USER MOD reduce.3.24.130724 H: found=0, std=0, add=880, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 877 hydrogens (128 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 NoAdj-H: A 17 MLY H2 : A 17 MLY N : A 16 PRO C :(H bumps) USER MOD NoAdj-H: A 34 MLY H2 : A 34 MLY N : A 33 GLY C :(H bumps) USER MOD NoAdj-H: A 35 MLY H2 : A 35 MLY N : A 34 MLY C :(H bumps) USER MOD NoAdj-H: A 44 MLY H2 : A 44 MLY N : A 43 ASN C :(H bumps) USER MOD NoAdj-H: A 44 MLY H : A 44 MLY N : A 43 ASN C :(H bumps) USER MOD NoAdj-H: A 47 MLY H2 : A 47 MLY N : A 46 PHE C :(H bumps) USER MOD NoAdj-H: A 52 MLY H2 : A 52 MLY N : A 51 GLY C :(H bumps) USER MOD NoAdj-H: A 73 MLY H2 : A 73 MLY N : A 72 ALA C :(H bumps) USER MOD NoAdj-H: A 105 MLY H2 : A 105 MLY N : A 104 LEU C :(H bumps) USER MOD NoAdj-H: A 105 MLY H : A 105 MLY N : A 104 LEU C :(H bumps) USER MOD Set 1.1: A 20 GLN : amide:sc= -1.76! K(o=-3.2!,f=-1.6) USER MOD Set 1.2: A 22 CYS SG : rot 80:sc= -1.48 USER MOD Set 2.1: A 21 THR OG1 : rot 180:sc= 0.00337 USER MOD Set 2.2: A 49 MET CE :methyl -132:sc= 0 (180deg=-1.69!) USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -2.01 K(o=-2,f=-0.014) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -3 GLY N :NH3+ -160:sc= 0 (180deg=-0.168) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= -1.74 X(o=-1.7,f=-1.3) USER MOD Single : A 26 TYR OH : rot -36:sc= 1.24 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.0283 USER MOD Single : A 29 MET CE :methyl -170:sc= 0 (180deg=-0.0757) USER MOD Single : A 38 SER OG : rot -150:sc= -0.419 USER MOD Single : A 39 SER OG : rot -56:sc= 0.273 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= -0.732! X(o=-0.73!,f=-1.1) USER MOD Single : A 66 MET CE :methyl -177:sc= -2.73! (180deg=-2.9!) USER MOD Single : A 67 SER OG : rot -100:sc= 0.481 USER MOD Single : A 70 GLN : amide:sc= -1.76 K(o=-1.8,f=-0.84) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot -72:sc= 1.2 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 HIS : no HD1:sc= -0.0982 X(o=-0.098,f=0) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 96 THR OG1 : rot 102:sc= 0.105 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 -6.995 -20.890 -11.017 1.00 23.20 N ATOM 2 CA GLY A -3 -6.809 -19.739 -11.881 1.00 43.12 C ATOM 3 C GLY A -3 -7.366 -18.456 -11.272 1.00 10.33 C ATOM 4 O GLY A -3 -8.479 -18.055 -11.623 1.00 34.23 O ATOM 0 H1 GLY A -3 -6.330 -21.641 -11.291 1.00 23.20 H new ATOM 0 H2 GLY A -3 -6.819 -20.615 -10.030 1.00 23.20 H new ATOM 0 H3 GLY A -3 -7.970 -21.240 -11.110 1.00 23.20 H new ATOM 0 HA2 GLY A -3 -5.746 -19.609 -12.084 1.00 43.12 H new ATOM 0 HA3 GLY A -3 -7.296 -19.925 -12.838 1.00 43.12 H new ATOM 8 N PRO A -2 -6.616 -17.777 -10.349 1.00 43.42 N ATOM 9 CA PRO A -2 -7.068 -16.527 -9.706 1.00 72.12 C ATOM 10 C PRO A -2 -6.973 -15.316 -10.635 1.00 24.33 C ATOM 11 O PRO A -2 -6.147 -15.292 -11.552 1.00 1.42 O ATOM 12 CB PRO A -2 -6.106 -16.353 -8.514 1.00 65.32 C ATOM 13 CG PRO A -2 -5.300 -17.611 -8.448 1.00 23.11 C ATOM 14 CD PRO A -2 -5.287 -18.168 -9.839 1.00 3.14 C ATOM 0 HA PRO A -2 -8.118 -16.589 -9.421 1.00 72.12 H new ATOM 0 HB2 PRO A -2 -5.463 -15.484 -8.655 1.00 65.32 H new ATOM 0 HB3 PRO A -2 -6.658 -16.194 -7.587 1.00 65.32 H new ATOM 0 HG2 PRO A -2 -4.287 -17.407 -8.100 1.00 23.11 H new ATOM 0 HG3 PRO A -2 -5.741 -18.321 -7.748 1.00 23.11 H new ATOM 0 HD2 PRO A -2 -4.481 -17.745 -10.439 1.00 3.14 H new ATOM 0 HD3 PRO A -2 -5.153 -19.250 -9.842 1.00 3.14 H new ATOM 22 N SER A -1 -7.828 -14.319 -10.384 1.00 54.30 N ATOM 23 CA SER A -1 -7.858 -13.095 -11.187 1.00 74.21 C ATOM 24 C SER A -1 -7.183 -11.932 -10.456 1.00 44.31 C ATOM 25 O SER A -1 -6.417 -11.184 -11.065 1.00 24.24 O ATOM 26 CB SER A -1 -9.303 -12.730 -11.544 1.00 35.31 C ATOM 27 OG SER A -1 -10.115 -12.646 -10.384 1.00 34.24 O ATOM 0 H SER A -1 -8.511 -14.338 -9.627 1.00 54.30 H new ATOM 0 HA SER A -1 -7.301 -13.283 -12.105 1.00 74.21 H new ATOM 0 HB2 SER A -1 -9.320 -11.777 -12.072 1.00 35.31 H new ATOM 0 HB3 SER A -1 -9.712 -13.478 -12.223 1.00 35.31 H new ATOM 0 HG SER A -1 -11.031 -12.410 -10.642 1.00 34.24 H new ATOM 33 N MET A 0 -7.476 -11.806 -9.138 1.00 71.24 N ATOM 34 CA MET A 0 -6.937 -10.746 -8.236 1.00 20.33 C ATOM 35 C MET A 0 -7.000 -9.328 -8.828 1.00 73.21 C ATOM 36 O MET A 0 -6.479 -9.070 -9.916 1.00 22.03 O ATOM 37 CB MET A 0 -5.505 -11.063 -7.729 1.00 31.50 C ATOM 38 CG MET A 0 -4.437 -11.265 -8.806 1.00 40.30 C ATOM 39 SD MET A 0 -2.810 -11.615 -8.112 1.00 23.03 S ATOM 40 CE MET A 0 -1.830 -11.768 -9.604 1.00 60.20 C ATOM 0 H MET A 0 -8.106 -12.449 -8.658 1.00 71.24 H new ATOM 0 HA MET A 0 -7.610 -10.756 -7.379 1.00 20.33 H new ATOM 0 HB2 MET A 0 -5.185 -10.251 -7.077 1.00 31.50 H new ATOM 0 HB3 MET A 0 -5.550 -11.964 -7.117 1.00 31.50 H new ATOM 0 HG2 MET A 0 -4.734 -12.087 -9.458 1.00 40.30 H new ATOM 0 HG3 MET A 0 -4.379 -10.371 -9.427 1.00 40.30 H new ATOM 0 HE1 MET A 0 -0.795 -11.985 -9.339 1.00 60.20 H new ATOM 0 HE2 MET A 0 -2.225 -12.578 -10.217 1.00 60.20 H new ATOM 0 HE3 MET A 0 -1.873 -10.834 -10.165 1.00 60.20 H new ATOM 50 N GLY A 1 -7.625 -8.417 -8.077 1.00 60.01 N ATOM 51 CA GLY A 1 -7.756 -7.035 -8.516 1.00 13.55 C ATOM 52 C GLY A 1 -6.673 -6.127 -7.957 1.00 3.14 C ATOM 53 O GLY A 1 -6.952 -4.987 -7.576 1.00 44.31 O ATOM 0 H GLY A 1 -8.044 -8.615 -7.168 1.00 60.01 H new ATOM 0 HA2 GLY A 1 -7.724 -7.001 -9.605 1.00 13.55 H new ATOM 0 HA3 GLY A 1 -8.732 -6.655 -8.214 1.00 13.55 H new ATOM 57 N VAL A 2 -5.437 -6.638 -7.912 1.00 52.34 N ATOM 58 CA VAL A 2 -4.294 -5.876 -7.403 1.00 33.20 C ATOM 59 C VAL A 2 -3.050 -6.122 -8.280 1.00 63.10 C ATOM 60 O VAL A 2 -2.529 -7.240 -8.339 1.00 55.34 O ATOM 61 CB VAL A 2 -4.027 -6.184 -5.882 1.00 71.54 C ATOM 62 CG1 VAL A 2 -3.685 -7.653 -5.617 1.00 32.31 C ATOM 63 CG2 VAL A 2 -2.948 -5.269 -5.303 1.00 64.22 C ATOM 0 H VAL A 2 -5.204 -7.581 -8.224 1.00 52.34 H new ATOM 0 HA VAL A 2 -4.532 -4.814 -7.463 1.00 33.20 H new ATOM 0 HB VAL A 2 -4.967 -5.980 -5.370 1.00 71.54 H new ATOM 0 HG11 VAL A 2 -3.512 -7.800 -4.551 1.00 32.31 H new ATOM 0 HG12 VAL A 2 -4.513 -8.283 -5.941 1.00 32.31 H new ATOM 0 HG13 VAL A 2 -2.786 -7.923 -6.171 1.00 32.31 H new ATOM 0 HG21 VAL A 2 -2.791 -5.511 -4.252 1.00 64.22 H new ATOM 0 HG22 VAL A 2 -2.017 -5.412 -5.851 1.00 64.22 H new ATOM 0 HG23 VAL A 2 -3.265 -4.230 -5.393 1.00 64.22 H new ATOM 73 N GLN A 3 -2.603 -5.062 -8.963 1.00 54.51 N ATOM 74 CA GLN A 3 -1.432 -5.137 -9.843 1.00 12.04 C ATOM 75 C GLN A 3 -0.293 -4.281 -9.295 1.00 65.23 C ATOM 76 O GLN A 3 -0.444 -3.067 -9.124 1.00 65.11 O ATOM 77 CB GLN A 3 -1.784 -4.685 -11.271 1.00 73.14 C ATOM 78 CG GLN A 3 -2.868 -5.521 -11.945 1.00 31.23 C ATOM 79 CD GLN A 3 -4.244 -4.895 -11.818 1.00 1.13 C ATOM 80 OE1 GLN A 3 -4.683 -4.152 -12.696 1.00 52.13 O ATOM 81 NE2 GLN A 3 -4.928 -5.183 -10.718 1.00 15.44 N ATOM 0 H GLN A 3 -3.036 -4.140 -8.923 1.00 54.51 H new ATOM 0 HA GLN A 3 -1.109 -6.177 -9.878 1.00 12.04 H new ATOM 0 HB2 GLN A 3 -2.110 -3.645 -11.240 1.00 73.14 H new ATOM 0 HB3 GLN A 3 -0.883 -4.719 -11.883 1.00 73.14 H new ATOM 0 HG2 GLN A 3 -2.624 -5.645 -13.000 1.00 31.23 H new ATOM 0 HG3 GLN A 3 -2.883 -6.517 -11.502 1.00 31.23 H new ATOM 0 HE21 GLN A 3 -4.526 -5.804 -10.015 1.00 15.44 H new ATOM 0 HE22 GLN A 3 -5.856 -4.784 -10.575 1.00 15.44 H new ATOM 90 N VAL A 4 0.843 -4.925 -9.021 1.00 15.11 N ATOM 91 CA VAL A 4 2.020 -4.237 -8.488 1.00 21.25 C ATOM 92 C VAL A 4 3.118 -4.169 -9.554 1.00 0.04 C ATOM 93 O VAL A 4 3.539 -5.198 -10.090 1.00 62.43 O ATOM 94 CB VAL A 4 2.563 -4.927 -7.199 1.00 41.33 C ATOM 95 CG1 VAL A 4 3.632 -4.080 -6.516 1.00 50.31 C ATOM 96 CG2 VAL A 4 1.439 -5.236 -6.216 1.00 13.43 C ATOM 0 H VAL A 4 0.973 -5.927 -9.160 1.00 15.11 H new ATOM 0 HA VAL A 4 1.716 -3.226 -8.216 1.00 21.25 H new ATOM 0 HB VAL A 4 3.017 -5.867 -7.513 1.00 41.33 H new ATOM 0 HG11 VAL A 4 3.986 -4.593 -5.622 1.00 50.31 H new ATOM 0 HG12 VAL A 4 4.466 -3.926 -7.200 1.00 50.31 H new ATOM 0 HG13 VAL A 4 3.208 -3.115 -6.237 1.00 50.31 H new ATOM 0 HG21 VAL A 4 1.853 -5.716 -5.329 1.00 13.43 H new ATOM 0 HG22 VAL A 4 0.942 -4.309 -5.928 1.00 13.43 H new ATOM 0 HG23 VAL A 4 0.717 -5.903 -6.687 1.00 13.43 H new ATOM 106 N GLU A 5 3.568 -2.944 -9.844 1.00 43.11 N ATOM 107 CA GLU A 5 4.616 -2.707 -10.842 1.00 1.02 C ATOM 108 C GLU A 5 5.874 -2.178 -10.165 1.00 74.44 C ATOM 109 O GLU A 5 5.827 -1.161 -9.469 1.00 42.12 O ATOM 110 CB GLU A 5 4.162 -1.705 -11.927 1.00 22.54 C ATOM 111 CG GLU A 5 2.652 -1.554 -12.077 1.00 62.44 C ATOM 112 CD GLU A 5 2.266 -0.742 -13.297 1.00 45.30 C ATOM 113 OE1 GLU A 5 2.168 0.497 -13.179 1.00 72.23 O ATOM 114 OE2 GLU A 5 2.061 -1.345 -14.372 1.00 20.43 O ATOM 0 H GLU A 5 3.220 -2.095 -9.398 1.00 43.11 H new ATOM 0 HA GLU A 5 4.825 -3.661 -11.326 1.00 1.02 H new ATOM 0 HB2 GLU A 5 4.588 -0.728 -11.699 1.00 22.54 H new ATOM 0 HB3 GLU A 5 4.577 -2.018 -12.885 1.00 22.54 H new ATOM 0 HG2 GLU A 5 2.197 -2.542 -12.144 1.00 62.44 H new ATOM 0 HG3 GLU A 5 2.248 -1.076 -11.184 1.00 62.44 H new ATOM 121 N THR A 6 6.999 -2.866 -10.392 1.00 42.11 N ATOM 122 CA THR A 6 8.288 -2.484 -9.804 1.00 74.15 C ATOM 123 C THR A 6 8.918 -1.322 -10.575 1.00 12.12 C ATOM 124 O THR A 6 9.064 -1.378 -11.799 1.00 51.21 O ATOM 125 CB THR A 6 9.266 -3.690 -9.766 1.00 0.24 C ATOM 126 OG1 THR A 6 8.584 -4.856 -9.289 1.00 2.23 O ATOM 127 CG2 THR A 6 10.477 -3.421 -8.869 1.00 50.35 C ATOM 0 H THR A 6 7.042 -3.696 -10.983 1.00 42.11 H new ATOM 0 HA THR A 6 8.098 -2.161 -8.780 1.00 74.15 H new ATOM 0 HB THR A 6 9.624 -3.847 -10.783 1.00 0.24 H new ATOM 0 HG1 THR A 6 9.206 -5.613 -9.269 1.00 2.23 H new ATOM 0 HG21 THR A 6 11.133 -4.291 -8.873 1.00 50.35 H new ATOM 0 HG22 THR A 6 11.022 -2.554 -9.243 1.00 50.35 H new ATOM 0 HG23 THR A 6 10.140 -3.226 -7.851 1.00 50.35 H new ATOM 135 N ILE A 7 9.282 -0.280 -9.829 1.00 11.44 N ATOM 136 CA ILE A 7 9.893 0.920 -10.402 1.00 72.43 C ATOM 137 C ILE A 7 11.373 0.997 -10.016 1.00 45.55 C ATOM 138 O ILE A 7 12.220 1.340 -10.846 1.00 31.04 O ATOM 139 CB ILE A 7 9.164 2.223 -9.956 1.00 21.20 C ATOM 140 CG1 ILE A 7 7.649 1.967 -9.808 1.00 42.50 C ATOM 141 CG2 ILE A 7 9.428 3.351 -10.963 1.00 0.24 C ATOM 142 CD1 ILE A 7 6.902 3.003 -8.983 1.00 14.43 C ATOM 0 H ILE A 7 9.163 -0.243 -8.817 1.00 11.44 H new ATOM 0 HA ILE A 7 9.799 0.843 -11.485 1.00 72.43 H new ATOM 0 HB ILE A 7 9.556 2.529 -8.986 1.00 21.20 H new ATOM 0 HG12 ILE A 7 7.204 1.925 -10.802 1.00 42.50 H new ATOM 0 HG13 ILE A 7 7.504 0.988 -9.352 1.00 42.50 H new ATOM 0 HG21 ILE A 7 8.913 4.256 -10.639 1.00 0.24 H new ATOM 0 HG22 ILE A 7 10.499 3.544 -11.020 1.00 0.24 H new ATOM 0 HG23 ILE A 7 9.060 3.055 -11.945 1.00 0.24 H new ATOM 0 HD11 ILE A 7 5.846 2.738 -8.936 1.00 14.43 H new ATOM 0 HD12 ILE A 7 7.314 3.031 -7.974 1.00 14.43 H new ATOM 0 HD13 ILE A 7 7.010 3.984 -9.446 1.00 14.43 H new ATOM 154 N SER A 8 11.665 0.676 -8.750 1.00 5.12 N ATOM 155 CA SER A 8 13.030 0.696 -8.237 1.00 32.42 C ATOM 156 C SER A 8 13.354 -0.624 -7.529 1.00 21.20 C ATOM 157 O SER A 8 12.697 -0.970 -6.543 1.00 31.34 O ATOM 158 CB SER A 8 13.223 1.871 -7.276 1.00 74.32 C ATOM 159 OG SER A 8 14.597 2.096 -7.008 1.00 64.33 O ATOM 0 H SER A 8 10.965 0.398 -8.062 1.00 5.12 H new ATOM 0 HA SER A 8 13.712 0.818 -9.078 1.00 32.42 H new ATOM 0 HB2 SER A 8 12.782 2.771 -7.705 1.00 74.32 H new ATOM 0 HB3 SER A 8 12.696 1.671 -6.343 1.00 74.32 H new ATOM 0 HG SER A 8 14.691 2.853 -6.393 1.00 64.33 H new ATOM 165 N PRO A 9 14.372 -1.390 -8.023 1.00 51.01 N ATOM 166 CA PRO A 9 14.761 -2.680 -7.420 1.00 23.32 C ATOM 167 C PRO A 9 15.460 -2.532 -6.060 1.00 51.21 C ATOM 168 O PRO A 9 16.415 -1.759 -5.924 1.00 32.12 O ATOM 169 CB PRO A 9 15.711 -3.282 -8.462 1.00 21.35 C ATOM 170 CG PRO A 9 16.282 -2.114 -9.188 1.00 44.13 C ATOM 171 CD PRO A 9 15.206 -1.071 -9.213 1.00 61.42 C ATOM 0 HA PRO A 9 13.891 -3.300 -7.202 1.00 23.32 H new ATOM 0 HB2 PRO A 9 16.495 -3.872 -7.987 1.00 21.35 H new ATOM 0 HB3 PRO A 9 15.179 -3.947 -9.142 1.00 21.35 H new ATOM 0 HG2 PRO A 9 17.174 -1.741 -8.685 1.00 44.13 H new ATOM 0 HG3 PRO A 9 16.579 -2.391 -10.199 1.00 44.13 H new ATOM 0 HD2 PRO A 9 15.622 -0.066 -9.151 1.00 61.42 H new ATOM 0 HD3 PRO A 9 14.624 -1.119 -10.133 1.00 61.42 H new ATOM 179 N GLY A 10 14.964 -3.279 -5.068 1.00 11.52 N ATOM 180 CA GLY A 10 15.531 -3.241 -3.728 1.00 4.35 C ATOM 181 C GLY A 10 16.498 -4.385 -3.484 1.00 44.33 C ATOM 182 O GLY A 10 17.494 -4.515 -4.201 1.00 23.33 O ATOM 0 H GLY A 10 14.173 -3.914 -5.173 1.00 11.52 H new ATOM 0 HA2 GLY A 10 16.048 -2.293 -3.580 1.00 4.35 H new ATOM 0 HA3 GLY A 10 14.727 -3.284 -2.993 1.00 4.35 H new ATOM 186 