM 0 HG13 ILE A 90 0.882 -7.466 -5.464 1.00 13.14 H new ATOM 0 HG21 ILE A 90 2.108 -5.964 -8.683 1.00 51.21 H new ATOM 0 HG22 ILE A 90 0.842 -6.703 -9.692 1.00 51.21 H new ATOM 0 HG23 ILE A 90 0.440 -5.346 -8.613 1.00 51.21 H new ATOM 0 HD11 ILE A 90 3.005 -6.274 -5.100 1.00 0.22 H new ATOM 0 HD12 ILE A 90 3.222 -7.572 -6.298 1.00 0.22 H new ATOM 0 HD13 ILE A 90 3.097 -5.879 -6.832 1.00 0.22 H new ATOM 1285 N TRP A 91 -1.955 -5.902 -6.396 1.00 71.41 N ATOM 1286 CA TRP A 91 -2.743 -4.694 -6.222 1.00 71.35 C ATOM 1287 C TRP A 91 -1.785 -3.502 -6.126 1.00 62.45 C ATOM 1288 O TRP A 91 -0.663 -3.642 -5.637 1.00 75.32 O ATOM 1289 CB TRP A 91 -3.573 -4.898 -4.953 1.00 31.30 C ATOM 1290 CG TRP A 91 -4.749 -5.807 -5.102 1.00 15.53 C ATOM 1291 CD1 TRP A 91 -4.697 -7.154 -5.175 1.00 14.52 C ATOM 1292 CD2 TRP A 91 -6.159 -5.460 -5.159 1.00 3.41 C ATOM 1293 NE1 TRP A 91 -5.976 -7.662 -5.232 1.00 42.53 N ATOM 1294 CE2 TRP A 91 -6.922 -6.658 -5.250 1.00 23.22 C ATOM 1295 CE3 TRP A 91 -6.866 -4.244 -5.130 1.00 60.31 C ATOM 1296 CZ2 TRP A 91 -8.322 -6.639 -5.317 1.00 21.23 C ATOM 1297 CZ3 TRP A 91 -8.272 -4.212 -5.177 1.00 43.55 C ATOM 1298 CH2 TRP A 91 -9.000 -5.410 -5.270 1.00 4.22 C ATOM 0 H TRP A 91 -1.537 -6.232 -5.526 1.00 71.41 H new ATOM 0 HA TRP A 91 -3.417 -4.492 -7.055 1.00 71.35 H new ATOM 0 HB2 TRP A 91 -2.923 -5.295 -4.173 1.00 31.30 H new ATOM 0 HB3 TRP A 91 -3.927 -3.926 -4.609 1.00 31.30 H new ATOM 0 HD1 TRP A 91 -3.792 -7.743 -5.187 1.00 14.52 H new ATOM 0 HE1 TRP A 91 -6.196 -8.658 -5.258 1.00 42.53 H new ATOM 0 HE3 TRP A 91 -6.318 -3.315 -5.070 1.00 60.31 H new ATOM 0 HZ2 TRP A 91 -8.875 -7.563 -5.404 1.00 21.23 H new ATOM 0 HZ3 TRP A 91 -8.792 -3.266 -5.142 1.00 43.55 H new ATOM 0 HH2 TRP A 91 -10.079 -5.386 -5.305 1.00 4.22 H new ATOM 1308 N VAL A 92 -2.219 -2.324 -6.567 1.00 22.03 N ATOM 1309 CA VAL A 92 -1.465 -1.073 -6.554 1.00 15.12 C ATOM 1310 C VAL A 92 -2.435 -0.075 -5.940 1.00 20.24 C ATOM 1311 O VAL A 92 -3.513 0.144 -6.501 1.00 2.31 O ATOM 1312 CB VAL A 92 -1.062 -0.650 -7.986 1.00 12.43 C ATOM 1313 CG1 VAL A 92 -0.322 0.691 -8.037 1.00 55.24 C ATOM 1314 CG2 VAL A 92 -0.162 -1.656 -8.717 1.00 20.02 C ATOM 0 H VAL A 92 -3.152 -2.210 -6.963 1.00 22.03 H new ATOM 0 HA VAL A 92 -0.530 -1.150 -5.998 1.00 15.12 H new ATOM 0 HB VAL A 92 -2.029 -0.586 -8.484 1.00 12.43 H new ATOM 0 HG11 VAL A 92 -0.069 0.928 -9.070 1.00 55.24 H new ATOM 0 HG12 VAL A 92 -0.961 1.475 -7.631 1.00 55.24 H new ATOM 0 HG13 VAL A 92 0.591 0.625 -7.445 1.00 55.24 H new ATOM 0 HG21 VAL A 92 0.071 -1.279 -9.713 1.00 20.02 H new ATOM 0 HG22 VAL A 92 0.762 -1.793 -8.155 1.00 20.02 H new ATOM 0 HG23 VAL A 92 -0.679 -2.612 -8.803 1.00 20.02 H new ATOM 1324 N VAL A 93 -2.103 0.473 -4.778 1.00 15.40 N ATOM 1325 CA VAL A 93 -2.998 1.314 -4.003 1.00 52.51 C ATOM 1326 C VAL A 93 -2.243 2.610 -3.728 1.00 44.33 C ATOM 1327 O VAL A 93 -1.179 2.590 -3.103 1.00 72.31 O ATOM 1328 CB VAL A 93 -3.463 0.579 -2.731 1.00 14.20 C ATOM 1329 CG1 VAL A 93 -4.704 1.279 -2.172 1.00 41.24 C ATOM 1330 CG2 VAL A 93 -3.820 -0.899 -2.972 1.00 12.23 C ATOM 0 H VAL A 93 -1.190 0.342 -4.343 1.00 15.40 H new ATOM 0 HA VAL A 93 -3.918 1.548 -4.539 1.00 52.51 H new ATOM 0 HB VAL A 93 -2.626 0.608 -2.034 1.00 14.20 H new ATOM 0 HG11 VAL A 93 -5.038 0.763 -1.272 1.00 41.24 H new ATOM 0 HG12 VAL A 93 -4.460 2.313 -1.929 1.00 41.24 H new ATOM 0 HG13 VAL A 93 -5.499 1.260 -2.917 1.00 41.24 H new ATOM 0 HG21 VAL A 93 -4.139 -1.354 -2.034 1.00 12.23 H new ATOM 0 HG22 VAL A 93 -4.628 -0.964 -3.700 1.00 12.23 H new ATOM 0 HG23 VAL A 93 -2.946 -1.427 -3.353 1.00 12.23 H new ATOM 1340 N GLU A 94 -2.754 3.711 -4.270 1.00 23.01 N ATOM 1341 CA GLU A 94 -2.062 4.986 -4.349 1.00 20.33 C ATOM 1342 C GLU A 94 -2.788 5.959 -3.416 1.00 34.02 C ATOM 1343 O GLU A 94 -3.964 6.261 -3.636 1.00 43.41 O ATOM 1344 CB GLU A 94 -1.999 5.448 -5.823 1.00 32.13 C ATOM 1345 CG GLU A 94 -1.351 4.391 -6.746 1.00 71.21 C ATOM 1346 CD GLU A 94 -1.129 4.872 -8.189 1.00 74.25 C ATOM 1347 OE1 GLU A 94 -2.046 5.490 -8.778 1.00 51.42 O ATOM 1348 OE2 GLU A 94 -0.055 4.589 -8.763 1.00 73.35 O ATOM 0 H GLU A 94 -3.689 3.738 -4.677 1.00 23.01 H new ATOM 0 HA GLU A 94 -1.025 4.921 -4.019 1.00 20.33 H new ATOM 0 HB2 GLU A 94 -3.007 5.665 -6.176 1.00 32.13 H new ATOM 0 HB3 GLU A 94 -1.432 6.377 -5.886 1.00 32.13 H new ATOM 0 HG2 GLU A 94 -0.392 4.092 -6.322 1.00 71.21 H new ATOM 0 HG3 GLU A 94 -1.982 3.503 -6.763 1.00 71.21 H new ATOM 1353 N ILE A 95 -2.123 6.362 -2.327 1.00 64.42 N ATOM 1354 CA ILE A 95 -2.637 7.236 -1.278 1.00 21.02 C ATOM 1355 C ILE A 95 -1.803 8.523 -1.349 1.00 44.45 C ATOM 1356 O ILE A 95 -0.619 8.515 -0.995 1.00 74.03 O ATOM 1357 CB ILE A 95 -2.565 6.542 