N ASP A 11 16.205 -5.215 -2.470 1.00 12.02 N ATOM 187 CA ASP A 11 17.047 -6.371 -2.141 1.00 21.40 C ATOM 188 C ASP A 11 16.692 -7.575 -3.022 1.00 61.45 C ATOM 189 O ASP A 11 17.582 -8.243 -3.556 1.00 53.40 O ATOM 190 CB ASP A 11 16.903 -6.736 -0.660 1.00 15.33 C ATOM 191 CG ASP A 11 17.642 -5.774 0.251 1.00 54.04 C ATOM 192 OD1 ASP A 11 16.974 -4.987 0.953 1.00 2.54 O ATOM 193 OD2 ASP A 11 18.891 -5.809 0.262 1.00 3.25 O ATOM 0 H ASP A 11 15.391 -5.105 -1.865 1.00 12.02 H new ATOM 0 HA ASP A 11 18.085 -6.099 -2.335 1.00 21.40 H new ATOM 0 HB2 ASP A 11 15.846 -6.745 -0.393 1.00 15.33 H new ATOM 0 HB3 ASP A 11 17.281 -7.746 -0.500 1.00 15.33 H new ATOM 198 N GLY A 12 15.383 -7.837 -3.161 1.00 11.03 N ATOM 199 CA GLY A 12 14.902 -8.944 -3.986 1.00 21.20 C ATOM 200 C GLY A 12 14.868 -10.281 -3.258 1.00 63.51 C ATOM 201 O GLY A 12 14.453 -11.291 -3.834 1.00 45.41 O ATOM 0 H GLY A 12 14.644 -7.296 -2.712 1.00 11.03 H new ATOM 0 HA2 GLY A 12 13.899 -8.710 -4.344 1.00 21.20 H new ATOM 0 HA3 GLY A 12 15.541 -9.035 -4.864 1.00 21.20 H new ATOM 205 N ARG A 13 15.303 -10.282 -1.992 1.00 44.41 N ATOM 206 CA ARG A 13 15.337 -11.499 -1.171 1.00 43.15 C ATOM 207 C ARG A 13 14.821 -11.241 0.254 1.00 71.41 C ATOM 208 O ARG A 13 14.787 -12.158 1.083 1.00 75.24 O ATOM 209 CB ARG A 13 16.761 -12.095 -1.139 1.00 13.14 C ATOM 210 CG ARG A 13 17.868 -11.114 -0.760 1.00 22.33 C ATOM 211 CD ARG A 13 19.235 -11.746 -0.933 1.00 60.10 C ATOM 212 NE ARG A 13 19.685 -11.722 -2.330 1.00 42.52 N ATOM 213 CZ ARG A 13 20.802 -12.308 -2.783 1.00 33.40 C ATOM 214 NH1 ARG A 13 21.610 -12.978 -1.963 1.00 20.42 N ATOM 215 NH2 ARG A 13 21.111 -12.221 -4.070 1.00 61.14 N ATOM 0 H ARG A 13 15.639 -9.447 -1.511 1.00 44.41 H new ATOM 0 HA ARG A 13 14.667 -12.225 -1.633 1.00 43.15 H new ATOM 0 HB2 ARG A 13 16.775 -12.924 -0.432 1.00 13.14 H new ATOM 0 HB3 ARG A 13 16.986 -12.510 -2.121 1.00 13.14 H new ATOM 0 HG2 ARG A 13 17.795 -10.220 -1.380 1.00 22.33 H new ATOM 0 HG3 ARG A 13 17.739 -10.796 0.274 1.00 22.33 H new ATOM 0 HD2 ARG A 13 19.958 -11.219 -0.311 1.00 60.10 H new ATOM 0 HD3 ARG A 13 19.204 -12.777 -0.581 1.00 60.10 H new ATOM 0 HE ARG A 13 19.105 -11.223 -3.005 1.00 42.52 H new ATOM 0 HH11 ARG A 13 21.383 -13.052 -0.971 1.00 20.42 H new ATOM 0 HH12 ARG A 13 22.456 -13.417 -2.327 1.00 20.42 H new ATOM 0 HH21 ARG A 13 20.500 -11.711 -4.708 1.00 61.14 H new ATOM 0 HH22 ARG A 13 21.959 -12.664 -4.422 1.00 61.14 H new ATOM 229 N THR A 14 14.410 -9.996 0.524 1.00 42.14 N ATOM 230 CA THR A 14 13.909 -9.614 1.836 1.00 3.41 C ATOM 231 C THR A 14 12.482 -9.065 1.720 1.00 32.20 C ATOM 232 O THR A 14 12.276 -7.871 1.480 1.00 15.22 O ATOM 233 CB THR A 14 14.842 -8.572 2.505 1.00 43.13 C ATOM 234 OG1 THR A 14 16.213 -8.890 2.231 1.00 71.40 O ATOM 235 CG2 THR A 14 14.637 -8.523 4.014 1.00 52.24 C ATOM 0 H THR A 14 14.418 -9.237 -0.158 1.00 42.14 H new ATOM 0 HA THR A 14 13.891 -10.502 2.467 1.00 3.41 H new ATOM 0 HB THR A 14 14.593 -7.596 2.088 1.00 43.13 H new ATOM 0 HG1 THR A 14 16.794 -8.225 2.656 1.00 71.40 H new ATOM 0 HG21 THR A 14 15.308 -7.782 4.448 1.00 52.24 H new ATOM 0 HG22 THR A 14 13.604 -8.250 4.232 1.00 52.24 H new ATOM 0 HG23 THR A 14 14.852 -9.502 4.442 1.00 52.24 H new ATOM 243 N PHE A 15 11.507 -9.962 1.875 1.00 33.20 N ATOM 244 CA PHE A 15 10.094 -9.596 1.795 1.00 11.33 C ATOM 245 C PHE A 15 9.471 -9.510 3.192 1.00 41.44 C ATOM 246 O PHE A 15 9.897 -10.231 4.099 1.00 72.11 O ATOM 247 CB PHE A 15 9.323 -10.614 0.948 1.00 23.11 C ATOM 248 CG PHE A 15 9.757 -10.668 -0.492 1.00 12.42 C ATOM 249 CD1 PHE A 15 10.889 -11.378 -0.864 1.00 65.13 C ATOM 250 CD2 PHE A 15 9.033 -10.008 -1.470 1.00 33.25 C ATOM 251 CE1 PHE A 15 11.290 -11.427 -2.184 1.00 21.24 C ATOM 252 CE2 PHE A 15 9.429 -10.054 -2.794 1.00 12.41 C ATOM 253 CZ PHE A 15 10.560 -10.764 -3.151 1.00 50.43 C ATOM 0 H PHE A 15 11.672 -10.952 2.058 1.00 33.20 H new ATOM 0 HA PHE A 15 10.029 -8.616 1.323 1.00 11.33 H new ATOM 0 HB2 PHE A 15 9.442 -11.603 1.390 1.00 23.11 H new ATOM 0 HB3 PHE A 15 8.261 -10.373 0.988 1.00 23.11 H new ATOM 0 HD1 PHE A 15 11.463 -11.899 -0.112 1.00 65.13 H new ATOM 0 HD2 PHE A 15 8.149 -9.451 -1.196 1.00 33.25 H new ATOM 0 HE1 PHE A 15 12.174 -11.983 -2.460 1.00 21.24 H new ATOM 0 HE2 PHE A 15 8.855 -9.536 -3.548 1.00 12.41 H new ATOM 0 HZ PHE A 15 10.872 -10.800 -4.184 1.00 50.43 H new ATOM 263 N PRO A 16 8.447 -8.624 3.391 1.00 13.34 N ATOM 264 CA PRO A 16 7.778 -8.468 4.697 1.00 31.25 C ATOM 265 C PRO A 16 6.992 -9.715 5.119 1.00 31.31 C ATOM 266 O PRO A 16 6.126 -10.200 4.382 1.00 15.10 O ATOM 267 CB PRO A 16 6.836 -7.270 4.501 1.00 64.23 C ATOM 268 CG PRO A 16 6.686 -7.088 3.026 1.00 2.14 C ATOM 269 CD PRO A 16 7.893 -7.702 2.371 1.00 35.24 C ATOM 0 HA PRO A 16 8.505 -8.317 5.495 1.00 31.25 H new ATOM 0 HB2 PRO A 16 5.869 -7.455 4.970 1.00 64.23 H new ATOM 0 HB3 PRO A 16 7.248 -6.373 4.963 1.00 64.23 H new ATOM 0 HG2 PRO A 16 5.773 -7.566 2.671 1.00 2.14 H new ATOM 0 HG3 PRO A 16 6.610 -6.030 2.776 1.00 2.14 H new ATOM 0 HD2 PRO A 16 7.621 -8.236 1.461 1.00 35.24 H new ATOM 0 HD3 PRO A 16 8.620 -6.941 2.089 1.00 35.24 H new HETATM 277 N MLY A 17 7.321 -10.224 6.312 1.00 65.54 N HETATM 278 CA MLY A 17 6.681 -11.422 6.869 1.00 1.40 C HETATM 279 CB MLY A 17 7.671 -12.187 7.761 1.00 3.13 C HETATM 280 CG MLY A 17 8.947 -12.615 7.046 1.00 4.51 C HETATM 281 CD MLY A 17 9.819 -13.499 7.927 1.00 62.24 C HETATM 282 CE MLY A 17 11.049 -12.752 8.424 1.00 72.30 C HETATM 283 NZ MLY A 17 11.847 -13.627 9.300 1.00 51.13 N HETATM 284 CH1 MLY A 17 11.957 -13.019 10.636 1.00 21.43 C HETATM 285 CH2 MLY A 17 13.193 -13.800 8.732 1.00 4.23 C HETATM 286 C MLY A 17 5.427 -11.064 7.668 1.00 62.13 C HETATM 287 O MLY A 17 5.267 -9.923 8.113 1.00 41.31 O HETATM 0 HH23 MLY A 17 13.115 -14.252 7.743 1.00 4.23 H new HETATM 0 HH22 MLY A 17 13.681 -12.829 8.650 1.00 4.23 H new HETATM 0 HH21 MLY A 17 13.782 -14.448 9.382 1.00 4.23 H new HETATM 0 HH13 MLY A 17 12.444 -12.047 10.554 1.00 21.43 H new HETATM 0 HH12 MLY A 17 10.961 -12.892 11.061 1.00 21.43 H new HETATM 0 HH11 MLY A 17 12.548 -13.667 11.283 1.00 21.43 H new HETATM 0 HG3 MLY A 17 8.690 -13.152 6.133 1.00 4.51 H new HETATM 0 HG2 MLY A 17 9.510 -11.731 6.747 1.00 4.51 H new HETATM 0 HE3 MLY A 17 11.652 -12.423 7.578 1.00 72.30 H new HETATM 0 HE2 MLY A 17 10.747 -11.857 8.967 1.00 72.30 H new HETATM 0 HD3 MLY A 17 9.238 -13.852 8.779 1.00 62.24 H new HETATM 0 HD2 MLY A 17 10.129 -14.380 7.366 1.00 62.24 H new HETATM 0 HB3 MLY A 17 7.937 -11.560 8.612 1.00 3.13 H new HETATM 0 HB2 MLY A 17 7.176 -13.072 8.160 1.00 3.13 H new HETATM 0 HA MLY A 17 6.381 -12.058 6.036 1.00 1.40 H new HETATM 0 H MLY A 17 8.292 -10.011 6.542 1.00 65.54 H new ATOM 304 N ARG A 18 4.546 -12.059 7.841 1.00 75.42 N ATOM 305 CA ARG A 18 3.289 -11.892 8.574 1.00 34.53 C ATOM 306 C ARG A 18 3.523 -11.891 10.092 1.00 50.25 C ATOM 307 O ARG A 18 4.136 -12.816 10.634 1.00 2.04 O ATOM 308 CB ARG A 18 2.321 -13.015 8.170 1.00 61.11 C ATOM 309 CG ARG A 18 0.864 -12.772 8.555 1.00 12.50 C ATOM 310 CD ARG A 18 -0.028 -13.916 8.099 1.00 23.10 C ATOM 311 NE ARG A 18 -1.415 -13.745 8.546 1.00 72.31 N ATOM 312 CZ ARG A 18 -2.486 -14.256 7.923 1.00 24.01 C ATOM 313 NH1 ARG A 18 -2.357 -14.981 6.813 1.00 2.12 N ATOM 314 NH2 ARG A 18 -3.697 -14.038 8.417 1.00 35.44 N ATOM 0 H ARG A 18 4.687 -13.001 7.476 1.00 75.42 H new ATOM 0 HA ARG A 18 2.854 -10.926 8.317 1.00 34.53 H new ATOM 0 HB2 ARG A 18 2.379 -13.155 7.091 1.00 61.11 H new ATOM 0 HB3 ARG A 18 2.654 -13.946 8.630 1.00 61.11 H new ATOM 0 HG2 ARG A 18 0.786 -12.656 9.636 1.00 12.50 H new ATOM 0 HG3 ARG A 18 0.519 -11.839 8.109 1.00 12.50 H new ATOM 0 HD2 ARG A 18 -0.004 -13.983 7.011 1.00 23.10 H new ATOM 0 HD3 ARG A 18 0.364 -14.857 8.485 1.00 23.10 H new ATOM 0 HE ARG A 18 -1.576 -13.198 9.392 1.00 72.31 H new ATOM 0 HH11 ARG A 18 -1.431 -15.156 6.423 1.00 2.12 H new ATOM 0 HH12 ARG A 18 -3.184 -15.361 6.353 1.00 2.12 H new ATOM 0 HH21 ARG A 18 -3.809 -13.484 9.266 1.00 35.44 H new ATOM 0 HH22 ARG A 18 -4.516 -14.424 7.948 1.00 35.44 H new ATOM 328 N GLY A 19 3.027 -10.840 10.756 1.00 24.02 N ATOM 329 CA GLY A 19 3.174 -10.714 12.201 1.00 64.12 C ATOM 330 C GLY A 19 4.065 -9.555 12.619 1.00 64.12 C ATOM 331 O GLY A 19 3.917 -9.030 13.726 1.00 0.22 O ATOM 0 H GLY A 19 2.524 -10.071 10.314 1.00 24.02 H new ATOM 0 HA2 GLY A 19 2.189 -10.585 12.649 1.00 64.12 H new ATOM 0 HA3 GLY A 19 3.586 -11.641 12.599 1.00 64.12 H new ATOM 335 N GLN A 20 4.987 -9.158 11.734 1.00 1.30 N ATOM 336 CA GLN A 20 5.914 -8.055 12.009 1.00 31.02 C ATOM 337 C GLN A 20 5.434 -6.758 11.353 1.00 45.43 C ATOM 338 O GLN A 20 4.627 -6.790 10.418 1.00 32.11 O ATOM 339 CB GLN A 20 7.345 -8.404 11.543 1.00 72.14 C ATOM 340 CG GLN A 20 7.424 -9.168 10.221 1.00 0.44 C ATOM 341 CD GLN A 20 8.555 -8.686 9.340 1.00 23.22 C ATOM 342 OE1 GLN A 20 9.675 -9.191 9.411 1.00 53.30 O ATOM 343 NE2 GLN A 20 8.263 -7.701 8.502 1.00 33.54 N ATOM 0 H GLN A 20 5.111 -9.587 10.817 1.00 1.30 H new ATOM 0 HA GLN A 20 5.937 -7.902 13.088 1.00 31.02 H new ATOM 0 HB2 GLN A 20 7.915 -7.480 11.446 1.00 72.14 H new ATOM 0 HB3 GLN A 20 7.829 -8.998 12.318 1.00 72.14 H new ATOM 0 HG2 GLN A 20 7.555 -10.230 10.426 1.00 0.44 H new ATOM 0 HG3 GLN A 20 6.480 -9.061 9.686 1.00 0.44 H new ATOM 0 HE21 GLN A 20 7.320 -7.314 8.479 1.00 33.54 H new ATOM 0 HE22 GLN A 20 8.982 -7.330 7.880 1.00 33.54 H new ATOM 352 N THR A 21 5.941 -5.620 11.852 1.00 41.53 N ATOM 353 CA THR A 21 5.570 -4.300 11.330 1.00 5.30 C ATOM 354 C THR A 21 6.405 -3.938 10.100 1.00 73.13 C ATOM 355 O THR A 21 7.584 -4.293 10.013 1.00 42.40 O ATOM 356 CB THR A 21 5.730 -3.189 12.397 1.00 62.42 C ATOM 357 OG1 THR A 21 5.716 -3.752 13.716 1.00 0.54 O ATOM 358 CG2 THR A 21 4.612 -2.159 12.282 1.00 71.14 C ATOM 0 H THR A 21 6.612 -5.590 12.620 1.00 41.53 H new ATOM 0 HA THR A 21 4.519 -4.363 11.049 1.00 5.30 H new ATOM 0 HB THR A 21 6.687 -2.698 12.221 1.00 62.42 H new ATOM 0 HG1 THR A 21 5.820 -3.037 14.378 1.00 0.54 H new ATOM 0 HG21 THR A 21 4.747 -1.389 13.042 1.00 71.14 H new ATOM 0 HG22 THR A 21 4.639 -1.701 11.293 1.00 71.14 H new ATOM 0 HG23 THR A 21 3.649 -2.649 12.428 1.00 71.14 H new ATOM 366 N CYS A 22 5.773 -3.230 9.160 1.00 42.51 N ATOM 367 CA CYS A 22 6.424 -2.816 7.924 1.00 32.11 C ATOM 368 C CYS A 22 6.367 -1.303 7.762 1.00 1.42 C ATOM 369 O CYS A 22 5.284 -0.709 7.703 1.00 21.41 O ATOM 370 CB CYS A 22 5.766 -3.503 6.725 1.00 52.32 C ATOM 371 SG CYS A 22 5.631 -5.298 6.889 1.00 70.12 S ATOM 0 H CYS A 22 4.801 -2.931 9.238 1.00 42.51 H new ATOM 0 HA CYS A 22 7.471 -3.115 7.972 1.00 32.11 H new ATOM 0 HB2 CYS A 22 4.769 -3.086 6.582 1.00 52.32 H new ATOM 0 HB3 CYS A 22 6.340 -3.273 5.827 1.00 52.32 H new ATOM 0 HG CYS A 22 4.611 -5.590 7.641 1.00 70.12 H new ATOM 377 N VAL A 23 7.550 -0.692 7.702 1.00 22.12 N ATOM 378 CA VAL A 23 7.685 0.759 7.538 1.00 41.54 C ATOM 379 C VAL A 23 7.784 1.102 6.049 1.00 42.33 C ATOM 380 O VAL A 23 8.782 0.779 5.395 1.00 53.12 O ATOM 381 CB VAL A 23 8.932 1.319 8.289 1.00 23.33 C ATOM 382 CG1 VAL A 23 8.908 2.843 8.351 1.00 63.04 C ATOM 383 CG2 VAL A 23 9.057 0.717 9.686 1.00 4.23 C ATOM 0 H VAL A 23 8.441 -1.185 7.765 1.00 22.12 H new ATOM 0 HA VAL A 23 6.800 1.225 7.972 1.00 41.54 H new ATOM 0 HB VAL A 23 9.813 1.024 7.719 1.00 23.33 H new ATOM 0 HG11 VAL A 23 9.791 3.200 8.881 1.00 63.04 H new ATOM 0 HG12 VAL A 23 8.904 3.248 7.339 1.00 63.04 H new ATOM 0 HG13 VAL A 23 8.012 3.172 8.877 1.00 63.04 H new ATOM 0 HG21 VAL A 23 9.936 1.128 10.182 1.00 4.23 H new ATOM 0 HG22 VAL A 23 8.167 0.958 10.267 1.00 4.23 H new ATOM 0 HG23 VAL A 23 9.158 -0.366 9.608 1.00 4.23 H new ATOM 393 N VAL A 24 6.737 1.748 5.523 1.00 14.00 N ATOM 394 CA VAL A 24 6.689 2.126 4.107 1.00 22.54 C ATOM 395 C VAL A 24 5.923 3.435 3.903 1.00 24.45 C ATOM 396 O VAL A 24 5.022 3.768 4.679 1.00 4.04 O ATOM 397 CB VAL A 24 6.059 1.013 3.195 1.00 30.52 C ATOM 398 CG1 VAL A 24 6.919 -0.241 3.170 1.00 13.53 C ATOM 399 CG2 VAL A 24 4.644 0.639 3.622 1.00 42.42 C ATOM 0 H VAL A 24 5.912 2.020 6.057 1.00 14.00 H new ATOM 0 HA VAL A 24 7.728 2.259 3.806 1.00 22.54 H new ATOM 0 HB VAL A 24 6.013 1.442 2.194 1.00 30.52 H new ATOM 0 HG11 VAL A 24 6.452 -0.989 2.529 1.00 13.53 H new ATOM 0 HG12 VAL A 24 7.908 0.004 2.782 1.00 13.53 H new ATOM 0 HG13 VAL A 24 7.014 -0.637 4.181 1.00 13.53 H new ATOM 0 HG21 VAL A 24 4.256 -0.134 2.958 1.00 42.42 H new ATOM 0 HG22 VAL A 24 4.660 0.264 4.645 1.00 42.42 H new ATOM 0 HG23 VAL A 24 4.003 1.519 3.568 1.00 42.42 H new ATOM 409 N HIS A 25 6.299 4.158 2.850 1.00 54.10 N ATOM 410 CA HIS A 25 5.658 5.419 2.487 1.00 74.10 C