0.115 1.00 51.52 C ATOM 1358 CG1 ILE A 95 -2.962 5.046 0.139 1.00 35.24 C ATOM 1359 CG2 ILE A 95 -3.373 7.323 1.161 1.00 22.03 C ATOM 1360 CD1 ILE A 95 -4.397 4.739 -0.298 1.00 40.40 C ATOM 0 H ILE A 95 -1.162 6.069 -2.149 1.00 64.42 H new ATOM 0 HA ILE A 95 -3.692 7.467 -1.422 1.00 21.02 H new ATOM 0 HB ILE A 95 -1.505 6.558 0.367 1.00 51.52 H new ATOM 0 HG12 ILE A 95 -2.278 4.496 -0.507 1.00 35.24 H new ATOM 0 HG13 ILE A 95 -2.819 4.666 1.151 1.00 35.24 H new ATOM 0 HG21 ILE A 95 -3.306 6.817 2.124 1.00 22.03 H new ATOM 0 HG22 ILE A 95 -2.971 8.332 1.252 1.00 22.03 H new ATOM 0 HG23 ILE A 95 -4.416 7.375 0.850 1.00 22.03 H new ATOM 0 HD11 ILE A 95 -4.572 3.664 -0.245 1.00 40.40 H new ATOM 0 HD12 ILE A 95 -5.096 5.253 0.361 1.00 40.40 H new ATOM 0 HD13 ILE A 95 -4.546 5.080 -1.322 1.00 40.40 H new ATOM 1371 N GLU A 96 -2.386 9.625 -1.825 1.00 22.33 N ATOM 1372 CA GLU A 96 -1.699 10.905 -1.931 1.00 73.30 C ATOM 1373 C GLU A 96 -2.294 11.878 -0.923 1.00 3.11 C ATOM 1374 O GLU A 96 -3.341 12.493 -1.151 1.00 35.25 O ATOM 1375 CB GLU A 96 -1.646 11.437 -3.369 1.00 73.05 C ATOM 1376 CG GLU A 96 -0.597 10.655 -4.190 1.00 51.41 C ATOM 1377 CD GLU A 96 0.340 11.501 -5.070 1.00 71.21 C ATOM 1378 OE1 GLU A 96 0.646 12.674 -4.750 1.00 22.42 O ATOM 1379 OE2 GLU A 96 0.841 10.946 -6.078 1.00 24.24 O ATOM 0 H GLU A 96 -3.353 9.650 -2.148 1.00 22.33 H new ATOM 0 HA GLU A 96 -0.648 10.769 -1.674 1.00 73.30 H new ATOM 0 HB2 GLU A 96 -2.627 11.343 -3.835 1.00 73.05 H new ATOM 0 HB3 GLU A 96 -1.396 12.498 -3.363 1.00 73.05 H new ATOM 0 HG2 GLU A 96 0.013 10.072 -3.501 1.00 51.41 H new ATOM 0 HG3 GLU A 96 -1.121 9.945 -4.830 1.00 51.41 H new ATOM 1384 N ASP A 97 -1.632 11.973 0.232 1.00 33.02 N ATOM 1385 CA ASP A 97 -2.079 12.771 1.365 1.00 23.04 C ATOM 1386 C ASP A 97 -1.285 14.078 1.483 1.00 40.53 C ATOM 1387 O ASP A 97 -0.317 14.314 0.754 1.00 61.31 O ATOM 1388 CB ASP A 97 -1.986 11.924 2.641 1.00 1.33 C ATOM 1389 CG ASP A 97 -2.976 12.443 3.674 1.00 40.34 C ATOM 1390 OD1 ASP A 97 -2.638 13.390 4.420 1.00 34.43 O ATOM 1391 OD2 ASP A 97 -4.116 11.937 3.712 1.00 61.21 O ATOM 0 H ASP A 97 -0.753 11.486 0.405 1.00 33.02 H new ATOM 0 HA ASP A 97 -3.118 13.062 1.212 1.00 23.04 H new ATOM 0 HB2 ASP A 97 -2.198 10.880 2.412 1.00 1.33 H new ATOM 0 HB3 ASP A 97 -0.973 11.963 3.042 1.00 1.33 H new ATOM 1395 N ARG A 98 -1.683 14.949 2.410 1.00 55.30 N ATOM 1396 CA ARG A 98 -1.001 16.189 2.769 1.00 43.41 C ATOM 1397 C ARG A 98 -0.217 16.085 4.066 1.00 63.42 C ATOM 1398 O ARG A 98 0.417 17.065 4.404 1.00 75.20 O ATOM 1399 CB ARG A 98 -1.984 17.367 2.765 1.00 51.33 C ATOM 1400 CG ARG A 98 -2.998 17.236 3.897 1.00 20.15 C ATOM 1401 CD ARG A 98 -3.808 18.524 4.075 1.00 52.52 C ATOM 1402 NE ARG A 98 -4.769 18.426 5.189 1.00 13.14 N ATOM 1403 CZ ARG A 98 -6.092 18.626 5.134 1.00 52.40 C ATOM 1404 NH1 ARG A 98 -6.705 18.911 4.000 1.00 4.42 N ATOM 1405 NH2 ARG A 98 -6.811 18.529 6.247 1.00 34.02 N ATOM 0 H ARG A 98 -2.531 14.800 2.957 1.00 55.30 H new ATOM 0 HA ARG A 98 -0.251 16.379 2.002 1.00 43.41 H new ATOM 0 HB2 ARG A 98 -1.436 18.303 2.870 1.00 51.33 H new ATOM 0 HB3 ARG A 98 -2.505 17.408 1.808 1.00 51.33 H new ATOM 0 HG2 ARG A 98 -3.673 16.406 3.688 1.00 20.15 H new ATOM 0 HG3 ARG A 98 -2.480 16.999 4.826 1.00 20.15 H new ATOM 0 HD2 ARG A 98 -3.128 19.357 4.255 1.00 52.52 H new ATOM 0 HD3 ARG A 98 -4.345 18.745 3.152 1.00 52.52 H new ATOM 0 HE ARG A 98 -4.384 18.179 6.101 1.00 13.14 H new ATOM 0 HH11 ARG A 98 -6.169 18.984 3.135 1.00 4.42 H new ATOM 0 HH12 ARG A 98 -7.714 19.058 3.989 1.00 4.42 H new ATOM 0 HH21 ARG A 98 -6.355 18.304 7.131 1.00 34.02 H new ATOM 0 HH22 ARG A 98 -7.819 18.679 6.217 1.00 34.02 H new ATOM 1416 N ASP A 99 -0.273 14.960 4.776 1.00 22.43 N ATOM 1417 CA ASP A 99 0.273 14.732 6.115 1.00 23.05 C ATOM 1418 C ASP A 99 0.948 13.354 6.226 1.00 22.11 C ATOM 1419 O ASP A 99 0.927 12.695 7.270 1.00 43.31 O ATOM 1420 CB ASP A 99 -0.864 14.929 7.124 1.00 62.44 C ATOM 1421 CG ASP A 99 -0.364 14.899 8.562 1.00 41.33 C ATOM 1422 OD1 ASP A 99 0.429 15.787 8.944 1.00 60.41 O ATOM 1423 OD2 ASP A 99 -0.848 14.061 9.348 1.00 3.14 O ATOM 0 H ASP A 99 -0.732 14.127 4.407 1.00 22.43 H new ATOM 0 HA ASP A 99 1.065 15.449 6.331 1.00 23.05 H new ATOM 0 HB2 ASP A 99 -1.358 15.882 6.932 1.00 62.44 H new ATOM 0 HB3 ASP A 99 -1.612 14.148 6.984 1.00 62.44 H new ATOM 1427 N GLY A 100 1.520 12.878 5.113 1.00 55.50 N ATOM 1428 CA GLY A 100 2.412 11.720 5.092 1.00 4.22 C ATOM 1429 C GLY A 100 1.786 10.410 5.546 1.00 31.31 C ATOM 1430 O GLY A 100 2.507 9.488 5.930 1.00 71.15 O ATOM 0 H GLY A 100 1.373 13.293 4.193 1.00 55.50 H new ATOM 0 HA2 GLY A 100 2.790 11.591 4.078 1.00 4.22 H new ATOM 0 HA3 GLY A 100 3.272 11.933 5.728 1.00 4.22 H new ATOM 1434 N ARG A 101 0.459 10.322 5.572 1.00 1.13 N ATOM 1435 CA ARG A 101 -0.248 9.251 6.267 1.00 14.21 C ATOM 1436 C ARG A 101 -0.666 8.185 5.274 1.00 71.00 C ATOM 1437 O ARG A 101 -0.723 8.435 4.073 1.00 55.12 O ATOM 1438 CB ARG A 101 -1.415 9.797 7.096 1.00 64.01 C ATOM 1439 CG ARG A 101 -2.333 10.708 6.292 1.00 31.42 C ATOM 1440 CD ARG A 101 -3.520 11.217 7.105 1.00 62.12 C ATOM 1441 NE ARG A 101 -3.124 12.175 8.157 1.00 1.42 N ATOM 1442 CZ ARG A 101 -3.984 12.916 8.861 1.00 21.44 C ATOM 1443 NH1 ARG A 101 -5.275 12.613 8.876 1.00 20.02 N ATOM 1444 NH2 ARG A 101 -3.543 13.978 9.518 1.00 43.53 N ATOM 0 H ARG A 101 -0.157 10.992 5.111 1.00 1.13 H new ATOM 0 HA ARG A 101 0.424 8.781 6.985 1.00 14.21 H new ATOM 0 HB2 ARG A 101 -1.994 8.963 7.493 1.00 64.01 H new ATOM 0 HB3 ARG A 101 -1.022 10.347 7.951 1.00 64.01 H new ATOM 0 HG2 ARG A 101 -1.760 11.558 5.922 1.00 31.42 H new ATOM 0 HG3 ARG A 101 -2.701 10.168 5.420 1.00 31.42 H new ATOM 0 HD2 ARG A 101 -4.235 11.695 6.435 1.00 62.12 H new ATOM 0 HD3 ARG A 101 -4.030 10.370 7.564 1.00 62.12 H new ATOM 0 HE ARG A 101 -2.129 12.277 8.359 1.00 1.42 H new ATOM 0 HH11 ARG A 101 -5.617 11.810 8.348 1.00 20.02 H new ATOM 0 HH12 ARG A 101 -5.926 13.183 9.416 1.00 20.02 H new ATOM 0 HH21 ARG A 101 -2.554 14.224 9.484 1.00 43.53 H new ATOM 0 HH22 ARG A 101 -4.193 14.550 10.058 1.00 43.53 H new ATOM 1455 N HIS A 102 -0.943 6.985 5.778 1.00 34.23 N ATOM 1456 CA HIS A 102 -1.119 5.800 4.944 1.00 53.52 C ATOM 1457 C HIS A 102 -2.530 5.232 5.102 1.00 0.15 C ATOM 1458 O HIS A 102 -2.901 4.343 4.344 1.00 62.41 O ATOM 1459 CB HIS A 102 -0.054 4.738 5.293 1.00 61.35 C ATOM 1460 CG HIS A 102 1.268 5.254 5.836 1.00 33.00 C ATOM 1461 ND1 HIS A 102 2.034 6.282 5.326 1.00 11.42 N ATOM 1462 CD2 HIS A 102 1.877 4.830 6.991 1.00 12.41 C ATOM 1463 CE1 HIS A 102 3.076 6.469 6.149 1.00 22.02 C ATOM 1464 NE2 HIS A 102 3.017 5.620 7.190 1.00 43.11 N ATOM 0 H HIS A 102 -1.052 6.807 6.776 1.00 34.23 H new ATOM 0 HA HIS A 102 -0.989 6.087 3.900 1.00 53.52 H new ATOM 0 HB2 HIS A 102 -0.481 4.056 6.028 1.00 61.35 H new ATOM 0 HB3 HIS A 102 0.151 4.153 4.396 1.00 61.35 H new ATOM 0 HD2 HIS A 102 1.538 4.030 7.632 1.00 12.41 H new ATOM 0 HE1 HIS A 102 3.855 7.201 5.997 1.00 22.02 H new ATOM 0 HE2 HIS A 102 3.672 5.562 7.970 1.00 43.11 H new ATOM 