ATOM 411 C HIS A 25 4.698 5.174 1.323 1.00 33.22 C ATOM 412 O HIS A 25 5.101 4.634 0.287 1.00 41.11 O ATOM 413 CB HIS A 25 6.730 6.440 2.099 1.00 2.24 C ATOM 414 CG HIS A 25 7.168 7.333 3.221 1.00 65.32 C ATOM 415 ND1 HIS A 25 6.367 8.293 3.796 1.00 75.02 N ATOM 416 CD2 HIS A 25 8.362 7.406 3.868 1.00 75.31 C ATOM 417 CE1 HIS A 25 7.083 8.905 4.750 1.00 31.32 C ATOM 418 NE2 HIS A 25 8.298 8.403 4.833 1.00 4.31 N ATOM 0 H HIS A 25 7.057 3.885 2.224 1.00 54.10 H new ATOM 0 HA HIS A 25 5.094 5.812 3.333 1.00 74.10 H new ATOM 0 HB2 HIS A 25 7.600 5.907 1.714 1.00 2.24 H new ATOM 0 HB3 HIS A 25 6.349 7.058 1.286 1.00 2.24 H new ATOM 0 HD2 HIS A 25 9.223 6.787 3.664 1.00 75.31 H new ATOM 0 HE1 HIS A 25 6.711 9.707 5.371 1.00 31.32 H new ATOM 0 HE2 HIS A 25 9.039 8.688 5.474 1.00 4.31 H new ATOM 426 N TYR A 26 3.431 5.566 1.498 1.00 62.35 N ATOM 427 CA TYR A 26 2.414 5.355 0.465 1.00 21.44 C ATOM 428 C TYR A 26 1.850 6.667 -0.089 1.00 74.34 C ATOM 429 O TYR A 26 2.039 7.739 0.495 1.00 64.11 O ATOM 430 CB TYR A 26 1.283 4.455 1.012 1.00 4.12 C ATOM 431 CG TYR A 26 0.405 5.085 2.079 1.00 41.22 C ATOM 432 CD1 TYR A 26 -0.701 5.848 1.727 1.00 24.15 C ATOM 433 CD2 TYR A 26 0.679 4.909 3.427 1.00 5.22 C ATOM 434 CE1 TYR A 26 -1.510 6.419 2.686 1.00 73.10 C ATOM 435 CE2 TYR A 26 -0.128 5.478 4.396 1.00 12.01 C ATOM 436 CZ TYR A 26 -1.220 6.232 4.020 1.00 12.10 C ATOM 437 OH TYR A 26 -2.023 6.798 4.983 1.00 1.22 O ATOM 0 H TYR A 26 3.088 6.028 2.340 1.00 62.35 H new ATOM 0 HA TYR A 26 2.901 4.853 -0.371 1.00 21.44 H new ATOM 0 HB2 TYR A 26 0.650 4.150 0.179 1.00 4.12 H new ATOM 0 HB3 TYR A 26 1.729 3.549 1.422 1.00 4.12 H new ATOM 0 HD1 TYR A 26 -0.931 5.997 0.682 1.00 24.15 H new ATOM 0 HD2 TYR A 26 1.534 4.320 3.724 1.00 5.22 H new ATOM 0 HE1 TYR A 26 -2.366 7.009 2.394 1.00 73.10 H new ATOM 0 HE2 TYR A 26 0.096 5.332 5.442 1.00 12.01 H new ATOM 0 HH TYR A 26 -2.342 7.671 4.671 1.00 1.22 H new ATOM 447 N THR A 27 1.154 6.548 -1.228 1.00 54.44 N ATOM 448 CA THR A 27 0.518 7.678 -1.899 1.00 13.54 C ATOM 449 C THR A 27 -0.742 7.194 -2.627 1.00 42.43 C ATOM 450 O THR A 27 -0.653 6.437 -3.600 1.00 34.01 O ATOM 451 CB THR A 27 1.480 8.366 -2.908 1.00 41.24 C ATOM 452 OG1 THR A 27 2.803 8.437 -2.359 1.00 5.33 O ATOM 453 CG2 THR A 27 1.011 9.773 -3.257 1.00 10.41 C ATOM 0 H THR A 27 1.019 5.658 -1.708 1.00 54.44 H new ATOM 0 HA THR A 27 0.253 8.416 -1.142 1.00 13.54 H new ATOM 0 HB THR A 27 1.485 7.765 -3.817 1.00 41.24 H new ATOM 0 HG1 THR A 27 3.401 8.870 -3.003 1.00 5.33 H new ATOM 0 HG21 THR A 27 1.707 10.224 -3.964 1.00 10.41 H new ATOM 0 HG22 THR A 27 0.019 9.725 -3.705 1.00 10.41 H new ATOM 0 HG23 THR A 27 0.971 10.378 -2.351 1.00 10.41 H new ATOM 461 N GLY A 28 -1.907 7.632 -2.137 1.00 62.24 N ATOM 462 CA GLY A 28 -3.177 7.236 -2.739 1.00 22.33 C ATOM 463 C GLY A 28 -3.702 8.259 -3.733 1.00 23.41 C ATOM 464 O GLY A 28 -3.935 9.417 -3.376 1.00 74.50 O ATOM 0 H GLY A 28 -1.993 8.254 -1.333 1.00 62.24 H new ATOM 0 HA2 GLY A 28 -3.052 6.278 -3.243 1.00 22.33 H new ATOM 0 HA3 GLY A 28 -3.916 7.088 -1.952 1.00 22.33 H new ATOM 468 N MET A 29 -3.889 7.812 -4.978 1.00 72.23 N ATOM 469 CA MET A 29 -4.377 8.666 -6.066 1.00 35.31 C ATOM 470 C MET A 29 -5.528 8.004 -6.807 1.00 35.15 C ATOM 471 O MET A 29 -5.439 6.833 -7.190 1.00 40.34 O ATOM 472 CB MET A 29 -3.240 8.970 -7.047 1.00 63.22 C ATOM 473 CG MET A 29 -2.196 9.939 -6.514 1.00 23.45 C ATOM 474 SD MET A 29 -0.662 9.917 -7.470 1.00 60.11 S ATOM 475 CE MET A 29 0.097 8.388 -6.910 1.00 24.43 C ATOM 0 H MET A 29 -3.707 6.849 -5.261 1.00 72.23 H new ATOM 0 HA MET A 29 -4.738 9.596 -5.628 1.00 35.31 H new ATOM 0 HB2 MET A 29 -2.748 8.035 -7.315 1.00 63.22 H new ATOM 0 HB3 MET A 29 -3.666 9.380 -7.963 1.00 63.22 H new ATOM 0 HG2 MET A 29 -2.608 10.948 -6.520 1.00 23.45 H new ATOM 0 HG3 MET A 29 -1.975 9.692 -5.476 1.00 23.45 H new ATOM 0 HE1 MET A 29 1.122 8.334 -7.278 1.00 24.43 H new ATOM 0 HE2 MET A 29 0.101 8.362 -5.820 1.00 24.43 H new ATOM 0 HE3 MET A 29 -0.471 7.539 -7.291 1.00 24.43 H new ATOM 485 N LEU A 30 -6.613 8.771 -7.000 1.00 40.05 N ATOM 486 CA LEU A 30 -7.808 8.300 -7.721 1.00 32.04 C ATOM 487 C LEU A 30 -7.474 7.831 -9.147 1.00 0.41 C ATOM 488 O LEU A 30 -6.354 8.033 -9.627 1.00 4.33 O ATOM 489 CB LEU A 30 -8.853 9.428 -7.786 1.00 20.24 C ATOM 490 CG LEU A 30 -9.809 9.523 -6.593 1.00 42.34 C ATOM 491 CD1 LEU A 30 -10.421 10.913 -6.513 1.00 34.14 C ATOM 492 CD2 LEU A 30 -10.905 8.469 -6.692 1.00 0.13 C ATOM 0 H LEU A 30 -6.687 9.731 -6.663 1.00 40.05 H new ATOM 0 HA LEU A 30 -8.207 7.446 -7.173 1.00 32.04 H new ATOM 0 HB2 LEU A 30 -8.328 10.378 -7.883 1.00 20.24 H new ATOM 0 HB3 LEU A 30 -9.445 9.297 -8.692 1.00 20.24 H new ATOM 0 HG LEU A 30 -9.237 9.339 -5.684 1.00 42.34 H new ATOM 0 HD11 LEU A 30 -11.098 10.964 -5.660 1.00 34.14 H new ATOM 0 HD12 LEU A 30 -9.629 11.653 -6.393 1.00 34.14 H new ATOM 0 HD13 LEU A 30 -10.975 11.120 -7.429 1.00 34.14 H new ATOM 0 HD21 LEU A 30 -11.572 8.556 -5.834 1.00 0.13 H new ATOM 0 HD22 LEU A 30 -11.473 8.620 -7.610 1.00 0.13 H new ATOM 0 HD23 LEU A 30 -10.455 7.476 -6.703 1.00 0.13 H new ATOM 504 N GLU A 31 -8.462 7.207 -9.817 1.00 10.33 N ATOM 505 CA GLU A 31 -8.309 6.711 -11.192 1.00 40.43 C ATOM 506 C GLU A 31 -7.878 7.821 -12.163 1.00 13.34 C ATOM 507 O GLU A 31 -7.249 7.548 -13.190 1.00 3.22 O ATOM 508 CB GLU A 31 -9.628 6.097 -11.660 1.00 23.24 C ATOM 509 CG GLU A 31 -9.443 4.860 -12.510 1.00 62.31 C ATOM 510 CD GLU A 31 -10.758 4.249 -12.954 1.00 4.43 C ATOM 511 OE1 GLU A 31 -11.287 3.384 -12.225 1.00 71.15 O ATOM 512 OE2 GLU A 31 -11.258 4.636 -14.031 1.00 72.00 O ATOM 0 H GLU A 31 -9.385 7.035 -9.419 1.00 10.33 H new ATOM 0 HA GLU A 31 -7.522 5.957 -11.189 1.00 40.43 H new ATOM 0 HB2 GLU A 31 -10.232 5.844 -10.789 1.00 23.24 H new ATOM 0 HB3 GLU A 31 -10.185 6.841 -12.229 1.00 23.24 H new ATOM 0 HG2 GLU A 31 -8.851 5.114 -13.389 1.00 62.31 H new ATOM 0 HG3 GLU A 31 -8.875 4.119 -11.947 1.00 62.31 H new ATOM 519 N ASP A 32 -8.229 9.064 -11.817 1.00 34.23 N ATOM 520 CA ASP A 32 -7.884 10.233 -12.621 1.00 2.24 C ATOM 521 C ASP A 32 -6.525 10.821 -12.216 1.00 23.33 C ATOM 522 O ASP A 32 -5.937 11.594 -12.980 1.00 53.30 O ATOM 523 CB ASP A 32 -8.971 11.300 -12.483 1.00 52.51 C ATOM 524 CG ASP A 32 -10.235 10.946 -13.242 1.00 32.21 C ATOM 525 OD1 ASP A 32 -11.120 10.293 -12.651 1.00 41.21 O ATOM 526 OD2 ASP A 32 -10.341 11.323 -14.429 1.00 44.13 O ATOM 0 H ASP A 32 -8.759 9.284 -10.974 1.00 34.23 H new ATOM 0 HA ASP A 32 -7.813 9.911 -13.660 1.00 2.24 H new ATOM 0 HB2 ASP A 32 -9.211 11.435 -11.428 1.00 52.51 H new ATOM 0 HB3 ASP A 32 -8.588 12.253 -12.847 1.00 52.51 H new ATOM 531 N GLY A 33 -6.030 10.457 -11.018 1.00 51.42 N ATOM 532 CA GLY A 33 -4.738 10.954 -10.561 1.00 4.22 C ATOM 533 C GLY A 33 -4.849 12.000 -9.467 1.00 24.43 C ATOM 534 O GLY A 33 -3.868 12.685 -9.165 1.00 35.01 O ATOM 0 H GLY A 33 -6.503 9.831 -10.366 1.00 51.42 H new ATOM 0 HA2 GLY A 33 -4.144 10.117 -10.195 1.00 4.22 H new ATOM 0 HA3 GLY A 33 -4.200 11.380 -11.408 1.00 4.22 H new HETATM 538 N MLY A 34 -6.043 12.123 -8.872 1.00 33.34 N HETATM 539 CA MLY A 34 -6.281 13.085 -7.798 1.00 10.41 C HETATM 540 CB MLY A 34 -7.722 13.606 -7.849 1.00 31.10 C HETATM 541 CG MLY A 34 -7.958 14.646 -8.935 1.00 32.53 C HETATM 542 CD MLY A 34 -7.954 16.056 -8.367 1.00 45.44 C HETATM 543 CE MLY A 34 -8.188 17.096 -9.454 1.00 24.42 C HETATM 544 NZ MLY A 34 -8.695 18.343 -8.854 1.00 25.53 N HETATM 545 CH1 MLY A 34 -10.018 18.658 -9.415 1.00 63.25 C HETATM 546 CH2 MLY A 34 -7.766 19.445 -9.148 1.00 35.50 C HETATM 547 C MLY A 34 -5.999 12.435 -6.447 1.00 13.44 C HETATM 548 O MLY A 34 -6.681 11.480 -6.056 1.00 42.22 O HETATM 0 HH23 MLY A 34 -6.785 19.215 -8.731 1.00 35.50 H new HETATM 0 HH22 MLY A 34 -7.681 19.571 -10.227 1.00 35.50 H new HETATM 0 HH21 MLY A 34 -8.142 20.366 -8.704 1.00 35.50 H new HETATM 0 HH13 MLY A 34 -9.935 18.783 -10.495 1.00 63.25 H new HETATM 0 HH12 MLY A 34 -10.709 17.844 -9.196 1.00 63.25 H new HETATM 0 HH11 MLY A 34 -10.392 19.580 -8.970 1.00 63.25 H new HETATM 0 HG3 MLY A 34 -7.185 14.558 -9.698 1.00 32.53 H new HETATM 0 HG2 MLY A 34 -8.913 14.452 -9.424 1.00 32.53 H new HETATM 0 HE3 MLY A 34 -7.259 17.291 -9.989 1.00 24.42 H new HETATM 0 HE2 MLY A 34 -8.903 16.717 -10.185 1.00 24.42 H new HETATM 0 HD3 MLY A 34 -8.728 16.144 -7.605 1.00 45.44 H new HETATM 0 HD2 MLY A 34 -7.000 16.249 -7.877 1.00 45.44 H new HETATM 0 HB3 MLY A 34 -8.397 12.766 -8.010 1.00 31.10 H new HETATM 0 HB2 MLY A 34 -7.977 14.039 -6.882 1.00 31.10 H new HETATM 0 HA MLY A 34 -5.608 13.932 -7.931 1.00 10.41 H new HETATM 0 H MLY A 34 -6.793 11.889 -9.523 1.00 33.34 H new HETATM 565 N MLY A 35 -4.979 12.947 -5.742 1.00 11.11 N HETATM 566 CA MLY A 35 -4.589 12.407 -4.441 1.00 61.33 C HETATM 567 CB MLY A 35 -3.302 13.040 -3.939 1.00 75.25 C HETATM 568 CG MLY A 35 -2.316 12.007 -3.441 1.00 53.41 C HETATM 569 CD MLY A 35 -1.283 12.614 -2.506 1.00 45.12 C HETATM 570 CE MLY A 35 -0.055 13.058 -3.274 1.00 62.43 C HETATM 571 NZ MLY A 35 0.925 13.691 -2.369 1.00 22.02 N HETATM 572 CH1 MLY A 35 1.090 15.107 -2.735 1.00 0.41 C HETATM 573 CH2 MLY A 35 2.224 13.008 -2.484 1.00 55.25 C HETATM 574 C MLY A 35 -5.665 12.576 -3.387 1.00 41.14 C HETATM 575 O MLY A 35 -6.411 13.560 -3.384 1.00 10.14 O HETATM 0 HH23 MLY A 35 2.109 11.959 -2.213 1.00 55.25 H new HETATM 0 HH22 MLY A 35 2.583 13.080 -3.511 1.00 55.25 H new HETATM 0 HH21 MLY A 35 2.943 13.479 -1.814 1.00 55.25 H new HETATM 0 HH13 MLY A 35 1.447 15.178 -3.762 1.00 0.41 H new HETATM 0 HH12 MLY A 35 0.132 15.619 -2.647 1.00 0.41 H new HETATM 0 HH11 MLY A 35 1.814 15.574 -2.067 1.00 0.41 H new HETATM 0 HG3 MLY A 35 -2.853 11.213 -2.922 1.00 53.41 H new HETATM 0 HG2 MLY A 35 -1.811 11.548 -4.291 1.00 53.41 H new HETATM 0 HE3 MLY A 35 0.400 12.200 -3.769 1.00 62.43 H new HETATM 0 HE2 MLY A 35 -0.343 13.761 -4.056 1.00 62.43 H new HETATM 0 HD3 MLY A 35 -1.717 13.466 -1.982 1.00 45.12 H new HETATM 0 HD2 MLY A 35 -0.999 11.884 -1.748 1.00 45.12 H new HETATM 0 HB3 MLY A 35 -2.846 13.618 -4.742 1.00 75.25 H new HETATM 0 HB2 MLY A 35 -3.532 13.738 -3.134 1.00 75.25 H new HETATM 0 HA MLY A 35 -4.435 11.340 -4.602 1.00 61.33 H new HETATM 0 H MLY A 35 -4.404 13.659 -6.192 1.00 11.11 H new ATOM 592 N PHE A 36 -5.721 11.590 -2.499 1.00 13.53 N ATOM 593 CA PHE A 36 -6.683 11.576 -1.413 1.00 33.32 C ATOM 594 C PHE A 36 -6.017 11.213 -0.079 1.00 4.15 C ATOM 595 O PHE A 36 -6.649 11.332 0.976 1.00 61.44 O ATOM 596 CB PHE A 36 -7.848 10.613 -1.738 1.00 44.41 C ATOM 597 CG PHE A 36 -7.459 9.183 -2.046 1.00 74.11 C ATOM 598 CD1 PHE A 36 -7.154 8.294 -1.026 1.00 13.01 C ATOM 599 CD2 PHE A 36 -7.430 8.729 -3.353 1.00 2.42 C ATOM 600 CE1 PHE A 36 -6.828 6.981 -1.306 1.00 1.12 C ATOM 601 CE2 PHE A 36 -7.099 7.418 -3.641 1.00 50.31 C ATOM 602 CZ PHE A 36 -6.801 6.541 -2.616 1.00 32.03 C ATOM 0 H PHE A 36 -5.100 10.781 -2.515 1.00 13.53 H new ATOM 0 HA PHE A 36 -7.090 12.582 -1.307 1.00 33.32 H new ATOM 0 HB2 PHE A 36 -8.536 10.608 -0.892 1.00 44.41 H new ATOM 0 HB3 PHE A 36 -8.396 11.012 -2.592 1.00 44.41 H new ATOM 0 HD1 PHE A 36 -7.172 8.632 -0.000 1.00 13.01 H new ATOM 0 HD2 PHE A 36 -7.669 9.408 -4.158 1.00 2.42 H new ATOM 0 HE1 PHE A 36 -6.594 6.299 -0.502 1.00 1.12 H new ATOM 0 HE2 PHE A 36 -7.073 7.080 -4.666 1.00 50.31 H new ATOM 0 HZ PHE A 36 -6.548 5.515 -2.838 1.00 32.03 H new ATOM 612 N ASP A 37 -4.736 10.773 -0.123 1.00 71.54 N ATOM 613 CA ASP A 37 -4.012 10.387 1.100 1.00 12.22 C ATOM 614 C ASP A 37 -2.512 10.230 0.844 1.00 5.44 C ATOM 615 O ASP A 37 -2.075 9.317 0.133 1.00 15.20 O ATOM 616 CB ASP A 37 -4.577 9.081 1.700 1.00 35.30 C ATOM 617 CG ASP A 37 -4.315 8.956 3.192 1.00 41.23 C ATOM 618 OD1 ASP A 37 -5.286 9.031 3.974 1.00 70.34 O ATOM 619 OD2 ASP A 37 -3.139 8.788 3.576 1.00 70.24 O ATOM 0 H ASP A 37 -4.194 10.679 -0.982 1.00 71.54 H new ATOM 0 HA ASP A 37 -4.157 11.195 1.817 1.00 12.22 H new ATOM 0 HB2 ASP A 37 -5.651 9.039 1.520 1.00 35.30 H new ATOM 0 HB3 ASP A 37 -4.134 8.229 1.185 1.00 35.30 H new ATOM 624 N SER A 38 -1.747 11.148 1.425 1.00 35.14 N ATOM 625 CA SER A 38 -0.284 11.134 1.333 1.00 72.05 C ATOM 626 C SER A 38 0.343 10.948 2.714 1.00 61.33 C ATOM 627 O SER A 38 0.150 11.777 3.611 1.00 53.42 O ATOM 628 CB SER A 38 0.243 12.425 0.700 1.00 1.53 C ATOM 629 OG SER A 38 -0.483 13.558 1.151 1.00 1.21 O ATOM 0 H SER A 38 -2.119 11.924 1.973 1.00 35.14 H new ATOM 0 HA SER A 38 -0.004 10.294 0.697 1.00 72.05 H new ATOM 0 HB2 SER A 38 1.298 12.547 0.944 1.00 1.53 H new ATOM 0 HB3 SER A 38 0.173 12.355 -0.385 1.00 1.53 H new ATOM 0 HG SER A 38 -0.489 14.243 0.450 1.00 1.21 H