1471 N PHE A 103 -3.305 5.706 6.090 1.00 42.22 N ATOM 1472 CA PHE A 103 -4.628 5.235 6.514 1.00 34.41 C ATOM 1473 C PHE A 103 -4.728 3.727 6.804 1.00 32.22 C ATOM 1474 O PHE A 103 -5.806 3.235 7.139 1.00 4.41 O ATOM 1475 CB PHE A 103 -5.711 5.742 5.550 1.00 35.32 C ATOM 1476 CG PHE A 103 -6.143 7.167 5.816 1.00 13.41 C ATOM 1477 CD1 PHE A 103 -7.204 7.409 6.713 1.00 22.34 C ATOM 1478 CD2 PHE A 103 -5.535 8.242 5.139 1.00 24.23 C ATOM 1479 CE1 PHE A 103 -7.685 8.714 6.907 1.00 75.43 C ATOM 1480 CE2 PHE A 103 -6.016 9.547 5.350 1.00 33.32 C ATOM 1481 CZ PHE A 103 -7.093 9.786 6.219 1.00 21.14 C ATOM 0 H PHE A 103 -2.994 6.494 6.658 1.00 42.22 H new ATOM 0 HA PHE A 103 -4.805 5.678 7.494 1.00 34.41 H new ATOM 0 HB2 PHE A 103 -5.338 5.669 4.528 1.00 35.32 H new ATOM 0 HB3 PHE A 103 -6.581 5.089 5.619 1.00 35.32 H new ATOM 0 HD1 PHE A 103 -7.649 6.587 7.253 1.00 22.34 H new ATOM 0 HD2 PHE A 103 -4.709 8.066 4.466 1.00 24.23 H new ATOM 0 HE1 PHE A 103 -8.508 8.893 7.583 1.00 75.43 H new ATOM 0 HE2 PHE A 103 -5.551 10.376 4.837 1.00 33.32 H new ATOM 0 HZ PHE A 103 -7.465 10.790 6.358 1.00 21.14 H new ATOM 1490 N LEU A 104 -3.632 2.972 6.742 1.00 20.23 N ATOM 1491 CA LEU A 104 -3.589 1.565 7.100 1.00 63.23 C ATOM 1492 C LEU A 104 -3.835 1.436 8.607 1.00 62.20 C ATOM 1493 O LEU A 104 -3.337 2.226 9.414 1.00 11.14 O ATOM 1494 CB LEU A 104 -2.244 0.949 6.654 1.00 14.25 C ATOM 1495 CG LEU A 104 -2.131 0.761 5.128 1.00 13.21 C ATOM 1496 CD1 LEU A 104 -0.674 0.453 4.765 1.00 52.45 C ATOM 1497 CD2 LEU A 104 -3.063 -0.353 4.642 1.00 4.22 C ATOM 0 H LEU A 104 -2.730 3.336 6.433 1.00 20.23 H new ATOM 0 HA LEU A 104 -4.371 1.007 6.585 1.00 63.23 H new ATOM 0 HB2 LEU A 104 -1.430 1.588 6.995 1.00 14.25 H new ATOM 0 HB3 LEU A 104 -2.116 -0.017 7.142 1.00 14.25 H new ATOM 0 HG LEU A 104 -2.438 1.681 4.631 1.00 13.21 H new ATOM 0 HD11 LEU A 104 -0.588 0.319 3.687 1.00 52.45 H new ATOM 0 HD12 LEU A 104 -0.038 1.280 5.080 1.00 52.45 H new ATOM 0 HD13 LEU A 104 -0.358 -0.460 5.270 1.00 52.45 H new ATOM 0 HD21 LEU A 104 -2.964 -0.465 3.562 1.00 4.22 H new ATOM 0 HD22 LEU A 104 -2.795 -1.290 5.130 1.00 4.22 H new ATOM 0 HD23 LEU A 104 -4.094 -0.098 4.887 1.00 4.22 H new ATOM 1508 N THR A 105 -4.620 0.438 8.997 1.00 42.30 N ATOM 1509 CA THR A 105 -4.980 0.097 10.379 1.00 44.51 C ATOM 1510 C THR A 105 -4.130 -1.093 10.864 1.00 42.14 C ATOM 1511 O THR A 105 -4.423 -1.708 11.888 1.00 74.40 O ATOM 1512 CB THR A 105 -6.514 -0.119 10.404 1.00 52.41 C ATOM 1513 OG1 THR A 105 -7.082 -0.235 11.697 1.00 63.43 O ATOM 1514 CG2 THR A 105 -6.930 -1.346 9.587 1.00 32.03 C ATOM 0 H THR A 105 -5.050 -0.195 8.322 1.00 42.30 H new ATOM 0 HA THR A 105 -4.754 0.890 11.092 1.00 44.51 H new ATOM 0 HB THR A 105 -6.905 0.795 9.958 1.00 52.41 H new ATOM 0 HG1 THR A 105 -6.477 -0.745 12.276 1.00 63.43 H new ATOM 0 HG21 THR A 105 -8.013 -1.462 9.630 1.00 32.03 H new ATOM 0 HG22 THR A 105 -6.620 -1.215 8.550 1.00 32.03 H new ATOM 0 HG23 THR A 105 -6.453 -2.236 9.998 1.00 32.03 H new ATOM 1522 N GLU A 106 -3.086 -1.431 10.111 1.00 21.12 N ATOM 1523 CA GLU A 106 -2.309 -2.661 10.168 1.00 11.11 C ATOM 1524 C GLU A 106 -0.915 -2.357 10.742 1.00 75.34 C ATOM 1525 O GLU A 106 -0.519 -1.183 10.780 1.00 1.23 O ATOM 1526 CB GLU A 106 -2.184 -3.164 8.717 1.00 73.11 C ATOM 1527 CG GLU A 106 -3.498 -3.660 8.095 1.00 42.14 C ATOM 1528 CD GLU A 106 -3.825 -5.103 8.480 1.00 64.42 C ATOM 1529 OE1 GLU A 106 -3.302 -6.022 7.817 1.00 33.24 O ATOM 1530 OE2 GLU A 106 -4.636 -5.311 9.415 1.00 52.13 O ATOM 0 H GLU A 106 -2.736 -0.801 9.389 1.00 21.12 H new ATOM 0 HA GLU A 106 -2.783 -3.409 10.803 1.00 11.11 H new ATOM 0 HB2 GLU A 106 -1.787 -2.358 8.100 1.00 73.11 H new ATOM 0 HB3 GLU A 106 -1.456 -3.975 8.689 1.00 73.11 H new ATOM 0 HG2 GLU A 106 -4.313 -3.010 8.412 1.00 42.14 H new ATOM 0 HG3 GLU A 106 -3.433 -3.584 7.010 1.00 42.14 H new ATOM 1535 N PRO A 107 -0.150 -3.381 11.159 1.00 60.04 N ATOM 1536 CA PRO A 107 1.264 -3.227 11.473 1.00 23.34 C ATOM 1537 C PRO A 107 2.071 -2.924 10.208 1.00 35.01 C ATOM 1538 O PRO A 107 1.755 -3.416 9.119 1.00 64.21 O ATOM 1539 CB PRO A 107 1.693 -4.554 12.101 1.00 14.43 C ATOM 1540 CG PRO A 107 0.707 -5.570 11.536 1.00 4.33 C ATOM 1541 CD PRO A 107 -0.571 -4.763 11.336 1.00 54.12 C ATOM 0 HA PRO A 107 1.439 -2.393 12.152 1.00 23.34 H new ATOM 0 HB2 PRO A 107 2.720 -4.806 11.837 1.00 14.43 H new ATOM 0 HB3 PRO A 107 1.644 -4.514 13.189 1.00 14.43 H new ATOM 0 HG2 PRO A 107 1.063 -5.994 10.597 1.00 4.33 H new ATOM 0 HG3 PRO A 107 0.552 -6.402 12.223 1.00 4.33 H new ATOM 0 HD2 PRO A 107 -1.124 -5.117 10.466 1.00 54.12 H new ATOM 0 HD3 PRO A 107 -1.233 -4.862 12.196 1.00 54.12 H new ATOM 1546 N VAL A 108 3.142 -2.149 