new ATOM 635 N SER A 39 1.084 9.843 2.879 1.00 34.10 N ATOM 636 CA SER A 39 1.760 9.529 4.148 1.00 3.40 C ATOM 637 C SER A 39 3.054 10.338 4.323 1.00 71.04 C ATOM 638 O SER A 39 3.412 10.710 5.444 1.00 14.42 O ATOM 639 CB SER A 39 2.069 8.031 4.221 1.00 71.12 C ATOM 640 OG SER A 39 2.537 7.661 5.509 1.00 65.25 O ATOM 0 H SER A 39 1.231 9.148 2.147 1.00 34.10 H new ATOM 0 HA SER A 39 1.084 9.804 4.958 1.00 3.40 H new ATOM 0 HB2 SER A 39 1.172 7.461 3.981 1.00 71.12 H new ATOM 0 HB3 SER A 39 2.819 7.776 3.472 1.00 71.12 H new ATOM 0 HG SER A 39 3.324 8.198 5.738 1.00 65.25 H new ATOM 646 N ARG A 40 3.737 10.609 3.202 1.00 52.53 N ATOM 647 CA ARG A 40 5.004 11.362 3.200 1.00 1.22 C ATOM 648 C ARG A 40 4.795 12.881 3.341 1.00 23.13 C ATOM 649 O ARG A 40 5.707 13.592 3.772 1.00 22.12 O ATOM 650 CB ARG A 40 5.808 11.055 1.923 1.00 50.10 C ATOM 651 CG ARG A 40 5.058 11.359 0.633 1.00 40.44 C ATOM 652 CD ARG A 40 6.006 11.682 -0.510 1.00 34.30 C ATOM 653 NE ARG A 40 5.291 11.908 -1.771 1.00 13.41 N ATOM 654 CZ ARG A 40 5.869 12.299 -2.916 1.00 54.32 C ATOM 655 NH1 ARG A 40 7.181 12.517 -2.987 1.00 24.54 N ATOM 656 NH2 ARG A 40 5.124 12.472 -4.000 1.00 51.01 N ATOM 0 H ARG A 40 3.431 10.315 2.274 1.00 52.53 H new ATOM 0 HA ARG A 40 5.566 11.034 4.074 1.00 1.22 H new ATOM 0 HB2 ARG A 40 6.732 11.633 1.939 1.00 50.10 H new ATOM 0 HB3 ARG A 40 6.091 10.002 1.928 1.00 50.10 H new ATOM 0 HG2 ARG A 40 4.440 10.503 0.362 1.00 40.44 H new ATOM 0 HG3 ARG A 40 4.384 12.200 0.794 1.00 40.44 H new ATOM 0 HD2 ARG A 40 6.587 12.569 -0.259 1.00 34.30 H new ATOM 0 HD3 ARG A 40 6.714 10.863 -0.636 1.00 34.30 H new ATOM 0 HE ARG A 40 4.282 11.757 -1.777 1.00 13.41 H new ATOM 0 HH11 ARG A 40 7.765 12.387 -2.161 1.00 24.54 H new ATOM 0 HH12 ARG A 40 7.602 12.814 -3.867 1.00 24.54 H new ATOM 0 HH21 ARG A 40 4.118 12.308 -3.959 1.00 51.01 H new ATOM 0 HH22 ARG A 40 5.557 12.769 -4.874 1.00 51.01 H new ATOM 670 N ASP A 41 3.595 13.371 2.970 1.00 23.13 N ATOM 671 CA ASP A 41 3.264 14.807 3.061 1.00 52.45 C ATOM 672 C ASP A 41 3.303 15.297 4.512 1.00 31.20 C ATOM 673 O ASP A 41 3.517 16.485 4.771 1.00 42.45 O ATOM 674 CB ASP A 41 1.888 15.082 2.453 1.00 64.34 C ATOM 675 CG ASP A 41 1.963 15.386 0.967 1.00 34.14 C ATOM 676 OD1 ASP A 41 2.396 14.502 0.198 1.00 51.32 O ATOM 677 OD2 ASP A 41 1.586 16.510 0.573 1.00 2.32 O ATOM 0 H ASP A 41 2.839 12.793 2.604 1.00 23.13 H new ATOM 0 HA ASP A 41 4.018 15.355 2.495 1.00 52.45 H new ATOM 0 HB2 ASP A 41 1.244 14.217 2.612 1.00 64.34 H new ATOM 0 HB3 ASP A 41 1.426 15.923 2.970 1.00 64.34 H new ATOM 682 N ARG A 42 3.091 14.360 5.442 1.00 55.15 N ATOM 683 CA ARG A 42 3.130 14.644 6.877 1.00 51.54 C ATOM 684 C ARG A 42 4.547 14.405 7.414 1.00 4.45 C ATOM 685 O ARG A 42 4.813 14.573 8.609 1.00 25.12 O ATOM 686 CB ARG A 42 2.126 13.757 7.632 1.00 71.30 C ATOM 687 CG ARG A 42 0.680 13.946 7.197 1.00 51.14 C ATOM 688 CD ARG A 42 -0.289 13.341 8.200 1.00 2.40 C ATOM 689 NE ARG A 42 -1.687 13.524 7.794 1.00 12.24 N ATOM 690 CZ ARG A 42 -2.749 13.156 8.525 1.00 53.41 C ATOM 691 NH1 ARG A 42 -2.600 12.578 9.715 1.00 24.54 N ATOM 692 NH2 ARG A 42 -3.971 13.371 8.058 1.00 13.42 N ATOM 0 H ARG A 42 2.888 13.385 5.220 1.00 55.15 H new ATOM 0 HA ARG A 42 2.855 15.687 7.034 1.00 51.54 H new ATOM 0 HB2 ARG A 42 2.403 12.712 7.491 1.00 71.30 H new ATOM 0 HB3 ARG A 42 2.203 13.966 8.699 1.00 71.30 H new ATOM 0 HG2 ARG A 42 0.470 15.009 7.083 1.00 51.14 H new ATOM 0 HG3 ARG A 42 0.530 13.485 6.221 1.00 51.14 H new ATOM 0 HD2 ARG A 42 -0.080 12.277 8.309 1.00 2.40 H new ATOM 0 HD3 ARG A 42 -0.132 13.799 9.177 1.00 2.40 H new ATOM 0 HE ARG A 42 -1.864 13.963 6.890 1.00 12.24 H new ATOM 0 HH11 ARG A 42 -1.665 12.408 10.086 1.00 24.54 H new ATOM 0 HH12 ARG A 42 -3.421 12.305 10.256 1.00 24.54 H new ATOM 0 HH21 ARG A 42 -4.099 13.814 7.148 1.00 13.42 H new ATOM 0 HH22 ARG A 42 -4.784 13.094 8.609 1.00 13.42 H new ATOM 706 N ASN A 43 5.461 14.019 6.491 1.00 54.33 N ATOM 707 CA ASN A 43 6.879 13.726 6.798 1.00 4.33 C ATOM 708 C ASN A 43 7.010 12.534 7.762 1.00 11.11 C ATOM 709 O ASN A 43 7.903 12.503 8.620 1.00 34.31 O ATOM 710 CB ASN A 43 7.601 14.972 7.358 1.00 24.02 C ATOM 711 CG ASN A 43 7.766 16.066 6.319 1.00 72.44 C ATOM 712 OD1 ASN A 43 6.903 16.931 6.170 1.00 40.11 O ATOM 713 ND2 ASN A 43 8.879 16.033 5.596 1.00 53.22 N ATOM 0 H ASN A 43 5.231 13.902 5.504 1.00 54.33 H new ATOM 0 HA ASN A 43 7.365 13.451 5.862 1.00 4.33 H new ATOM 0 HB2 ASN A 43 7.039 15.363 8.206 1.00 24.02 H new ATOM 0 HB3 ASN A 43 8.582 14.681 7.733 1.00 24.02 H new ATOM 0 HD21 ASN A 43 9.045 16.743 4.883 1.00 53.22 H new ATOM 0 HD22 ASN A 43 9.568 15.297 5.753 1.00 53.22 H new HETATM 720 N MLY A 44 6.120 11.538 7.596 1.00 34.54 N HETATM 721 CA MLY A 44 6.125 10.349 8.464 1.00 24.12 C HETATM 722 CB MLY A 44 5.218 10.559 9.681 1.00 25.45 C HETATM 723 CG MLY A 44 5.892 11.340 10.797 1.00 5.24 C HETATM 724 CD MLY A 44 4.879 11.944 11.759 1.00 1.13 C HETATM 725 CE MLY A 44 5.532 12.943 12.706 1.00 34.53 C HETATM 726 NZ MLY A 44 6.124 12.234 13.855 1.00 51.05 N HETATM 727 CH1 MLY A 44 5.503 12.710 15.101 1.00 12.22 C HETATM 728 CH2 MLY A 44 7.571 12.495 13.901 1.00 50.43 C HETATM 729 C MLY A 44 5.695 9.081 7.717 1.00 2.04 C HETATM 730 O MLY A 44 4.637 9.066 7.081 1.00 74.11 O HETATM 0 HH23 MLY A 44 8.034 12.142 12.979 1.00 50.43 H new HETATM 0 HH22 MLY A 44 7.744 13.566 14.007 1.00 50.43 H new HETATM 0 HH21 MLY A 44 8.008 11.971 14.751 1.00 50.43 H new HETATM 0 HH13 MLY A 44 5.676 13.781 15.208 1.00 12.22 H new HETATM 0 HH12 MLY A 44 4.431 12.517 15.070 1.00 12.22 H new HETATM 0 HH11 MLY A 44 5.941 12.185 15.950 1.00 12.22 H new HETATM 0 HG3 MLY A 44 6.566 10.681 11.345 1.00 5.24 H new HETATM 0 HG2 MLY A 44 6.503 12.134 10.367 1.00 5.24 H new HETATM 0 HE3 MLY A 44 6.302 13.506 12.179 1.00 34.53 H new HETATM 0 HE2 MLY A 44 4.792 13.664 13.054 1.00 34.53 H new HETATM 0 HD3 MLY A 44 4.090 12.440 11.194 1.00 1.13 H new HETATM 0 HD2 MLY A 44 4.406 11.150 12.337 1.00 1.13 H new HETATM 0 HB3 MLY A 44 4.317 11.087 9.369 1.00 25.45 H new HETATM 0 HB2 MLY A 44 4.902 9.588 10.064 1.00 25.45 H new HETATM 0 HA MLY A 44 7.154 10.211 8.796 1.00 24.12 H new ATOM 747 N PRO A 45 6.519 7.989 7.785 1.00 62.03 N ATOM 748 CA PRO A 45 6.209 6.708 7.123 1.00 10.31 C ATOM 749 C PRO A 45 5.095 5.926 7.830 1.00 72.54 C ATOM 750 O PRO A 45 4.835 6.141 9.017 1.00 63.34 O ATOM 751 CB PRO A 45 7.533 5.940 7.173 1.00 65.23 C ATOM 752 CG PRO A 45 8.297 6.520 8.316 1.00 52.33 C ATOM 753 CD PRO A 45 7.823 7.937 8.494 1.00 64.14 C ATOM 0 HA PRO A 45 5.835 6.861 6.111 1.00 10.31 H new ATOM 0 HB2 PRO A 45 7.361 4.874 7.319 1.00 65.23 H new ATOM 0 HB3 PRO A 45 8.084 6.049 6.239 1.00 65.23 H new ATOM 0 HG2 PRO A 45 8.129 5.941 9.224 1.00 52.33 H new ATOM 0 HG3 PRO A 45 9.368 6.495 8.115 1.00 52.33 H new ATOM 0 HD2 PRO A 45 7.711 8.188 9.549 1.00 64.14 H new ATOM 0 HD3 PRO A 45 8.533 8.648 8.071 1.00 64.14 H new ATOM 761 N PHE A 46 4.452 5.025 7.083 1.00 52.43 N ATOM 762 CA PHE A 46 3.349 4.219 7.608 1.00 12.42 C ATOM 763 C PHE A 46 3.800 2.802 7.983 1.00 54.51 C ATOM 764 O PHE A 46 4.272 2.038 7.133 1.00 73.33 O ATOM 765 CB PHE A 46 2.222 4.169 6.571 1.00 50.23 C ATOM 766 CG PHE A 46 0.874 3.801 7.137 1.00 55.12 C ATOM 767 CD1 PHE A 46 0.047 4.765 7.694 1.00 52.33 C ATOM 768 CD2 PHE A 46 0.439 2.487 7.110 1.00 4.32 C ATOM 769 CE1 PHE A 46 -1.187 4.423 8.213 1.00 34.13 C ATOM 770 CE2 PHE A 46 -0.793 2.139 7.626 1.00 4.13 C ATOM 771 CZ PHE A 46 -1.608 3.107 8.179 1.00 10.44 C ATOM 0 H PHE A 46 4.679 4.835 6.107 1.00 52.43 H new ATOM 0 HA PHE A 46 2.988 4.689 8.523 1.00 12.42 H new ATOM 0 HB2 PHE A 46 2.146 5.143 6.087 1.00 50.23 H new ATOM 0 HB3 PHE A 46 2.487 3.448 5.798 1.00 50.23 H new ATOM 0 HD1 PHE A 46 0.371 5.795 7.722 1.00 52.33 H new ATOM 0 HD2 PHE A 46 1.072 1.725 6.680 1.00 4.32 H new ATOM 0 HE1 PHE A 46 -1.822 5.183 8.645 1.00 34.13 H new ATOM 0 HE2 PHE A 46 -1.120 1.110 7.597 1.00 4.13 H new ATOM 0 HZ PHE A 46 -2.572 2.836 8.584 1.00 10.44 H new HETATM 781 N MLY A 47 3.653 2.480 9.271 1.00 21.12 N HETATM 782 CA MLY A 47 4.010 1.163 9.810 1.00 63.34 C HETATM 783 CB MLY A 47 4.860 1.324 11.077 1.00 43.31 C HETATM 784 CG MLY A 47 5.834 2.486 10.991 1.00 32.35 C HETATM 785 CD MLY A 47 6.816 2.516 12.136 1.00 72.20 C HETATM 786 CE MLY A 47 8.027 3.335 11.742 1.00 42.23 C HETATM 787 NZ MLY A 47 8.940 3.481 12.886 1.00 35.31 N HETATM 788 CH1 MLY A 47 8.991 4.892 13.301 1.00 43.20 C HETATM 789 CH2 MLY A 47 10.286 3.038 12.498 1.00 74.45 C HETATM 790 C MLY A 47 2.749 0.363 10.127 1.00 63.22 C HETATM 791 O MLY A 47 1.820 0.888 10.747 1.00 51.34 O HETATM 0 HH23 MLY A 47 10.251 1.992 12.193 1.00 74.45 H new HETATM 0 HH22 MLY A 47 10.644 3.647 11.668 1.00 74.45 H new HETATM 0 HH21 MLY A 47 10.963 3.146 13.345 1.00 74.45 H new HETATM 0 HH13 MLY A 47 9.349 5.502 12.472 1.00 43.20 H new HETATM 0 HH12 MLY A 47 7.993 5.223 13.590 1.00 43.20 H new HETATM 0 HH11 MLY A 47 9.668 4.998 14.149 1.00 43.20 H new HETATM 0 HG3 MLY A 47 6.382 2.425 10.051 1.00 32.35 H new HETATM 0 HG2 MLY A 47 5.275 3.422 10.974 1.00 32.35 H new HETATM 0 HE3 MLY A 47 8.546 2.853 10.913 1.00 42.23 H new HETATM 0 HE2 MLY A 47 7.711 4.318 11.392 1.00 42.23 H new HETATM 0 HD3 MLY A 47 6.346 2.945 13.021 1.00 72.20 H new HETATM 0 HD2 MLY A 47 7.119 1.502 12.396 1.00 72.20 H new HETATM 0 HB3 MLY A 47 4.202 1.470 11.934 1.00 43.31 H new HETATM 0 HB2 MLY A 47 5.415 0.403 11.255 1.00 43.31 H new HETATM 0 HA MLY A 47 4.590 0.624 9.060 1.00 63.34 H new HETATM 0 H MLY A 47 3.971 3.327 9.742 1.00 21.12 H new ATOM 808 N PHE A 48 2.725 -0.909 9.698 1.00 63.04 N ATOM 809 CA PHE A 48 1.569 -1.791 9.926 1.00 23.12 C ATOM 810 C PHE A 48 2.001 -3.261 10.050 1.00 45.43 C ATOM 811 O PHE A 48 3.124 -3.616 9.683 1.00 53.22 O ATOM 812 CB PHE A 48 0.531 -1.621 8.789 1.00 60.34 C ATOM 813 CG PHE A 48 0.995 -2.089 7.430 1.00 23.12 C ATOM 814 CD1 PHE A 48 1.792 -1.283 6.630 1.00 65.44 C ATOM 815 CD2 PHE A 48 0.631 -3.340 6.961 1.00 64.54 C ATOM 816 CE1 PHE A 48 2.214 -1.719 5.388 1.00 53.32 C ATOM 817 CE2 PHE A 48 1.049 -3.781 5.722 1.00 73.33 C ATOM 818 CZ PHE A 48 1.841 -2.969 4.934 1.00 3.21 C ATOM 0 H PHE A 48 3.493 -1.350 9.191 1.00 63.04 H new ATOM 0 HA PHE A 48 1.106 -1.502 10.870 1.00 23.12 H new ATOM 0 HB2 PHE A 48 -0.373 -2.168 9.057 1.00 60.34 H new ATOM 0 HB3 PHE A 48 0.257 -0.568 8.721 1.00 60.34 H new ATOM 0 HD1 PHE A 48 2.086 -0.305 6.981 1.00 65.44 H new ATOM 0 HD2 PHE A 48 0.012 -3.979 7.573 1.00 64.54 H new ATOM 0 HE1 PHE A 48 2.834 -1.083 4.774 1.00 53.32 H new ATOM 0 HE2 PHE A 48 0.757 -4.759 5.369 1.00 73.33 H new ATOM 0 HZ PHE A 48 2.168 -3.311 3.963 1.00 3.21 H new ATOM 828 N MET A 49 1.094 -4.102 10.563 1.00 33.23 N ATOM 829 CA MET A 49 1.358 -5.529 10.727 1.00 71.14 C ATOM 830 C MET A 49 0.549 -6.348 9.726 1.00 22.43 C ATOM 831 O MET A 49 -0.647 -6.106 9.539 1.00 41.24 O ATOM 832 CB MET A 49 1.016 -5.973 12.148 1.00 22.35 C ATOM 833 CG MET A 49 2.222 -6.114 13.054 1.00 60.11 C ATOM 834 SD MET A 49 1.761 -6.317 14.783 1.00 51.55 S ATOM 835 CE MET A 49 3.373 -6.523 15.528 1.00 63.41 C ATOM 0 H MET A 49 0.166 -3.812 10.872 1.00 33.23 H new ATOM 0 HA MET A 49 2.419 -5.699 10.543 1.00 71.14 H new ATOM 0 HB2 MET A 49 0.326 -5.252 12.587 1.00 22.35 H new ATOM 0 HB3 MET A 49 0.493 -6.928 12.104 1.00 22.35 H new ATOM 0 HG2 MET A 49 2.814 -6.972 12.735 1.00 60.11 H new ATOM 0 HG3 MET A 49 2.856 -5.233 12.951 1.00 60.11 H new ATOM 0 HE1 MET A 49 3.358 -7.384 16.196 1.00 63.41 H new ATOM 0 HE2 MET A 49 4.117 -6.682 14.747 1.00 63.41 H new ATOM 0 HE3 MET A 49 3.629 -5.628 16.096 1.00 63.41 H new ATOM 845 N LEU A 50 1.217 -7.317 9.088 1.00 22.40 N ATOM 846 CA LEU A 50 0.584 -8.202 8.103 1.00 23.24 C ATOM 847 C LEU A 50 -0.215 -9.311 8.776 1.00 71.40 C ATOM 848 O LEU A 50 0.218 -9.876 9.785 1.00 63.44 O ATOM 849 CB LEU A 50 1.650 -8.839 7.192 1.00 74.22 C ATOM 850 CG LEU A 50 1.892 -8.200 5.809 1.00 62.03 C ATOM 851 CD1 LEU A 50 0.600 -8.007 5.032 1.00 23.44 C ATOM 852 CD2 LEU A 50 2.661 -6.891 5.935 1.00 72.11 C ATOM 0 H LEU A 50 2.207 -7.509 9.239 1.00 22.40 H new ATOM 0 HA LEU A 50 -0.096 -7.590 7.511 1.00 23.24 H new ATOM 0 HB2 LEU A 50 2.597 -8.836 7.732 1.00 74.22 H new ATOM 0 HB3 LEU A 50 1.376 -9.882 7.035 1.00 74.22 H new ATOM 0 HG LEU A 50 2.505 -8.898 5.238 1.00 62.03 H new ATOM 0 HD11 LEU A 50 0.821 -7.554 4.065 1.00 23.44 H new ATOM 0 HD12 LEU A 50 0.120 -8.973 4.879 1.00 23.44 H new ATOM 0 HD13 LEU A 50 -0.068 -7.355 5.594 1.00 23.44 H new ATOM 0 HD21 LEU A 50 2.817 -6.464 4.944 1.00 72.11 H new ATOM 0 HD22 LEU A 50 2.091 -6.191 6.546 1.00 72.11 H new ATOM 0 HD23 LEU A 50 3.626 -7.080 6.405 1.00 72.11 H new ATOM 864 N GLY A 51 -1.385 -9.608 8.201 1.00 35.24 N ATOM 865 CA GLY A 51 -2.256 -10.650 8.733 1.00 71.31 C ATOM 866 C GLY A 51 -3.114 -10.182 9.904 1.00 50.01 C ATOM 867 O GLY A 51 -4.031 -10.896 10.324 1.00 31.34 O ATOM 0 H GLY A 51 -1.746 -9.140 7.370 1.00 35.24 H new ATOM 0 HA2 GLY A 51 -2.907 -11.011 7.937 1.00 71.31 H new ATOM 0 HA3 GLY A 51 -1.646 -11.495 9.054 1.00 71.31 H new HETATM 871 N MLY A 52 -2.813 -8.982 10.428 1.00 22.42 N HETATM 872 CA MLY A 52 -3.564 -8.399 11.547 1.00 50.33 C HETATM 873 CB MLY A 52 -2.683 -7.437 12.369 1.00 33.52 C HETATM 874 CG MLY A 52 -1.564 -8.101 13.176 1.00 64.24 C HETATM 875 CD MLY A 52 -2.092 -9.082 14.220 1.00 72.22 C HETATM 876 CE MLY A 52 -1.062 -9.349 15.309 1.00 30.34 C HETATM 877 NZ MLY A 52 -1.305 -10.669 15.915 1.00 33.24 N HETATM 878 CH1 MLY A 52 -1.573 -10.511 17.353 1.00 11.24 C HETATM 879 CH2 MLY A 52 -0.119 -11.521 15.731 1.00 42.22 C HETATM 880 C MLY A 52 -4.797 -7.653 11.037 1.00 12.24 C HETATM 881 O MLY A 52 -5.688 -7.301 11.815 1.00 14.32 O HETATM 0 HH23 MLY A 52 0.080 -11.642 14.666 1.00 42.22 H new HETATM 0 HH22 MLY A 52 0.742 -11.055 16.211 1.00 42.22 H new HETATM 0 HH21 MLY A 52 -0.300 -12.498 16.180 1.00 42.22 H new HETATM 0 HH13 MLY A 52 -0.713 -10.045 17.834 1.00 11.24 H new HETATM 0 HH12 MLY A 52 -2.452 -9.882 17.492 1.00 11.24 H new HETATM 0 HH11 MLY A 52 -1.753 -11.489 17.799 1.00 11.24 H new HETATM 0 HG3 MLY A 52 -0.894 -8.627 12.496 1.00 64.24 H new HETATM 0 HG2 MLY A 52 -0.974 -7.331 13.673 1.00 64.24 H new HETATM 0 HE3 MLY A 52 -0.057 -9.312 14.888 1.00 30.34 H new HETATM 0 HE2 MLY A 52 -1.117 -8.573 16.072 1.00 30.34 H new HETATM 0 HD3 MLY A 52 -3.001 -8.682 14.669 1.00 72.22 H new HETATM 0 HD2 MLY A 52 -2.361 -10.020 13.735 1.00 72.22 H new HETATM 0 HB3 MLY A 52 -2.237 -6.710 11.690 1.00 33.52 H new HETATM 0 HB2 MLY A 52 -3.323 -6.882 13.055 1.00 33.52 H new HETATM 0 HA MLY A 52 -3.881 -9.219 12.192 1.00 50.33 H new HETATM 0 H MLY A 52 -1.835 -8.729 10.283 1.00 22.42 H new ATOM 898 N GLN A 53 -4.823 -7.416 9.708 1.00 64.22 N ATOM 899 CA GLN A 53 -5.934 -6.723 9.008 1.00 1.55 C ATOM 900 C GLN A 53 -6.000 -5.225 9.362 1.00 54.20 C ATOM 901 O GLN A 53 -7.076 -4.611 9.345 1.00 41.22 O ATOM 902 CB GLN A 53 -7.295 -7.413 9.269 1.00 51.25 C ATOM 903 CG GLN A 53 -7.364 -8.849 8.767 1.00 51.21 C ATOM 904 CD GLN A 53 -8.784 -9.376 8.700 1.00 32.32 C ATOM 905 OE1 GLN A 53 -9.459 -9.245 7.679 1.00 62.40 O ATOM 906 NE2 GLN A 53 -9.244 -9.976 9.791 1.00 1.32 N ATOM 0 H GLN A 53 -4.069 -7.701 9.083 1.00 64.22 H new ATOM 0 HA GLN A 53 -5.721 -6.796 7.942 1.00 1.55 H new ATOM 0 HB2 GLN A 53 -7.497 -7.403 10.340 1.00 51.25 H new ATOM 0 HB3 GLN A 53 -8.084 -6.833 8.790 1.00 51.25 H new ATOM 0 HG2 GLN A 53 -6.912 -8.906 7.777 1.00 51.21 H new ATOM 0 HG3 GLN A 53 -6.774 -9.488 9.424 1.00 51.21 H new ATOM 0 HE21 GLN A 53 -8.649 -10.062 10.615 1.00 1.32 H new ATOM 0 HE22 GLN A 53 -10.192 -10.351 9.805 1.00 1.32 H new ATOM 915 N GLU A 54 -4.829 -4.640 9.658 1.00 41.31 N ATOM 916 CA GLU A 54 -4.719 -3.211 9.995 1.00 72.24 C ATOM 917 C GLU A 54 -4.742 -2.349 8.729 1.00 75.25 C ATOM 918 O GLU A 54 -4.877 -1.123 8.799 1.00 34.30 O ATOM 919 CB GLU A 54 -3.426 -2.939 10.771 1.00 53.34 C ATOM 920 CG GLU A 54 -3.434 -3.479 12.191 1.00 11.31 C ATOM 921 CD GLU A 54 -2.157 -3.163 12.944 1.00 20.35 C ATOM 922 OE1 GLU A 54 -2.099 -2.098 13.594 1.00 44.02 O ATOM 923 OE2 GLU A 54 -1.214 -3.980 12.883 1.00 15.22 O ATOM 0 H GLU A 54 -3.939 -5.138 9.671 1.00 41.31 H new ATOM 0 HA GLU A 54 -5.575 -2.950 10.618 1.00 72.24 H new ATOM 0 HB2 GLU A 54 -2.589 -3.381 10.230 1.00 53.34 H new ATOM 0 HB3 GLU A 54 -3.253 -1.863 10.803 1.00 53.34 H new ATOM 0 HG2 GLU A 54 -4.283 -3.058 12.731 1.00 11.31 H new ATOM 0 HG3 GLU A 54 -3.577 -4.559 12.164 1.00 11.31 H new ATOM 930 N VAL A 55 -4.614 -3.017 7.579 1.00 22.22 N ATOM 931 CA VAL A 55 -4.608 -2.356 6.273 1.00 23.14 C ATOM 932 C VAL A 55 -5.575 -3.061 5.306 1.00 5.11 C ATOM 933 O VAL A 55 -6.260 -4.013 5.695 1.00 74.45 O ATOM 934 CB VAL A 55 -3.163 -2.282 5.678 1.00 71.05 C ATOM 935 CG1 VAL A 55 -2.299 -1.337 6.507 1.00 61.41 C ATOM 936 CG2 VAL A 55 -2.495 -3.658 5.583 1.00 43.13 C ATOM 0 H VAL A 55 -4.512 -4.031 7.528 1.00 22.22 H new ATOM 0 HA VAL A 55 -4.954 -1.332 6.411 1.00 23.14 H new ATOM 0 HB VAL A 55 -3.256 -1.898 4.662 1.00 71.05 H new ATOM 0 HG11 VAL A 55 -1.296 -1.294 6.083 1.00 61.41 H new ATOM 0 HG12 VAL A 55 -2.739 -0.340 6.499 1.00 61.41 H new ATOM 0 HG13 VAL A 55 -2.244 -1.701 7.533 1.00 61.41 H new ATOM 0 HG21 VAL A 55 -1.495 -3.549 5.164 1.00 43.13 H new ATOM 0 HG22 VAL A 55 -2.425 -4.098 6.578 1.00 43.13 H new ATOM 0 HG23 VAL A 55 -3.089 -4.307 4.940 1.00 43.13 H new ATOM 946 N ILE A 56 -5.625 -2.590 4.051 1.00 52.14 N ATOM 947 CA ILE A 56 -6.515 -3.170 3.031 1.00 1.25 C ATOM 948 C ILE A 56 -5.943 -4.464 2.435 1.00 22.44 C ATOM 949 O ILE A 56 -4.738 -4.716 2.521 1.00 40.42 O ATOM 950 CB ILE A 56 -6.853 -2.159 1.896 1.00 14.41 C ATOM 951 CG1 ILE A 56 -5.610 -1.370 1.421 1.00 4.24 C ATOM 952 CG2 ILE A 56 -7.945 -1.209 2.381 1.00 53.42 C ATOM 953 CD1 ILE A 56 -5.784 -0.680 0.077 1.00 34.03 C ATOM 0 H ILE A 56 -5.060 -1.809 3.717 1.00 52.14 H new ATOM 0 HA ILE A 56 -7.442 -3.414 3.549 1.00 1.25 H new ATOM 0 HB ILE A 56 -7.209 -2.722 1.033 1.00 14.41 H new ATOM 0 HG12 ILE A 56 -5.361 -0.620 2.172 1.00 4.24 H new ATOM 0 HG13 ILE A 56 -4.762 -2.053 1.359 1.00 4.24 H new ATOM 0 HG21 ILE A 56 -8.186 -0.498 1.591 1.00 53.42 H new ATOM 0 HG22 ILE A 56 -8.836 -1.781 2.639 1.00 53.42 H new ATOM 0 HG23 ILE A 56 -7.593 -0.669 3.260 1.00 53.42 H new ATOM 0 HD11 ILE A 56 -4.867 -0.150 -0.181 1.00 34.03 H new ATOM 0 HD12 ILE A 56 -6.001 -1.425 -0.689 1.00 34.03 H new ATOM 0 HD13 ILE A 56 -6.609 0.030 0.137 1.00 34.03 H new ATOM 965 N ARG A 57 -6.830 -5.275 1.830 1.00 73.41 N ATOM 966 CA ARG A 57 -6.451 -6.561 1.219 1.00 3.13 C ATOM 967 C ARG A 57 -5.420 -6.378 0.100 1.00 73.31 C ATOM 968 O ARG A 57 -4.442 -7.128 0.023 1.00 3.15 O ATOM 969 CB ARG A 57 -7.698 -7.273 0.680 1.00 41.00 C ATOM 970 CG ARG A 57 -7.586 -8.790 0.685 1.00 54.31 C ATOM 971 CD ARG A 57 -8.914 -9.444 0.346 1.00 33.13 C ATOM 972 NE ARG A 57 -8.878 -10.898 0.539 1.00 45.05 N ATOM 973 CZ ARG A 57 -9.941 -11.709 0.441 1.00 12.11 C ATOM 974 NH1 ARG A 57 -11.149 -11.229 0.151 1.00 21.43 N ATOM 975 NH2 ARG A 57 -9.791 -13.011 0.637 1.00 4.55 N ATOM 0 H ARG A 57 -7.824 -5.059 1.751 1.00 73.41 H new ATOM 0 HA ARG A 57 -5.990 -7.174 1.993 1.00 3.13 H new ATOM 0 HB2 ARG A 57 -8.560 -6.979 1.278 1.00 41.00 H new ATOM 0 HB3 ARG A 57 -7.887 -6.935 -0.339 1.00 41.00 H new ATOM 0 HG2 ARG A 57 -6.830 -9.103 -0.035 1.00 54.31 H new ATOM 0 HG3 ARG A 57 -7.252 -9.129 1.666 1.00 54.31 H new ATOM 0 HD2 ARG A 57 -9.698 -9.015 0.970 1.00 33.13 H new ATOM 0 HD3 ARG A 57 -9.173 -9.222 -0.689 1.00 33.13 H new ATOM 0 HE ARG A 57 -7.978 -11.323 0.764 1.00 45.05 H new ATOM 0 HH11 ARG A 57 -11.277 -10.229 -0.001 1.00 21.43 H new ATOM 0 HH12 ARG A 57 -11.946 -11.862 0.081 1.00 21.43 H new ATOM 0 HH21 ARG A 57 -8.871 -13.390 0.861 1.00 4.55 H new ATOM 0 HH22 ARG A 57 -10.596 -13.634 0.564 1.00 4.55 H new ATOM 989 N GLY A 58 -5.653 -5.376 -0.761 1.00 75.12 N ATOM 990 CA GLY A 58 -4.736 -5.075 -1.861 1.00 3.21 C ATOM 991 C GLY A 58 -3.340 -4.662 -1.396 1.00 15.14 C ATOM 992 O GLY A 58 -2.380 -4.751 -2.166 1.00 21.04 O ATOM 0 H GLY A 58 -6.468 -4.764 -0.714 1.00 75.12 H new ATOM 0 HA2 GLY A 58 -4.652 -5.952 -2.503 1.00 3.21 H new ATOM 0 HA3 GLY A 58 -5.160 -4.275 -2.468 1.00 3.21 H new ATOM 996 N TRP A 59 -3.234 -4.210 -0.131 1.00 34.52 N ATOM 997 CA TRP A 59 -1.949 -3.806 0.450 1.00 11.53 C ATOM 998 C TRP A 59 -1.189 -5.009 0.999 1.00 15.11 C ATOM 999 O TRP A 59 0.013 -5.131 0.780 1.00 30.32 O ATOM 1000 CB TRP A 59 -2.140 -2.777 1.572 1.00 30.13 C ATOM 1001 CG TRP A 59 -2.152 -1.333 1.117 1.00 24.41 C ATOM 1002 CD1 TRP A 59 -2.448 -0.850 -0.132 1.00 50.03 C ATOM 1003 CD2 TRP A 59 -1.850 -0.182 1.922 1.00 23.30 C ATOM 1004 NE1 TRP A 59 -2.355 0.519 -0.146 1.00 12.30 N ATOM 1005 CE2 TRP A 59 -1.990 0.953 1.100 1.00 64.24 C ATOM 1006 CE3 TRP A 59 -1.478 0.001 3.260 1.00 10.45 C ATOM 1007 CZ2 TRP A 59 -1.773 2.245 1.570 1.00 44.24 C ATOM 1008 CZ3 TRP A 59 -1.263 1.283 3.723 1.00 4.50 C ATOM 1009 CH2 TRP A 59 -1.412 2.390 2.881 1.00 20.34 C ATOM 0 H TRP A 59 -4.027 -4.117 0.504 1.00 34.52 H new ATOM 0 HA TRP A 59 -1.369 -3.351 -0.353 1.00 11.53 H new ATOM 0 HB2 TRP A 59 -3.079 -2.989 2.084 1.00 30.13 H new ATOM 0 HB3 TRP A 59 -1.342 -2.906 2.303 1.00 30.13 H new ATOM 0 HD1 TRP A 59 -2.716 -1.460 -0.982 1.00 50.03 H new ATOM 0 HE1 TRP A 59 -2.530 1.117 -0.954 1.00 12.30 H new ATOM 0 HE3 TRP A 59 -1.361 -0.847 3.918 1.00 10.45 H new ATOM 0 HZ2 TRP A 59 -1.886 3.102 0.923 1.00 44.24 H new ATOM 0 HZ3 TRP A 59 -0.975 1.434 4.753 1.00 4.50 H new ATOM 0 HH2 TRP A 59 -1.238 3.381 3.275 1.00 20.34 H new ATOM 1020 N GLU A 60 -1.907 -5.902 1.701 1.00 64.02 N ATOM 1021 CA GLU A 60 -1.302 -7.105 2.297 1.00 11.50 C ATOM 1022 C GLU A 60 -0.804 -8.078 1.222 1.00 31.21 C ATOM 1023 O GLU A 60 0.241 -8.714 1.389 1.00 2.33 O ATOM 1024 CB GLU A 60 -2.302 -7.824 3.221 1.00 15.25 C ATOM 1025 CG GLU A 60 -2.822 -6.963 4.362 1.00 64.33 C ATOM 1026 CD GLU A 60 -3.507 -7.776 5.443 1.00 71.32 C ATOM 1027 OE1 GLU A 60 -2.868 -8.036 6.483 1.00 12.21 O ATOM 1028 OE2 GLU A 60 -4.681 -8.153 5.248 1.00 23.02 O ATOM 0 H GLU A 60 -2.909 -5.813 1.870 1.00 64.02 H new ATOM 0 HA GLU A 60 -0.446 -6.774 2.885 1.00 11.50 H new ATOM 0 HB2 GLU A 60 -3.147 -8.169 2.626 1.00 15.25 H new ATOM 0 HB3 GLU A 60 -1.823 -8.710 3.638 1.00 15.25 H new ATOM 0 HG2 GLU A 60 -1.992 -6.409 4.801 1.00 64.33 H new ATOM 0 HG3 GLU A 60 -3.523 -6.228 3.967 1.00 64.33 H new ATOM 1035 N GLU A 61 -1.566 -8.180 0.126 1.00 13.22 N ATOM 1036 CA GLU A 61 -1.219 -9.059 -0.998 1.00 4.04 C ATOM 1037 C GLU A 61 -0.246 -8.380 -1.970 1.00 23.14 C ATOM 1038 O GLU A 61 0.510 -9.061 -2.666 1.00 64.00 O ATOM 1039 CB GLU A 61 -2.486 -9.490 -1.751 1.00 12.20 C ATOM 1040 CG GLU A 61 -3.351 -10.498 -0.999 1.00 33.24 C ATOM 1041 CD GLU A 61 -2.825 -11.920 -1.095 1.00 73.22 C ATOM 1042 OE1 GLU A 61 -3.220 -12.637 -2.039 1.00 24.44 O ATOM 1043 OE2 GLU A 61 -2.019 -12.315 -0.227 1.00 21.23 O ATOM 0 H GLU A 61 -2.434 -7.660 -0.007 1.00 13.22 H new ATOM 0 HA GLU A 61 -0.725 -9.938 -0.583 1.00 4.04 H new ATOM 0 HB2 GLU A 61 -3.085 -8.605 -1.967 1.00 12.20 H new ATOM 0 HB3 GLU A 61 -2.196 -9.921 -2.709 1.00 12.20 H new ATOM 0 HG2 GLU A 61 -3.408 -10.208 0.050 1.00 33.24 H new ATOM 0 HG3 GLU A 61 -4.366 -10.464 -1.395 1.00 33.24 H new ATOM 1050 N GLY A 62 -0.271 -7.037 -2.000 1.00 2.32 N ATOM 1051 CA GLY A 62 0.597 -6.272 -2.893 1.00 34.53 C ATOM 1052 C GLY A 62 1.966 -5.958 -2.303 1.00 41.44 C ATOM 1053 O GLY A 62 2.985 -6.138 -2.977 1.00 71.54 O ATOM 0 H GLY A 62 -0.882 -6.466 -1.416 1.00 2.32 H new ATOM 0 HA2 GLY A 62 0.731 -6.830 -3.820 1.00 34.53 H new ATOM 0 HA3 GLY A 62 0.101 -5.337 -3.153 1.00 34.53 H new ATOM 1057 N VAL A 63 1.989 -5.488 -1.043 1.00 13.21 N ATOM 1058 CA VAL A 63 3.242 -5.134 -0.343 1.00 21.10 C ATOM 1059 C VAL A 63 4.155 -6.363 -0.148 1.00 62.21 C ATOM 1060 O VAL A 63 5.376 -6.230 -0.024 1.00 10.30 O ATOM 1061 CB VAL A 63 2.935 -4.448 1.029 1.00 1.44 C ATOM 1062 CG1 VAL A 63 2.613 -5.458 2.136 1.00 73.30 C ATOM 1063 CG2 VAL A 63 4.081 -3.535 1.447 1.00 1.13 C ATOM 0 H VAL A 63 1.149 -5.343 -0.483 1.00 13.21 H new ATOM 0 HA VAL A 63 3.779 -4.425 -0.972 1.00 21.10 H new ATOM 0 HB VAL A 63 2.040 -3.844 0.884 1.00 1.44 H new ATOM 0 HG11 VAL A 63 2.408 -4.926 3.065 1.00 73.30 H new ATOM 0 HG12 VAL A 63 1.738 -6.042 1.852 1.00 73.30 H new ATOM 0 HG13 VAL A 63 3.464 -6.124 2.279 1.00 73.30 H new ATOM 0 HG21 VAL A 63 3.845 -3.069 2.404 1.00 1.13 H new ATOM 0 HG22 VAL A 63 4.995 -4.120 1.544 1.00 1.13 H new ATOM 0 HG23 VAL A 63 4.224 -2.762 0.692 1.00 1.13 H new ATOM 1073 N ALA A 64 3.530 -7.544 -0.127 1.00 31.45 N ATOM 1074 CA ALA A 64 4.234 -8.819 0.041 1.00 31.03 C ATOM 1075 C ALA A 64 4.952 -9.244 -1.248 1.00 33.41 C ATOM 1076 O ALA A 64 5.722 -10.210 -1.252 1.00 20.51 O ATOM 1077 CB ALA A 64 3.248 -9.891 0.478 1.00 31.20 C ATOM 0 H ALA A 64 2.520 -7.643 -0.226 1.00 31.45 H new ATOM 0 HA ALA A 64 4.996 -8.690 0.810 1.00 31.03 H new ATOM 0 HB1 ALA A 64 3.772 -10.838 0.603 1.00 31.20 H new ATOM 0 HB2 ALA A 64 2.792 -9.602 1.425 1.00 31.20 H new ATOM 0 HB3 ALA A 64 2.472 -10.002 -0.280 1.00 31.20 H new ATOM 1083 N GLN A 65 4.691 -8.501 -2.332 1.00 10.14 N ATOM 1084 CA GLN A 65 5.294 -8.767 -3.641 1.00 4.44 C ATOM 1085 C GLN A 65 6.587 -7.961 -3.832 1.00 1.34 C ATOM 1086 O GLN A 