10.373 1.00 0.44 N ATOM 1547 CA VAL A 108 3.994 -1.688 9.289 1.00 61.24 C ATOM 1548 C VAL A 108 5.441 -1.862 9.756 1.00 13.42 C ATOM 1549 O VAL A 108 5.873 -1.263 10.746 1.00 3.43 O ATOM 1550 CB VAL A 108 3.638 -0.242 8.878 1.00 62.34 C ATOM 1551 CG1 VAL A 108 4.435 0.222 7.650 1.00 31.03 C ATOM 1552 CG2 VAL A 108 2.143 -0.047 8.556 1.00 44.35 C ATOM 0 H VAL A 108 3.445 -1.819 11.289 1.00 0.44 H new ATOM 0 HA VAL A 108 3.845 -2.272 8.381 1.00 61.24 H new ATOM 0 HB VAL A 108 3.897 0.355 9.752 1.00 62.34 H new ATOM 0 HG11 VAL A 108 4.152 1.244 7.397 1.00 31.03 H new ATOM 0 HG12 VAL A 108 5.501 0.185 7.873 1.00 31.03 H new ATOM 0 HG13 VAL A 108 4.218 -0.434 6.807 1.00 31.03 H new ATOM 0 HG21 VAL A 108 1.964 0.991 8.275 1.00 44.35 H new ATOM 0 HG22 VAL A 108 1.860 -0.700 7.731 1.00 44.35 H new ATOM 0 HG23 VAL A 108 1.546 -0.293 9.434 1.00 44.35 H new ATOM 1562 N GLU A 109 6.173 -2.739 9.083 1.00 40.55 N ATOM 1563 CA GLU A 109 7.601 -2.989 9.227 1.00 20.03 C ATOM 1564 C GLU A 109 8.405 -1.867 8.574 1.00 13.40 C ATOM 1565 O GLU A 109 7.857 -0.923 7.997 1.00 73.41 O ATOM 1566 CB GLU A 109 7.919 -4.353 8.587 1.00 53.34 C ATOM 1567 CG GLU A 109 8.160 -5.436 9.644 1.00 42.11 C ATOM 1568 CD GLU A 109 9.627 -5.551 10.052 1.00 20.11 C ATOM 1569 OE1 GLU A 109 10.341 -4.526 10.048 1.00 74.12 O ATOM 1570 OE2 GLU A 109 10.043 -6.695 10.359 1.00 41.41 O ATOM 0 H GLU A 109 5.755 -3.337 8.371 1.00 40.55 H new ATOM 0 HA GLU A 109 7.878 -3.012 10.281 1.00 20.03 H new ATOM 0 HB2 GLU A 109 7.093 -4.653 7.941 1.00 53.34 H new ATOM 0 HB3 GLU A 109 8.801 -4.260 7.954 1.00 53.34 H new ATOM 0 HG2 GLU A 109 7.559 -5.216 10.526 1.00 42.11 H new ATOM 0 HG3 GLU A 109 7.819 -6.396 9.257 1.00 42.11 H new ATOM 1575 N SER A 110 9.720 -1.948 8.708 1.00 43.22 N ATOM 1576 CA SER A 110 10.673 -0.980 8.212 1.00 20.11 C ATOM 1577 C SER A 110 11.772 -1.869 7.661 1.00 21.20 C ATOM 1578 O SER A 110 12.674 -2.252 8.439 1.00 40.45 O ATOM 1579 CB SER A 110 11.021 -0.071 9.402 1.00 61.25 C ATOM 1580 OG SER A 110 11.863 1.032 9.119 1.00 44.14 O ATOM 0 H SER A 110 10.167 -2.729 9.189 1.00 43.22 H new ATOM 0 HA SER A 110 10.369 -0.288 7.427 1.00 20.11 H new ATOM 0 HB2 SER A 110 10.092 0.307 9.828 1.00 61.25 H new ATOM 0 HB3 SER A 110 11.499 -0.679 10.170 1.00 61.25 H new ATOM 0 HG SER A 110 12.020 1.543 9.940 1.00 44.14 H new TER 1585 SER A 110