65 7.343 -8.209 -4.777 1.00 54.10 O ATOM 1087 CB GLN A 65 4.300 -8.425 -4.764 1.00 23.01 C ATOM 1088 CG GLN A 65 2.906 -9.018 -4.563 1.00 41.22 C ATOM 1089 CD GLN A 65 1.943 -8.711 -5.700 1.00 21.44 C ATOM 1090 OE1 GLN A 65 2.327 -8.647 -6.871 1.00 10.20 O ATOM 1091 NE2 GLN A 65 0.675 -8.511 -5.354 1.00 4.02 N ATOM 0 H GLN A 65 4.058 -7.701 -2.324 1.00 10.14 H new ATOM 0 HA GLN A 65 5.540 -9.828 -3.685 1.00 4.44 H new ATOM 0 HB2 GLN A 65 4.215 -7.341 -4.842 1.00 23.01 H new ATOM 0 HB3 GLN A 65 4.702 -8.782 -5.712 1.00 23.01 H new ATOM 0 HG2 GLN A 65 2.993 -10.099 -4.453 1.00 41.22 H new ATOM 0 HG3 GLN A 65 2.489 -8.636 -3.631 1.00 41.22 H new ATOM 0 HE21 GLN A 65 0.398 -8.573 -4.374 1.00 4.02 H new ATOM 0 HE22 GLN A 65 -0.021 -8.296 -6.068 1.00 4.02 H new ATOM 1100 N MET A 66 6.830 -7.004 -2.925 1.00 51.30 N ATOM 1101 CA MET A 66 8.020 -6.150 -2.983 1.00 45.42 C ATOM 1102 C MET A 66 9.023 -6.535 -1.895 1.00 14.24 C ATOM 1103 O MET A 66 8.648 -7.111 -0.869 1.00 42.21 O ATOM 1104 CB MET A 66 7.660 -4.657 -2.844 1.00 54.20 C ATOM 1105 CG MET A 66 6.176 -4.339 -2.667 1.00 71.10 C ATOM 1106 SD MET A 66 5.759 -2.636 -3.115 1.00 71.25 S ATOM 1107 CE MET A 66 6.891 -1.696 -2.087 1.00 23.31 C ATOM 0 H MET A 66 6.212 -6.803 -2.139 1.00 51.30 H new ATOM 0 HA MET A 66 8.473 -6.306 -3.962 1.00 45.42 H new ATOM 0 HB2 MET A 66 8.202 -4.251 -1.990 1.00 54.20 H new ATOM 0 HB3 MET A 66 8.020 -4.133 -3.729 1.00 54.20 H new ATOM 0 HG2 MET A 66 5.588 -5.024 -3.278 1.00 71.10 H new ATOM 0 HG3 MET A 66 5.894 -4.515 -1.629 1.00 71.10 H new ATOM 0 HE1 MET A 66 6.706 -0.630 -2.222 1.00 23.31 H new ATOM 0 HE2 MET A 66 6.738 -1.961 -1.041 1.00 23.31 H new ATOM 0 HE3 MET A 66 7.918 -1.925 -2.373 1.00 23.31 H new ATOM 1117 N SER A 67 10.297 -6.199 -2.131 1.00 4.44 N ATOM 1118 CA SER A 67 11.379 -6.499 -1.190 1.00 50.24 C ATOM 1119 C SER A 67 11.916 -5.212 -0.558 1.00 5.23 C ATOM 1120 O SER A 67 11.622 -4.118 -1.040 1.00 51.25 O ATOM 1121 CB SER A 67 12.508 -7.247 -1.910 1.00 21.11 C ATOM 1122 OG SER A 67 12.896 -6.571 -3.094 1.00 40.45 O ATOM 0 H SER A 67 10.604 -5.715 -2.975 1.00 4.44 H new ATOM 0 HA SER A 67 10.983 -7.132 -0.396 1.00 50.24 H new ATOM 0 HB2 SER A 67 13.366 -7.343 -1.245 1.00 21.11 H new ATOM 0 HB3 SER A 67 12.180 -8.257 -2.155 1.00 21.11 H new ATOM 0 HG SER A 67 12.481 -7.004 -3.869 1.00 40.45 H new ATOM 1128 N VAL A 68 12.714 -5.353 0.518 1.00 33.02 N ATOM 1129 CA VAL A 68 13.307 -4.206 1.237 1.00 53.10 C ATOM 1130 C VAL A 68 14.125 -3.313 0.286 1.00 12.43 C ATOM 1131 O VAL A 68 15.054 -3.782 -0.377 1.00 21.20 O ATOM 1132 CB VAL A 68 14.197 -4.686 2.428 1.00 34.11 C ATOM 1133 CG1 VAL A 68 14.994 -3.541 3.052 1.00 30.52 C ATOM 1134 CG2 VAL A 68 13.344 -5.358 3.496 1.00 13.21 C ATOM 0 H VAL A 68 12.965 -6.259 0.912 1.00 33.02 H new ATOM 0 HA VAL A 68 12.485 -3.614 1.639 1.00 53.10 H new ATOM 0 HB VAL A 68 14.908 -5.405 2.022 1.00 34.11 H new ATOM 0 HG11 VAL A 68 15.597 -3.924 3.875 1.00 30.52 H new ATOM 0 HG12 VAL A 68 15.647 -3.099 2.299 1.00 30.52 H new ATOM 0 HG13 VAL A 68 14.308 -2.782 3.427 1.00 30.52 H new ATOM 0 HG21 VAL A 68 13.981 -5.686 4.317 1.00 13.21 H new ATOM 0 HG22 VAL A 68 12.605 -4.650 3.870 1.00 13.21 H new ATOM 0 HG23 VAL A 68 12.835 -6.220 3.066 1.00 13.21 H new ATOM 1144 N GLY A 69 13.751 -2.029 0.238 1.00 54.02 N ATOM 1145 CA GLY A 69 14.426 -1.065 -0.622 1.00 71.34 C ATOM 1146 C GLY A 69 13.805 -0.961 -2.009 1.00 5.22 C ATOM 1147 O GLY A 69 14.327 -0.245 -2.869 1.00 23.21 O ATOM 0 H GLY A 69 12.984 -1.639 0.786 1.00 54.02 H new ATOM 0 HA2 GLY A 69 14.403 -0.085 -0.146 1.00 71.34 H new ATOM 0 HA3 GLY A 69 15.474 -1.347 -0.720 1.00 71.34 H new ATOM 1151 N GLN A 70 12.690 -1.676 -2.223 1.00 55.02 N ATOM 1152 CA GLN A 70 11.998 -1.674 -3.513 1.00 4.10 C ATOM 1153 C GLN A 70 10.846 -0.669 -3.524 1.00 65.14 C ATOM 1154 O GLN A 70 10.142 -0.499 -2.524 1.00 64.15 O ATOM 1155 CB GLN A 70 11.467 -3.077 -3.842 1.00 54.10 C ATOM 1156 CG GLN A 70 11.223 -3.311 -5.328 1.00 53.24 C ATOM 1157 CD GLN A 70 10.479 -4.600 -5.612 1.00 75.44 C ATOM 1158 OE1 GLN A 70 11.081 -5.670 -5.712 1.00 62.23 O ATOM 1159 NE2 GLN A 70 9.164 -4.501 -5.763 1.00 4.25 N ATOM 0 H GLN A 70 12.250 -2.263 -1.514 1.00 55.02 H new ATOM 0 HA GLN A 70 12.720 -1.377 -4.274 1.00 4.10 H new ATOM 0 HB2 GLN A 70 12.179 -3.819 -3.479 1.00 54.10 H new ATOM 0 HB3 GLN A 70 10.535 -3.238 -3.301 1.00 54.10 H new ATOM 0 HG2 GLN A 70 10.655 -2.474 -5.733 1.00 53.24 H new ATOM 0 HG3 GLN A 70 12.180 -3.329 -5.849 1.00 53.24 H new ATOM 0 HE21 GLN A 70 8.707 -3.594 -5.671 1.00 4.25 H new ATOM 0 HE22 GLN A 70 8.610 -5.332 -5.971 1.00 4.25 H new ATOM 1168 N ARG A 71 10.679 -0.013 -4.672 1.00 33.42 N ATOM 1169 CA ARG A 71 9.613 0.966 -4.874 1.00 34.40 C ATOM 1170 C ARG A 71 8.712 0.507 -6.027 1.00 60.34 C ATOM 1171 O ARG A 71 9.118 0.533 -7.194 1.00 3.51 O ATOM 1172 CB ARG A 71 10.216 2.353 -5.160 1.00 73.14 C ATOM 1173 CG ARG A 71 9.264 3.519 -4.903 1.00 14.30 C ATOM 1174 CD ARG A 71 9.056 4.349 -6.160 1.00 71.52 C ATOM 1175 NE ARG A 71 8.059 5.406 -5.962 1.00 3.22 N ATOM 1176 CZ ARG A 71 7.981 6.528 -6.693 1.00 32.00 C ATOM 1177 NH1 ARG A 71 8.837 6.767 -7.685 1.00 54.01 N ATOM 1178 NH2 ARG A 71 7.035 7.418 -6.424 1.00 42.24 N ATOM 0 H ARG A 71 11.278 -0.145 -5.487 1.00 33.42 H new ATOM 0 HA ARG A 71 9.009 1.043 -3.970 1.00 34.40 H new ATOM 0 HB2 ARG A 71 11.106 2.483 -4.544 1.00 73.14 H new ATOM 0 HB3 ARG A 71 10.541 2.387 -6.200 1.00 73.14 H new ATOM 0 HG2 ARG A 71 8.305 3.138 -4.553 1.00 14.30 H new ATOM 0 HG3 ARG A 71 9.664 4.150 -4.110 1.00 14.30 H new ATOM 0 HD2 ARG A 71 10.004 4.796 -6.460 1.00 71.52 H new ATOM 0 HD3 ARG A 71 8.738 3.699 -6.975 1.00 71.52 H new ATOM 0 HE ARG A 71 7.376 5.279 -5.215 1.00 3.22 H new ATOM 0 HH11 ARG A 71 9.569 6.090 -7.901 1.00 54.01 H new ATOM 0 HH12 ARG A 71 8.760 7.627 -8.229 1.00 54.01 H new ATOM 0 HH21 ARG A 71 6.374 7.247 -5.666 1.00 42.24 H new ATOM 0 HH22 ARG A 71 6.968 8.274 -6.975 1.00 42.24 H new ATOM 1192 N ALA A 72 7.494 0.073 -5.682 1.00 5.10 N ATOM 1193 CA ALA A 72 6.532 -0.413 -6.674 1.00 53.23 C ATOM 1194 C ALA A 72 5.152 0.219 -6.487 1.00 61.04 C ATOM 1195 O ALA A 72 4.805 0.649 -5.382 1.00 32.53 O ATOM 1196 CB ALA A 72 6.432 -1.932 -6.602 1.00 53.11 C ATOM 0 H ALA A 72 7.152 0.049 -4.721 1.00 5.10 H new ATOM 0 HA ALA A 72 6.894 -0.120 -7.659 1.00 53.23 H new ATOM 0 HB1 ALA A 72 5.715 -2.285 -7.343 1.00 53.11 H new ATOM 0 HB2 ALA A 72 7.409 -2.371 -6.805 1.00 53.11 H new ATOM 0 HB3 ALA A 72 6.101 -2.228 -5.607 1.00 53.11 H new HETATM 1202 N MLY A 73 4.374 0.269 -7.579 1.00 72.40 N HETATM 1203 CA MLY A 73 3.028 0.836 -7.559 1.00 10.44 C HETATM 1204 CB MLY A 73 2.830 1.732 -8.787 1.00 42.22 C HETATM 1205 CG MLY A 73 1.774 2.823 -8.610 1.00 32.23 C HETATM 1206 CD MLY A 73 1.763 3.803 -9.782 1.00 43.41 C HETATM 1207 CE MLY A 73 0.904 3.301 -10.939 1.00 12.10 C HETATM 1208 NZ MLY A 73 1.015 4.224 -12.082 1.00 24.53 N HETATM 1209 CH1 MLY A 73 -0.316 4.750 -12.424 1.00 62.33 C HETATM 1210 CH2 MLY A 73 1.568 3.509 -13.243 1.00 20.10 C HETATM 1211 C MLY A 73 1.984 -0.280 -7.539 1.00 30.22 C HETATM 1212 O MLY A 73 2.040 -1.202 -8.357 1.00 52.40 O HETATM 0 HH23 MLY A 73 2.556 3.121 -12.995 1.00 20.10 H new HETATM 0 HH22 MLY A 73 0.909 2.682 -13.509 1.00 20.10 H new HETATM 0 HH21 MLY A 73 1.649 4.194 -14.087 1.00 20.10 H new HETATM 0 HH13 MLY A 73 -0.977 3.924 -12.689 1.00 62.33 H new HETATM 0 HH12 MLY A 73 -0.728 5.283 -11.567 1.00 62.33 H new HETATM 0 HH11 MLY A 73 -0.231 5.432 -13.270 1.00 62.33 H new HETATM 0 HG3 MLY A 73 0.790 2.363 -8.512 1.00 32.23 H new HETATM 0 HG2 MLY A 73 1.965 3.366 -7.685 1.00 32.23 H new HETATM 0 HE3 MLY A 73 1.224 2.302 -11.235 1.00 12.10 H new HETATM 0 HE2 MLY A 73 -0.136 3.222 -10.624 1.00 12.10 H new HETATM 0 HD3 MLY A 73 1.387 4.769 -9.444 1.00 43.41 H new HETATM 0 HD2 MLY A 73 2.783 3.963 -10.131 1.00 43.41 H new HETATM 0 HB3 MLY A 73 3.782 2.202 -9.036 1.00 42.22 H new HETATM 0 HB2 MLY A 73 2.551 1.108 -9.636 1.00 42.22 H new HETATM 0 HA MLY A 73 2.905 1.436 -6.658 1.00 10.44 H new HETATM 0 H MLY A 73 5.012 0.497 -8.341 1.00 72.40 H new ATOM 1229 N LEU A 74 1.036 -0.186 -6.601 1.00 74.52 N ATOM 1230 CA LEU A 74 -0.021 -1.192 -6.469 1.00 74.33 C ATOM 1231 C LEU A 74 -1.380 -0.614 -6.852 1.00 30.42 C ATOM 1232 O LEU A 74 -1.803 0.415 -6.316 1.00 24.14 O ATOM 1233 CB LEU A 74 -0.094 -1.767 -5.036 1.00 54.31 C ATOM 1234 CG LEU A 74 1.136 -1.551 -4.143 1.00 51.21 C ATOM 1235 CD1 LEU A 74 0.981 -0.270 -3.338 1.00 53.33 C ATOM 1236 CD2 LEU A 74 1.347 -2.745 -3.220 1.00 45.42 C ATOM 0 H LEU A 74 0.979 0.575 -5.924 1.00 74.52 H new ATOM 0 HA LEU A 74 0.232 -2.002 -7.153 1.00 74.33 H new ATOM 0 HB2 LEU A 74 -0.958 -1.328 -4.537 1.00 54.31 H new ATOM 0 HB3 LEU A 74 -0.278 -2.839 -5.108 1.00 54.31 H new ATOM 0 HG LEU A 74 2.016 -1.457 -4.780 1.00 51.21 H new ATOM 0 HD11 LEU A 74 1.859 -0.127 -2.708 1.00 53.33 H new ATOM 0 HD12 LEU A 74 0.880 0.577 -4.017 1.00 53.33 H new ATOM 0 HD13 LEU A 74 0.092 -0.340 -2.711 1.00 53.33 H new ATOM 0 HD21 LEU A 74 2.224 -2.572 -2.596 1.00 45.42 H new ATOM 0 HD22 LEU A 74 0.470 -2.874 -2.586 1.00 45.42 H new ATOM 0 HD23 LEU A 74 1.499 -3.644 -3.817 1.00 45.42 H new ATOM 1248 N THR A 75 -2.048 -1.292 -7.791 1.00 22.43 N ATOM 1249 CA THR A 75 -3.373 -0.892 -8.265 1.00 34.30 C ATOM 1250 C THR A 75 -4.448 -1.641 -7.472 1.00 11.12 C ATOM 1251 O THR A 75 -4.559 -2.868 -7.566 1.00 0.33 O ATOM 1252 CB THR A 75 -3.539 -1.177 -9.782 1.00 53.12 C ATOM 1253 OG1 THR A 75 -2.358 -0.775 -10.489 1.00 4.44 O ATOM 1254 CG2 THR A 75 -4.743 -0.441 -10.365 1.00 22.41 C ATOM 0 H THR A 75 -1.685 -2.132 -8.242 1.00 22.43 H new ATOM 0 HA THR A 75 -3.483 0.182 -8.111 1.00 34.30 H new ATOM 0 HB THR A 75 -3.700 -2.249 -9.898 1.00 53.12 H new ATOM 0 HG1 THR A 75 -2.470 -0.960 -11.445 1.00 4.44 H new ATOM 0 HG21 THR A 75 -4.826 -0.665 -11.428 1.00 22.41 H new ATOM 0 HG22 THR A 75 -5.650 -0.764 -9.854 1.00 22.41 H new ATOM 0 HG23 THR A 75 -4.614 0.633 -10.230 1.00 22.41 H new ATOM 1262 N ILE A 76 -5.225 -0.890 -6.692 1.00 31.12 N ATOM 1263 CA ILE A 76 -6.281 -1.469 -5.868 1.00 1.42 C ATOM 1264 C ILE A 76 -7.653 -1.161 -6.461 1.00 60.35 C ATOM 1265 O ILE A 76 -7.875 -0.087 -7.027 1.00 13.12 O ATOM 1266 CB ILE A 76 -6.212 -0.961 -4.389 1.00 70.02 C ATOM 1267 CG1 ILE A 76 -4.742 -0.906 -3.870 1.00 70.21 C ATOM 1268 CG2 ILE A 76 -7.097 -1.811 -3.465 1.00 75.11 C ATOM 1269 CD1 ILE A 76 -4.000 -2.239 -3.793 1.00 11.52 C ATOM 0 H ILE A 76 -5.141 0.124 -6.615 1.00 31.12 H new ATOM 0 HA ILE A 76 -6.128 -2.548 -5.858 1.00 1.42 H new ATOM 0 HB ILE A 76 -6.601 0.057 -4.376 1.00 70.02 H new ATOM 0 HG12 ILE A 76 -4.176 -0.236 -4.517 1.00 70.21 H new ATOM 0 HG13 ILE A 76 -4.747 -0.459 -2.876 1.00 70.21 H new ATOM 0 HG21 ILE A 76 -7.027 -1.433 -2.445 1.00 75.11 H new ATOM 0 HG22 ILE A 76 -8.132 -1.757 -3.802 1.00 75.11 H new ATOM 0 HG23 ILE A 76 -6.761 -2.847 -3.491 1.00 75.11 H new ATOM 0 HD11 ILE A 76 -2.990 -2.072 -3.419 1.00 11.52 H new ATOM 0 HD12 ILE A 76 -4.530 -2.912 -3.119 1.00 11.52 H new ATOM 0 HD13 ILE A 76 -3.950 -2.685 -4.786 1.00 11.52 H new ATOM 1281 N SER A 77 -8.552 -2.128 -6.317 1.00 11.11 N ATOM 1282 CA SER A 77 -9.921 -2.018 -6.816 1.00 42.11 C ATOM 1283 C SER A 77 -10.909 -1.811 -5.659 1.00 43.15 C ATOM 1284 O SER A 77 -10.566 -2.087 -4.507 1.00 74.23 O ATOM 1285 CB SER A 77 -10.298 -3.274 -7.621 1.00 53.42 C ATOM 1286 OG SER A 77 -9.537 -4.404 -7.225 1.00 32.12 O ATOM 0 H SER A 77 -8.353 -3.013 -5.850 1.00 11.11 H new ATOM 0 HA SER A 77 -9.977 -1.150 -7.472 1.00 42.11 H new ATOM 0 HB2 SER A 77 -11.359 -3.486 -7.488 1.00 53.42 H new ATOM 0 HB3 SER A 77 -10.142 -3.085 -8.683 1.00 53.42 H new ATOM 0 HG SER A 77 -8.616 -4.308 -7.547 1.00 32.12 H new ATOM 1292 N PRO A 78 -12.161 -1.321 -5.939 1.00 14.41 N ATOM 1293 CA PRO A 78 -13.184 -1.091 -4.894 1.00 50.11 C ATOM 1294 C PRO A 78 -13.582 -2.371 -4.144 1.00 62.43 C ATOM 1295 O PRO A 78 -14.161 -2.303 -3.062 1.00 15.12 O ATOM 1296 CB PRO A 78 -14.390 -0.533 -5.665 1.00 32.31 C ATOM 1297 CG PRO A 78 -14.156 -0.889 -7.093 1.00 23.43 C ATOM 1298 CD PRO A 78 -12.671 -0.948 -7.278 1.00 55.53 C ATOM 0 HA PRO A 78 -12.805 -0.420 -4.123 1.00 50.11 H new ATOM 0 HB2 PRO A 78 -15.322 -0.966 -5.301 1.00 32.31 H new ATOM 0 HB3 PRO A 78 -14.470 0.547 -5.539 1.00 32.31 H new ATOM 0 HG2 PRO A 78 -14.615 -1.848 -7.334 1.00 23.43 H new ATOM 0 HG3 PRO A 78 -14.600 -0.147 -7.756 1.00 23.43 H new ATOM 0 HD2 PRO A 78 -12.391 -1.684 -8.032 1.00 55.53 H new ATOM 0 HD3 PRO A 78 -12.271 0.011 -7.605 1.00 55.53 H new ATOM 1306 N ASP A 79 -13.258 -3.528 -4.736 1.00 12.13 N ATOM 1307 CA ASP A 79 -13.558 -4.831 -4.141 1.00 63.51 C ATOM 1308 C ASP A 79 -12.458 -5.264 -3.163 1.00 41.14 C ATOM 1309 O ASP A 79 -12.714 -6.043 -2.239 1.00 2.04 O ATOM 1310 CB ASP A 79 -13.723 -5.875 -5.243 1.00 74.51 C ATOM 1311 CG ASP A 79 -15.168 -6.047 -5.666 1.00 73.03 C ATOM 1312 OD1 ASP A 79 -15.605 -5.331 -6.592 1.00 41.30 O ATOM 1313 OD2 ASP A 79 -15.864 -6.897 -5.073 1.00 45.33 O ATOM 0 H ASP A 79 -12.783 -3.584 -5.637 1.00 12.13 H new ATOM 0 HA ASP A 79 -14.488 -4.745 -3.580 1.00 63.51 H new ATOM 0 HB2 ASP A 79 -13.127 -5.584 -6.108 1.00 74.51 H new ATOM 0 HB3 ASP A 79 -13.333 -6.831 -4.895 1.00 74.51 H new ATOM 1318 N TYR A 80 -11.241 -4.750 -3.381 1.00 23.22 N ATOM 1319 CA TYR A 80 -10.091 -5.058 -2.521 1.00 53.15 C ATOM 1320 C TYR A 80 -9.794 -3.913 -1.552 1.00 65.53 C ATOM 1321 O TYR A 80 -9.108 -4.112 -0.545 1.00 12.33 O ATOM 1322 CB TYR A 80 -8.841 -5.341 -3.367 1.00 14.24 C ATOM 1323 CG TYR A 80 -8.635 -6.806 -3.704 1.00 54.54 C ATOM 1324 CD1 TYR A 80 -7.547 -7.506 -3.193 1.00 24.12 C ATOM 1325 CD2 TYR A 80 -9.525 -7.491 -4.527 1.00 35.12 C ATOM 1326 CE1 TYR A 80 -7.354 -8.840 -3.491 1.00 2.42 C ATOM 1327 CE2 TYR A 80 -9.337 -8.824 -4.828 1.00 30.14 C ATOM 1328 CZ TYR A 80 -8.251 -9.495 -4.308 1.00 23.34 C ATOM 1329 OH TYR A 80 -8.061 -10.825 -4.606 1.00 73.03 O ATOM 0 H TYR A 80 -11.027 -4.115 -4.150 1.00 23.22 H new ATOM 0 HA TYR A 80 -10.349 -5.946 -1.944 1.00 53.15 H new ATOM 0 HB2 TYR A 80 -8.908 -4.773 -4.295 1.00 14.24 H new ATOM 0 HB3 TYR A 80 -7.964 -4.976 -2.832 1.00 14.24 H new ATOM 0 HD1 TYR A 80 -6.842 -6.997 -2.553 1.00 24.12 H new ATOM 0 HD2 TYR A 80 -10.377 -6.970 -4.937 1.00 35.12 H new ATOM 0 HE1 TYR A 80 -6.504 -9.369 -3.086 1.00 2.42 H new ATOM 0 HE2 TYR A 80 -10.038 -9.340 -5.468 1.00 30.14 H new ATOM 0 HH TYR A 80 -8.782 -11.135 -5.192 1.00 73.03 H new ATOM 1339 N ALA A 81 -10.315 -2.716 -1.865 1.00 54.11 N ATOM 1340 CA ALA A 81 -10.096 -1.527 -1.039 1.00 1.04 C ATOM 1341 C ALA A 81 -11.092 -1.424 0.127 1.00 31.52 C ATOM 1342 O ALA A 81 -10.684 -1.452 1.289 1.00 11.01 O ATOM 1343 CB ALA A 81 -10.146 -0.275 -1.907 1.00 23.45 C ATOM 0 H ALA A 81 -10.893 -2.550 -2.689 1.00 54.11 H new ATOM 0 HA ALA A 81 -9.106 -1.618 -0.592 1.00 1.04 H new ATOM 0 HB1 ALA A 81 -9.982 0.605 -1.286 1.00 23.45 H new ATOM 0 HB2 ALA A 81 -9.370 -0.330 -2.670 1.00 23.45 H new ATOM 0 HB3 ALA A 81 -11.122 -0.204 -2.387 1.00 23.45 H new ATOM 1349 N TYR A 82 -12.393 -1.313 -0.182 1.00 35.34 N ATOM 1350 CA TYR A 82 -13.422 -1.186 0.859 1.00 21.22 C ATOM 1351 C TYR A 82 -14.616 -2.103 0.584 1.00 64.31 C ATOM 1352 O TYR A 82 -15.026 -2.873 1.458 1.00 12.00 O ATOM 1353 CB TYR A 82 -13.889 0.277 0.973 1.00 60.11 C ATOM 1354 CG TYR A 82 -12.788 1.248 1.358 1.00 23.55 C ATOM 1355 CD1 TYR A 82 -11.953 1.805 0.392 1.00 60.20 C ATOM 1356 CD2 TYR A 82 -12.584 1.609 2.684 1.00 2.31 C ATOM 1357 CE1 TYR A 82 -10.950 2.691 0.739 1.00 51.12 C ATOM 1358 CE2 TYR A 82 -11.583 2.494 3.038 1.00 74.54 C ATOM 1359 CZ TYR A 82 -10.770 3.032 2.062 1.00 74.23 C ATOM 1360 OH TYR A 82 -9.773 3.913 2.412 1.00 54.35 O ATOM 0 H TYR A 82 -12.754 -1.309 -1.136 1.00 35.34 H new ATOM 0 HA TYR A 82 -12.977 -1.493 1.805 1.00 21.22 H new ATOM 0 HB2 TYR A 82 -14.315 0.587 0.019 1.00 60.11 H new ATOM 0 HB3 TYR A 82 -14.687 0.336 1.713 1.00 60.11 H new ATOM 0 HD1 TYR A 82 -12.092 1.540 -0.646 1.00 60.20 H new ATOM 0 HD2 TYR A 82 -13.219 1.191 3.451 1.00 2.31 H new ATOM 0 HE1 TYR A 82 -10.311 3.113 -0.022 1.00 51.12 H new ATOM 0 HE2 TYR A 82 -11.438 2.763 4.074 1.00 74.54 H new ATOM 0 HH TYR A 82 -9.781 4.048 3.383 1.00 54.35 H new ATOM 1370 N GLY A 83 -15.163 -2.010 -0.633 1.00 3.43 N ATOM 1371 CA GLY A 83 -16.306 -2.822 -1.022 1.00 10.01 C ATOM 1372 C GLY A 83 -17.175 -2.126 -2.050 1.00 71.34 C ATOM 1373 O GLY A 83 -16.660 -1.473 -2.961 1.00 23.23 O ATOM 0 H GLY A 83 -14.828 -1.379 -1.361 1.00 3.43 H new ATOM 0 HA2 GLY A 83 -15.955 -3.771 -1.427 1.00 10.01 H new ATOM 0 HA3 GLY A 83 -16.903 -3.053 -0.140 1.00 10.01 H new ATOM 1377 N ALA A 84 -18.494 -2.267 -1.898 1.00 25.11 N ATOM 1378 CA ALA A 84 -19.455 -1.644 -2.811 1.00 33.53 C ATOM 1379 C ALA A 84 -19.978 -0.314 -2.258 1.00 20.43 C ATOM 1380 O ALA A 84 -20.634 0.446 -2.976 1.00 51.55 O ATOM 1381 CB ALA A 84 -20.608 -2.597 -3.089 1.00 43.40 C ATOM 0 H ALA A 84 -18.922 -2.810 -1.148 1.00 25.11 H new ATOM 0 HA ALA A 84 -18.938 -1.430 -3.746 1.00 33.53 H new ATOM 0 HB1 ALA A 84 -21.316 -2.123 -3.769 1.00 43.40 H new ATOM 0 HB2 ALA A 84 -20.224 -3.510 -3.544 1.00 43.40 H new ATOM 0 HB3 ALA A 84 -21.111 -2.842 -2.154 1.00 43.40 H new ATOM 1387 N THR A 85 -19.677 -0.044 -0.981 1.00 42.23 N ATOM 1388 CA THR A 85 -20.107 1.188 -0.320 1.00 52.23 C ATOM 1389 C THR A 85 -18.958 2.206 -0.278 1.00 53.03 C ATOM 1390 O THR A 85 -19.079 3.304 -0.829 1.00 62.14 O ATOM 1391 CB THR A 85 -20.623 0.902 1.118 1.00 63.55 C ATOM 1392 OG1 THR A 85 -21.393 -0.307 1.134 1.00 4.10 O ATOM 1393 CG2 THR A 85 -21.484 2.046 1.646 1.00 23.54 C ATOM 0 H THR A 85 -19.134 -0.669 -0.385 1.00 42.23 H new ATOM 0 HA THR A 85 -20.929 1.609 -0.899 1.00 52.23 H new ATOM 0 HB THR A 85 -19.750 0.800 1.763 1.00 63.55 H new ATOM 0 HG1 THR A 85 -21.712 -0.480 2.044 1.00 4.10 H new ATOM 0 HG21 THR A 85 -21.826 1.809 2.654 1.00 23.54 H new ATOM 0 HG22 THR A 85 -20.896 2.963 1.669 1.00 23.54 H new ATOM 0 HG23 THR A 85 -22.346 2.184 0.993 1.00 23.54 H new ATOM 1401 N GLY A 86 -17.847 1.827 0.380 1.00 73.04 N ATOM 1402 CA GLY A 86 -16.681 2.704 0.493 1.00 62.01 C ATOM 1403 C GLY A 86 -16.894 3.861 1.459 1.00 41.14 C ATOM 1404 O GLY A 86 -17.863 3.866 2.225 1.00 62.55 O ATOM 0 H GLY A 86 -17.738 0.922 0.838 1.00 73.04 H new ATOM 0 HA2 GLY A 86 -15.823 2.117 0.822 1.00 62.01 H new ATOM 0 HA3 GLY A 86 -16.436 3.102 -0.492 1.00 62.01 H new ATOM 1408 N HIS A 87 -15.981 4.838 1.418 1.00 12.34 N ATOM 1409 CA HIS A 87 -16.062 6.019 2.277 1.00 52.22 C ATOM 1410 C HIS A 87 -16.708 7.185 1.507 1.00 53.50 C ATOM 1411 O HIS A 87 -16.213 7.558 0.440 1.00 4.31 O ATOM 1412 CB HIS A 87 -14.665 6.414 2.779 1.00 33.04 C ATOM 1413 CG HIS A 87 -14.675 7.212 4.051 1.00 43.33 C ATOM 1414 ND1 HIS A 87 -14.261 6.719 5.269 1.00 62.14 N ATOM 1415 CD2 HIS A 87 -15.054 8.498 4.278 1.00 34.33 C ATOM 1416 CE1 HIS A 87 -14.399 7.695 6.177 1.00 71.03 C ATOM 1417 NE2 HIS A 87 -14.876 8.795 5.626 1.00 2.31 N ATOM 0 H HIS A 87 -15.174 4.831 0.794 1.00 12.34 H new ATOM 0 HA HIS A 87 -16.682 5.783 3.142 1.00 52.22 H new ATOM 0 HB2 HIS A 87 -14.077 5.509 2.935 1.00 33.04 H new ATOM 0 HB3 HIS A 87 -14.162 6.992 2.004 1.00 33.04 H new ATOM 0 HD2 HIS A 87 -15.433 9.180 3.531 1.00 34.33 H new ATOM 0 HE1 HIS A 87 -14.152 7.594 7.224 1.00 71.03 H new ATOM 0 HE2 HIS A 87 -15.074 9.681 6.092 1.00 2.31 H new ATOM 1425 N PRO A 88 -17.819 7.791 2.031 1.00 43.33 N ATOM 1426 CA PRO A 88 -18.511 8.899 1.341 1.00 44.10 C ATOM 1427 C PRO A 88 -17.703 10.204 1.311 1.00 24.12 C ATOM 1428 O PRO A 88 -17.290 10.717 2.357 1.00 52.53 O ATOM 1429 CB PRO A 88 -19.806 9.077 2.148 1.00 3.31 C ATOM 1430 CG PRO A 88 -19.507 8.536 3.506 1.00 11.32 C ATOM 1431 CD PRO A 88 -18.485 7.447 3.317 1.00 31.53 C ATOM 0 HA PRO A 88 -18.675 8.665 0.289 1.00 44.10 H new ATOM 0 HB2 PRO A 88 -20.096 10.127 2.199 1.00 3.31 H new ATOM 0 HB3 PRO A 88 -20.634 8.540 1.685 1.00 3.31 H new ATOM 0 HG2 PRO A 88 -19.123 9.319 4.160 1.00 11.32 H new ATOM 0 HG3 PRO A 88 -20.410 8.144 3.975 1.00 11.32 H new ATOM 0 HD2 PRO A 88 -17.772 7.423 4.141 1.00 31.53 H new ATOM 0 HD3 PRO A 88 -18.954 6.464 3.272 1.00 31.53 H new ATOM 1439 N GLY A 89 -17.483 10.719 0.096 1.00 63.23 N ATOM 1440 CA GLY A 89 -16.742 11.958 -0.081 1.00 34.40 C ATOM 1441 C GLY A 89 -15.358 11.754 -0.672 1.00 12.22 C ATOM 1442 O GLY A 89 -14.981 12.452 -1.617 1.00 23.13 O ATOM 0 H GLY A 89 -17.809 10.294 -0.772 1.00 63.23 H new ATOM 0 HA2 GLY A 89 -17.311 12.624 -0.730 1.00 34.40 H new ATOM 0 HA3 GLY A 89 -16.647 12.457 0.883 1.00 34.40 H new ATOM 1446 N ILE A 90 -14.605 10.799 -0.115 1.00 11.03 N ATOM 1447 CA ILE A 90 -13.241 10.517 -0.577 1.00 12.54 C ATOM 1448 C ILE A 90 -13.201 9.293 -1.505 1.00 61.23 C ATOM 1449 O ILE A 90 -12.647 9.368 -2.606 1.00 42.54 O ATOM 1450 CB ILE A 90 -12.254 10.303 0.611 1.00 64.12 C ATOM 1451 CG1 ILE A 90 -12.508 11.333 1.724 1.00 73.33 C ATOM 1452 CG2 ILE A 90 -10.802 10.401 0.132 1.00 3.31 C ATOM 1453 CD1 ILE A 90 -12.248 10.804 3.118 1.00 60.20 C ATOM 0 H ILE A 90 -14.917 10.208 0.656 1.00 11.03 H new ATOM 0 HA ILE A 90 -12.921 11.396 -1.137 1.00 12.54 H new ATOM 0 HB ILE A 90 -12.425 9.304 1.013 1.00 64.12 H new ATOM 0 HG12 ILE A 90 -11.875 12.203 1.552 1.00 73.33 H new ATOM 0 HG13 ILE A 90 -13.542 11.674 1.662 1.00 73.33 H new ATOM 0 HG21 ILE A 90 -10.129 10.249 0.976 1.00 3.31 H new ATOM 0 HG22 ILE A 90 -10.616 9.637 -0.623 1.00 3.31 H new ATOM 0 HG23 ILE A 90 -10.627 11.387 -0.298 1.00 3.31 H new ATOM 0 HD11 ILE A 90 -12.449 11.588 3.848 1.00 60.20 H new ATOM 0 HD12 ILE A 90 -12.900 9.952 3.311 1.00 60.20 H new ATOM 0 HD13 ILE A 90 -11.207 10.490 3.200 1.00 60.20 H new ATOM 1465 N ILE A 91 -13.786 8.177 -1.054 1.00 33.14 N ATOM 1466 CA ILE A 91 -13.788 6.934 -1.830 1.00 30.21 C ATOM 1467 C ILE A 91 -15.206 6.607 -2.353 1.00 51.24 C ATOM 1468 O ILE A 91 -16.025 6.050 -1.614 1.00 52.40 O ATOM 1469 CB ILE A 91 -13.231 5.728 -0.995 1.00 70.43 C ATOM 1470 CG1 ILE A 91 -11.933 6.098 -0.218 1.00 74.32 C ATOM 1471 CG2 ILE A 91 -12.997 4.494 -1.878 1.00 53.23 C ATOM 1472 CD1 ILE A 91 -10.773 6.636 -1.058 1.00 2.32 C ATOM 0 H ILE A 91 -14.264 8.111 -0.155 1.00 33.14 H new ATOM 0 HA ILE A 91 -13.127 7.089 -2.683 1.00 30.21 H new ATOM 0 HB ILE A 91 -13.995 5.483 -0.258 1.00 70.43 H new ATOM 0 HG12 ILE A 91 -12.186 6.844 0.535 1.00 74.32 H new ATOM 0 HG13 ILE A 91 -11.588 5.212 0.315 1.00 74.32 H new ATOM 0 HG21 ILE A 91 -12.611 3.678 -1.267 1.00 53.23 H new ATOM 0 HG22 ILE A 91 -13.938 4.191 -2.336 1.00 53.23 H new ATOM 0 HG23 ILE A 91 -12.275 4.736 -2.658 1.00 53.23 H new ATOM 0 HD11 ILE A 91 -9.926 6.858 -0.409 1.00 2.32 H new ATOM 0 HD12 ILE A 91 -10.479 5.888 -1.794 1.00 2.32 H new ATOM 0 HD13 ILE A 91 -11.086 7.546 -1.570 1.00 2.32 H new ATOM 1484 N PRO A 92 -15.520 6.949 -3.640 1.00 65.32 N ATOM 1485 CA PRO A 92 -16.840 6.661 -4.237 1.00 52.13 C ATOM 1486 C PRO A 92 -17.049 5.156 -4.526 1.00 22.44 C ATOM 1487 O PRO A 92 -16.079 4.392 -4.509 1.00 33.23 O ATOM 1488 CB PRO A 92 -16.827 7.474 -5.539 1.00 2.33 C ATOM 1489 CG PRO A 92 -15.391 7.615 -5.897 1.00 52.44 C ATOM 1490 CD PRO A 92 -14.636 7.665 -4.596 1.00 13.45 C ATOM 0 HA PRO A 92 -17.657 6.926 -3.565 1.00 52.13 H new ATOM 0 HB2 PRO A 92 -17.381 6.964 -6.327 1.00 2.33 H new ATOM 0 HB3 PRO A 92 -17.295 8.448 -5.399 1.00 2.33 H new ATOM 0 HG2 PRO A 92 -15.058 6.776 -6.508 1.00 52.44 H new ATOM 0 HG3 PRO A 92 -15.222 8.521 -6.480 1.00 52.44 H new ATOM 0 HD2 PRO A 92 -13.663 7.180 -4.680 1.00 13.45 H new ATOM 0 HD3 PRO A 92 -14.454 8.692 -4.279 1.00 13.45 H new ATOM 1498 N PRO A 93 -18.314 4.707 -4.798 1.00 53.53 N ATOM 1499 CA PRO A 93 -18.610 3.287 -5.079 1.00 52.41 C ATOM 1500 C PRO A 93 -18.171 2.845 -6.481 1.00 70.11 C ATOM 1501 O PRO A 93 -18.270 3.614 -7.441 1.00 21.32 O ATOM 1502 CB PRO A 93 -20.136 3.214 -4.944 1.00 64.31 C ATOM 1503 CG PRO A 93 -20.625 4.583 -5.280 1.00 30.24 C ATOM 1504 CD PRO A 93 -19.545 5.539 -4.842 1.00 73.21 C ATOM 0 HA PRO A 93 -18.070 2.623 -4.404 1.00 52.41 H new ATOM 0 HB2 PRO A 93 -20.556 2.469 -5.620 1.00 64.31 H new ATOM 0 HB3 PRO A 93 -20.429 2.928 -3.934 1.00 64.31 H new ATOM 0 HG2 PRO A 93 -20.816 4.676 -6.349 1.00 30.24 H new ATOM 0 HG3 PRO A 93 -21.564 4.797 -4.769 1.00 30.24 H new ATOM 0 HD2 PRO A 93 -19.440 6.368 -5.542 1.00 73.21 H new ATOM 0 HD3 PRO A 93 -19.768 5.971 -3.867 1.00 73.21 H new ATOM 1512 N HIS A 94 -17.684 1.589 -6.582 1.00 21.21 N ATOM 1513 CA HIS A 94 -17.217 0.988 -7.857 1.00 45.34 C ATOM 1514 C HIS A 94 -16.107 1.835 -8.517 1.00 60.20 C ATOM 1515 O HIS A 94 -16.096 2.040 -9.739 1.00 61.45 O ATOM 1516 CB HIS A 94 -18.396 0.771 -8.834 1.00 53.42 C ATOM 1517 CG HIS A 94 -19.478 -0.115 -8.292 1.00 13.53 C ATOM 1518 ND1 HIS A 94 -19.428 -1.492 -8.313 1.00 25.22 N ATOM 1519 CD2 HIS A 94 -20.656 0.207 -7.697 1.00 61.31 C ATOM 1520 CE1 HIS A 94 -20.551 -1.953 -7.744 1.00 14.10 C ATOM 1521 NE2 HIS A 94 -21.329 -0.962 -7.353 1.00 70.34 N ATOM 0 H HIS A 94 -17.602 0.960 -5.783 1.00 21.21 H new ATOM 0 HA HIS A 94 -16.788 0.015 -7.617 1.00 45.34 H new ATOM 0 HB2 HIS A 94 -18.826 1.739 -9.089 1.00 53.42 H new ATOM 0 HB3 HIS A 94 -18.014 0.338 -9.759 1.00 53.42 H new ATOM 0 HD2 HIS A 94 -21.014 1.210 -7.519 1.00 61.31 H new ATOM 0 HE1 HIS A 94 -20.788 -3.000 -7.622 1.00 14.10 H new ATOM 0 HE2 HIS A 94 -22.237 -1.037 -6.893 1.00 70.34 H new ATOM 1529 N ALA A 95 -15.165 2.306 -7.689 1.00 4.51 N ATOM 1530 CA ALA A 95 -14.058 3.137 -8.157 1.00 71.05 C ATOM 1531 C ALA A 95 -12.708 2.533 -7.796 1.00 4.34 C ATOM 1532 O ALA A 95 -12.480 2.111 -6.659 1.00 71.42 O ATOM 1533 CB ALA A 95 -14.181 4.543 -7.588 1.00 13.05 C ATOM 0 H ALA A 95 -15.152 2.122 -6.686 1.00 4.51 H new ATOM 0 HA ALA A 95 -14.114 3.185 -9.244 1.00 71.05 H new ATOM 0 HB1 ALA A 95 -13.351 5.153 -7.943 1.00 13.05 H new ATOM 0 HB2 ALA A 95 -15.122 4.986 -7.913 1.00 13.05 H new ATOM 0 HB3 ALA A 95 -14.158 4.498 -6.499 1.00 13.05 H new ATOM 1539 N THR A 96 -11.824 2.504 -8.796 1.00 34.22 N ATOM 1540 CA THR A 96 -10.464 1.974 -8.659 1.00 13.14 C ATOM 1541 C THR A 96 -9.526 3.026 -8.048 1.00 22.22 C ATOM 1542 O THR A 96 -9.618 4.214 -8.371 1.00 73.11 O ATOM 1543 CB THR A 96 -9.924 1.516 -10.038 1.00 32.40 C ATOM 1544 OG1 THR A 96 -10.927 0.757 -10.726 1.00 74.25 O ATOM 1545 CG2 THR A 96 -8.662 0.664 -9.907 1.00 64.35 C ATOM 0 H THR A 96 -12.033 2.851 -9.732 1.00 34.22 H new ATOM 0 HA THR A 96 -10.500 1.115 -7.989 1.00 13.14 H new ATOM 0 HB THR A 96 -9.672 2.415 -10.601 1.00 32.40 H new ATOM 0 HG1 THR A 96 -11.357 1.321 -11.402 1.00 74.25 H new ATOM 0 HG21 THR A 96 -8.320 0.366 -10.898 1.00 64.35 H new ATOM 0 HG22 THR A 96 -7.882 1.243 -9.412 1.00 64.35 H new ATOM 0 HG23 THR A 96 -8.883 -0.225 -9.317 1.00 64.35 H new ATOM 1553 N LEU A 97 -8.631 2.563 -7.169 1.00 71.52 N ATOM 1554 CA LEU A 97 -7.674 3.435 -6.489 1.00 52.44 C ATOM 1555 C LEU A 97 -6.236 3.035 -6.820 1.00 25.12 C ATOM 1556 O LEU A 97 -5.964 1.875 -7.145 1.00 65.13 O ATOM 1557 CB LEU A 97 -7.895 3.372 -4.969 1.00 65.44 C ATOM 1558 CG LEU A 97 -9.319 3.688 -4.488 1.00 4.14 C ATOM 1559 CD1 LEU A 97 -9.635 2.909 -3.224 1.00 14.14 C ATOM 1560 CD2 LEU A 97 -9.498 5.180 -4.252 1.00 45.25 C ATOM 0 H LEU A 97 -8.551 1.579 -6.912 1.00 71.52 H new ATOM 0 HA LEU A 97 -7.836 4.455 -6.838 1.00 52.44 H new ATOM 0 HB2 LEU A 97 -7.628 2.374 -4.623 1.00 65.44 H new ATOM 0 HB3 LEU A 97 -7.207 4.070 -4.491 1.00 65.44 H new ATOM 0 HG LEU A 97 -10.016 3.385 -5.270 1.00 4.14 H new ATOM 0 HD11 LEU A 97 -10.647 3.144 -2.896 1.00 14.14 H new ATOM 0 HD12 LEU A 97 -9.557 1.841 -3.426 1.00 14.14 H new ATOM 0 HD13 LEU A 97 -8.927 3.183 -2.442 1.00 14.14 H new ATOM 0 HD21 LEU A 97 -10.515 5.375 -3.912 1.00 45.25 H new ATOM 0 HD22 LEU A 97 -8.791 5.516 -3.493 1.00 45.25 H new ATOM 0 HD23 LEU A 97 -9.316 5.720 -5.181 1.00 45.25 H new ATOM 1572 N VAL A 98 -5.326 4.010 -6.731 1.00 33.31 N ATOM 1573 CA VAL A 98 -3.902 3.790 -7.011 1.00 60.04 C ATOM 1574 C VAL A 98 -3.073 4.156 -5.775 1.00 55.00 C ATOM 1575 O VAL A 98 -3.259 5.225 -5.193 1.00 63.34 O ATOM 1576 CB VAL A 98 -3.415 4.622 -8.241 1.00 0.44 C ATOM 1577 CG1 VAL A 98 -1.980 4.267 -8.633 1.00 51.44 C ATOM 1578 CG2 VAL A 98 -4.339 4.429 -9.441 1.00 72.32 C ATOM 0 H VAL A 98 -5.553 4.968 -6.465 1.00 33.31 H new ATOM 0 HA VAL A 98 -3.767 2.735 -7.252 1.00 60.04 H new ATOM 0 HB VAL A 98 -3.440 5.670 -7.941 1.00 0.44 H new ATOM 0 HG11 VAL A 98 -1.679 4.867 -9.492 1.00 51.44 H new ATOM 0 HG12 VAL A 98 -1.313 4.471 -7.796 1.00 51.44 H new ATOM 0 HG13 VAL A 98 -1.924 3.210 -8.891 1.00 51.44 H new ATOM 0 HG21 VAL A 98 -3.974 5.021 -10.280 1.00 72.32 H new ATOM 0 HG22 VAL A 98 -4.357 3.376 -9.720 1.00 72.32 H new ATOM 0 HG23 VAL A 98 -5.347 4.753 -9.180 1.00 72.32 H new ATOM 1588 N PHE A 99 -2.168 3.255 -5.387 1.00 53.41 N ATOM 1589 CA PHE A 99 -1.300 3.469 -4.228 1.00 43.43 C ATOM 1590 C PHE A 99 0.147 3.145 -4.574 1.00 54.24 C ATOM 1591 O PHE A 99 0.428 2.105 -5.175 1.00 52.42 O ATOM 1592 CB PHE A 99 -1.748 2.601 -3.048 1.00 34.44 C ATOM 1593 CG PHE A 99 -3.059 3.009 -2.441 1.00 35.13 C ATOM 1594 CD1 PHE A 99 -4.241 2.453 -2.895 1.00 2.50 C ATOM 1595 CD2 PHE A 99 -3.109 3.937 -1.413 1.00 32.20 C ATOM 1596 CE1 PHE A 99 -5.452 2.813 -2.337 1.00 43.45 C ATOM 1597 CE2 PHE A 99 -4.317 4.303 -0.851 1.00 71.30 C ATOM 1598 CZ PHE A 99 -5.491 3.739 -1.314 1.00 42.42 C ATOM 0 H PHE A 99 -2.017 2.365 -5.862 1.00 53.41 H new ATOM 0 HA PHE A 99 -1.374 4.519 -3.946 1.00 43.43 H new ATOM 0 HB2 PHE A 99 -1.822 1.566 -3.382 1.00 34.44 H new ATOM 0 HB3 PHE A 99 -0.979 2.633 -2.277 1.00 34.44 H new ATOM 0 HD1 PHE A 99 -4.217 1.729 -3.696 1.00 2.50 H new ATOM 0 HD2 PHE A 99 -2.194 4.379 -1.047 1.00 32.20 H new ATOM 0 HE1 PHE A 99 -6.368 2.370 -2.701 1.00 43.45 H new ATOM 0 HE2 PHE A 99 -4.344 5.028 -0.051 1.00 71.30 H new ATOM 0 HZ PHE A 99 -6.437 4.022 -0.876 1.00 42.42 H new ATOM 1608 N ASP A 100 1.056 4.046 -4.196 1.00 61.54 N ATOM 1609 CA ASP A 100 2.482 3.860 -4.449 1.00 40.34 C ATOM 1610 C ASP A 100 3.243 3.756 -3.123 1.00 51.50 C ATOM 1611 O ASP A 100 3.465 4.763 -2.440 1.00 33.42 O ATOM 1612 CB ASP A 100 3.025 5.013 -5.309 1.00 33.13 C ATOM 1613 CG ASP A 100 4.282 4.636 -6.074 1.00 31.24 C ATOM 1614 OD1 ASP A 100 4.160 4.202 -7.239 1.00 54.54 O ATOM 1615 OD2 ASP A 100 5.386 4.776 -5.508 1.00 62.02 O ATOM 0 H ASP A 100 0.826 4.914 -3.712 1.00 61.54 H new ATOM 0 HA ASP A 100 2.628 2.930 -4.999 1.00 40.34 H new ATOM 0 HB2 ASP A 100 2.256 5.327 -6.015 1.00 33.13 H new ATOM 0 HB3 ASP A 100 3.238 5.869 -4.668 1.00 33.13 H new ATOM 1620 N VAL A 101 3.619 2.524 -2.760 1.00 2.04 N ATOM 1621 CA VAL A 101 4.354 2.278 -1.516 1.00 60.42 C ATOM 1622 C VAL A 101 5.826 1.979 -1.795 1.00 12.12 C ATOM 1623 O VAL A 101 6.177 1.495 -2.876 1.00 50.32 O ATOM 1624 CB VAL A 101 3.730 1.131 -0.652 1.00 11.15 C ATOM 1625 CG1 VAL A 101 2.276 1.434 -0.306 1.00 31.41 C ATOM 1626 CG2 VAL A 101 3.832 -0.238 -1.329 1.00 41.23 C ATOM 0 H VAL A 101 3.427 1.686 -3.308 1.00 2.04 H new ATOM 0 HA VAL A 101 4.277 3.198 -0.936 1.00 60.42 H new ATOM 0 HB VAL A 101 4.315 1.087 0.267 1.00 11.15 H new ATOM 0 HG11 VAL A 101 1.868 0.621 0.294 1.00 31.41 H new ATOM 0 HG12 VAL A 101 2.223 2.364 0.259 1.00 31.41 H new ATOM 0 HG13 VAL A 101 1.697 1.533 -1.224 1.00 31.41 H new ATOM 0 HG21 VAL A 101 3.384 -0.996 -0.686 1.00 41.23 H new ATOM 0 HG22 VAL A 101 3.304 -0.213 -2.282 1.00 41.23 H new ATOM 0 HG23 VAL A 101 4.880 -0.482 -1.501 1.00 41.23 H new ATOM 1636 N GLU A 102 6.668 2.273 -0.808 1.00 33.11 N ATOM 1637 CA GLU A 102 8.108 2.036 -0.917 1.00 1.22 C ATOM 1638 C GLU A 102 8.620 1.289 0.312 1.00 51.22 C ATOM 1639 O GLU A 102 8.421 1.734 1.445 1.00 12.21 O ATOM 1640 CB GLU A 102 8.884 3.357 -1.124 1.00 41.11 C ATOM 1641 CG GLU A 102 8.565 4.468 -0.122 1.00 34.12 C ATOM 1642 CD GLU A 102 9.365 5.730 -0.377 1.00 72.23 C ATOM 1643 OE1 GLU A 102 8.881 6.598 -1.133 1.00 62.13 O ATOM 1644 OE2 GLU A 102 10.477 5.850 0.179 1.00 41.33 O ATOM 0 H GLU A 102 6.377 2.678 0.082 1.00 33.11 H new ATOM 0 HA GLU A 102 8.281 1.415 -1.796 1.00 1.22 H new ATOM 0 HB2 GLU A 102 9.952 3.143 -1.076 1.00 41.11 H new ATOM 0 HB3 GLU A 102 8.678 3.726 -2.129 1.00 41.11 H new ATOM 0 HG2 GLU A 102 7.501 4.701 -0.170 1.00 34.12 H new ATOM 0 HG3 GLU A 102 8.768 4.111 0.888 1.00 34.12 H new ATOM 1651 N LEU A 103 9.295 0.159 0.067 1.00 24.24 N ATOM 1652 CA LEU A 103 9.851 -0.684 1.132 1.00 4.34 C ATOM 1653 C LEU A 103 11.085 -0.009 1.757 1.00 3.51 C ATOM 1654 O LEU A 103 12.173 -0.014 1.170 1.00 64.00 O ATOM 1655 CB LEU A 103 10.237 -2.061 0.539 1.00 3.14 C ATOM 1656 CG LEU A 103 9.756 -3.349 1.261 1.00 43.24 C ATOM 1657 CD1 LEU A 103 10.189 -3.404 2.722 1.00 32.51 C ATOM 1658 CD2 LEU A 103 8.247 -3.527 1.142 1.00 21.32 C ATOM 0 H LEU A 103 9.471 -0.196 -0.873 1.00 24.24 H new ATOM 0 HA LEU A 103 9.103 -0.821 1.913 1.00 4.34 H new ATOM 0 HB2 LEU A 103 9.862 -2.097 -0.484 1.00 3.14 H new ATOM 0 HB3 LEU A 103 11.325 -2.102 0.481 1.00 3.14 H new ATOM 0 HG LEU A 103 10.243 -4.180 0.751 1.00 43.24 H new ATOM 0 HD11 LEU A 103 9.824 -4.326 3.175 1.00 32.51 H new ATOM 0 HD12 LEU A 103 11.277 -3.377 2.780 1.00 32.51 H new ATOM 0 HD13 LEU A 103 9.775 -2.549 3.257 1.00 32.51 H new ATOM 0 HD21 LEU A 103 7.946 -4.438 1.659 1.00 21.32 H new ATOM 0 HD22 LEU A 103 7.743 -2.672 1.592 1.00 21.32 H new ATOM 0 HD23 LEU A 103 7.971 -3.599 0.090 1.00 21.32 H new ATOM 1670 N LEU A 104 10.895 0.600 2.936 1.00 4.14 N ATOM 1671 CA LEU A 104 11.976 1.298 3.635 1.00 44.13 C ATOM 1672 C LEU A 104 12.734 0.354 4.575 1.00 0.54 C ATOM 1673 O LEU A 104 13.947 0.176 4.431 1.00 14.41 O ATOM 1674 CB LEU A 104 11.410 2.504 4.414 1.00 71.51 C ATOM 1675 CG LEU A 104 10.485 3.436 3.611 1.00 54.14 C ATOM 1676 CD1 LEU A 104 9.524 4.170 4.532 1.00 73.51 C ATOM 1677 CD2 LEU A 104 11.296 4.431 2.791 1.00 62.23 C ATOM 0 H LEU A 104 10.000 0.622 3.424 1.00 4.14 H new ATOM 0 HA LEU A 104 12.685 1.659 2.890 1.00 44.13 H new ATOM 0 HB2 LEU A 104 10.860 2.131 5.278 1.00 71.51 H new ATOM 0 HB3 LEU A 104 12.245 3.091 4.797 1.00 71.51 H new ATOM 0 HG LEU A 104 9.903 2.819 2.926 1.00 54.14 H new ATOM 0 HD11 LEU A 104 8.881 4.822 3.941 1.00 73.51 H new ATOM 0 HD12 LEU A 104 8.911 3.446 5.070 1.00 73.51 H new ATOM 0 HD13 LEU A 104 10.090 4.768 5.246 1.00 73.51 H new ATOM 0 HD21 LEU A 104 10.620 5.079 2.232 1.00 62.23 H new ATOM 0 HD22 LEU A 104 11.910 5.036 3.457 1.00 62.23 H new ATOM 0 HD23 LEU A 104 11.939 3.891 2.096 1.00 62.23 H new HETATM 1689 N MLY A 105 12.008 -0.247 5.534 1.00 1.45 N HETATM 1690 CA MLY A 105 12.591 -1.180 6.513 1.00 43.20 C HETATM 1691 CB MLY A 105 13.533 -0.441 7.500 1.00 74.32 C HETATM 1692 CG MLY A 105 12.875 0.662 8.341 1.00 22.12 C HETATM 1693 CD MLY A 105 13.864 1.755 8.748 1.00 71.52 C HETATM 1694 CE MLY A 105 14.431 1.518 10.145 1.00 2.14 C HETATM 1695 NZ MLY A 105 13.522 2.079 11.159 1.00 24.33 N HETATM 1696 CH1 MLY A 105 14.205 3.155 11.895 1.00 41.55 C HETATM 1697 CH2 MLY A 105 13.126 1.021 12.101 1.00 22.51 C HETATM 1698 C MLY A 105 11.487 -1.946 7.259 1.00 74.02 C HETATM 1699 O MLY A 105 10.306 -1.595 7.164 1.00 23.23 O HETATM 0 HH23 MLY A 105 12.618 0.223 11.559 1.00 22.51 H new HETATM 0 HH22 MLY A 105 14.013 0.619 12.591 1.00 22.51 H new HETATM 0 HH21 MLY A 105 12.453 1.435 12.852 1.00 22.51 H new HETATM 0 HH13 MLY A 105 15.091 2.754 12.386 1.00 41.55 H new HETATM 0 HH12 MLY A 105 14.500 3.941 11.200 1.00 41.55 H new HETATM 0 HH11 MLY A 105 13.530 3.568 12.645 1.00 41.55 H new HETATM 0 HG3 MLY A 105 12.058 1.108 7.774 1.00 22.12 H new HETATM 0 HG2 MLY A 105 12.438 0.220 9.236 1.00 22.12 H new HETATM 0 HE3 MLY A 105 14.565 0.450 10.316 1.00 2.14 H new HETATM 0 HE2 MLY A 105 15.414 1.980 10.231 1.00 2.14 H new HETATM 0 HD3 MLY A 105 14.680 1.793 8.027 1.00 71.52 H new HETATM 0 HD2 MLY A 105 13.366 2.724 8.718 1.00 71.52 H new HETATM 0 HB3 MLY A 105 13.972 -1.176 8.175 1.00 74.32 H new HETATM 0 HB2 MLY A 105 14.353 -0.001 6.932 1.00 74.32 H new HETATM 0 HA MLY A 105 13.194 -1.907 5.970 1.00 43.20 H new ATOM 1716 N LEU A 106 11.887 -2.987 7.998 1.00 51.44 N ATOM 1717 CA LEU A 106 10.943 -3.812 8.759 1.00 50.34 C ATOM 1718 C LEU A 106 11.283 -3.793 10.246 1.00 15.14 C ATOM 1719 O LEU A 106 12.453 -3.666 10.619 1.00 24.35 O ATOM 1720 CB LEU A 106 10.949 -5.263 8.245 1.00 64.41 C ATOM 1721 CG LEU A 106 10.784 -5.446 6.725 1.00 43.31 C ATOM 1722 CD1 LEU A 106 11.286 -6.818 6.301 1.00 23.33 C ATOM 1723 CD2 LEU A 106 9.330 -5.266 6.302 1.00 3.23 C ATOM 0 H LEU A 106 12.861 -3.278 8.085 1.00 51.44 H new ATOM 0 HA LEU A 106 9.947 -3.391 8.619 1.00 50.34 H new ATOM 0 HB2 LEU A 106 11.887 -5.729 8.547 1.00 64.41 H new ATOM 0 HB3 LEU A 106 10.147 -5.807 8.745 1.00 64.41 H new ATOM 0 HG LEU A 106 11.379 -4.680 6.228 1.00 43.31 H new ATOM 0 HD11 LEU A 106 11.163 -6.934 5.224 1.00 23.33 H new ATOM 0 HD12 LEU A 106 12.341 -6.915 6.558 1.00 23.33 H new ATOM 0 HD13 LEU A 106 10.714 -7.590 6.816 1.00 23.33 H new ATOM 0 HD21 LEU A 106 9.245 -5.401 5.224 1.00 3.23 H new ATOM 0 HD22 LEU A 106 8.709 -6.004 6.810 1.00 3.23 H new ATOM 0 HD23 LEU A 106 8.995 -4.264 6.570 1.00 3.23 H new ATOM 1735 N GLU A 107 10.250 -3.922 11.086 1.00 12.24 N ATOM 1736 CA GLU A 107 10.428 -3.925 12.540 1.00 25.05 C ATOM 1737 C GLU A 107 9.813 -5.175 13.159 1.00 14.04 C ATOM 1738 O GLU A 107 10.451 -6.226 13.224 1.00 15.01 O ATOM 1739 CB GLU A 107 9.804 -2.673 13.170 1.00 65.53 C ATOM 1740 CG GLU A 107 10.515 -1.376 12.813 1.00 41.44 C ATOM 1741 CD GLU A 107 10.012 -0.195 13.621 1.00 62.30 C ATOM 1742 OE1 GLU A 107 10.664 0.156 14.627 1.00 0.45 O ATOM 1743 OE2 GLU A 107 8.967 0.379 13.249 1.00 25.40 O ATOM 0 H GLU A 107 9.282 -4.026 10.782 1.00 12.24 H new ATOM 0 HA GLU A 107 11.499 -3.923 12.742 1.00 25.05 H new ATOM 0 HB2 GLU A 107 8.763 -2.602 12.856 1.00 65.53 H new ATOM 0 HB3 GLU A 107 9.803 -2.787 14.254 1.00 65.53 H new ATOM 0 HG2 GLU A 107 11.586 -1.495 12.978 1.00 41.44 H new ATOM 0 HG3 GLU A 107 10.377 -1.171 11.751 1.00 41.44 H new TER 1750 GLU A 107