USER MOD reduce.3.24.130724 H: found=0, std=0, add=817, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 815 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 MET CE :methyl 173:sc= 0 (180deg=0) USER MOD Set 1.2: A 45 CYS SG : rot -150:sc= -1.39 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 154:sc= -0.0643 (180deg=-0.574) USER MOD Single : A 4 SER OG : rot 94:sc= 1.26 USER MOD Single : A 9 THR OG1 : rot 72:sc= 0.132 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= 0.0382 K(o=0.038,f=-0.95) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 51:sc= 0.263 USER MOD Single : A 46 CYS SG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 150:sc= -0.915 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -1.9 K(o=-1.9,f=-4.9!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.0989 K(o=-0.099,f=-1.4) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0.0457 USER MOD Single : A 86 CYS SG : rot -108:sc= 0.639 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 LYS NZ :NH3+ 130:sc= -0.0944 (180deg=-0.452) USER MOD Single : A 104 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.0331 USER MOD Single : A 109 ASN : amide:sc= -0.0815 X(o=-0.081,f=-0.41) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.387 -0.050 -0.274 1.00 50.01 N ATOM 2 CA MET A 1 3.224 -0.472 -1.391 1.00 71.12 C ATOM 3 C MET A 1 2.378 -1.084 -2.504 1.00 10.44 C ATOM 4 O MET A 1 2.715 -2.137 -3.045 1.00 24.04 O ATOM 5 CB MET A 1 4.272 -1.481 -0.918 1.00 60.33 C ATOM 6 CG MET A 1 3.677 -2.692 -0.218 1.00 2.03 C ATOM 7 SD MET A 1 4.277 -2.880 1.472 1.00 35.44 S ATOM 8 CE MET A 1 5.496 -4.175 1.257 1.00 51.50 C ATOM 0 H1 MET A 1 2.948 -0.057 0.602 1.00 50.01 H new ATOM 0 H2 MET A 1 2.031 0.911 -0.450 1.00 50.01 H new ATOM 0 H3 MET A 1 1.584 -0.703 -0.176 1.00 50.01 H new ATOM 0 HA MET A 1 3.730 0.409 -1.786 1.00 71.12 H new ATOM 0 HB2 MET A 1 4.854 -1.817 -1.776 1.00 60.33 H new ATOM 0 HB3 MET A 1 4.964 -0.983 -0.239 1.00 60.33 H new ATOM 0 HG2 MET A 1 2.591 -2.603 -0.206 1.00 2.03 H new ATOM 0 HG3 MET A 1 3.917 -3.590 -0.787 1.00 2.03 H new ATOM 0 HE1 MET A 1 5.957 -4.404 2.218 1.00 51.50 H new ATOM 0 HE2 MET A 1 5.012 -5.069 0.865 1.00 51.50 H new ATOM 0 HE3 MET A 1 6.262 -3.841 0.557 1.00 51.50 H new ATOM 18 N ILE A 2 1.279 -0.417 -2.839 1.00 52.24 N ATOM 19 CA ILE A 2 0.386 -0.895 -3.888 1.00 21.24 C ATOM 20 C ILE A 2 0.003 0.232 -4.841 1.00 4.24 C ATOM 21 O ILE A 2 -1.126 0.722 -4.841 1.00 32.13 O ATOM 22 CB ILE A 2 -0.896 -1.511 -3.297 1.00 54.24 C ATOM 23 CG1 ILE A 2 -1.507 -0.571 -2.256 1.00 3.22 C ATOM 24 CG2 ILE A 2 -0.597 -2.869 -2.682 1.00 21.41 C ATOM 25 CD1 ILE A 2 -3.009 -0.433 -2.373 1.00 24.15 C ATOM 0 H ILE A 2 0.985 0.455 -2.400 1.00 52.24 H new ATOM 0 HA ILE A 2 0.929 -1.663 -4.439 1.00 21.24 H new ATOM 0 HB ILE A 2 -1.618 -1.650 -4.101 1.00 54.24 H new ATOM 0 HG12 ILE A 2 -1.261 -0.937 -1.259 1.00 3.22 H new ATOM 0 HG13 ILE A 2 -1.051 0.414 -2.356 1.00 3.22 H new ATOM 0 HG21 ILE A 2 -1.513 -3.291 -2.269 1.00 21.41 H new ATOM 0 HG22 ILE A 2 -0.203 -3.537 -3.448 1.00 21.41 H new ATOM 0 HG23 ILE A 2 0.140 -2.754 -1.887 1.00 21.41 H new ATOM 0 HD11 ILE A 2 -3.373 0.248 -1.604 1.00 24.15 H new ATOM 0 HD12 ILE A 2 -3.263 -0.038 -3.357 1.00 24.15 H new ATOM 0 HD13 ILE A 2 -3.475 -1.410 -2.243 1.00 24.15 H new ATOM 37 N PRO A 3 0.965 0.654 -5.675 1.00 5.04 N ATOM 38 CA PRO A 3 0.753 1.727 -6.650 1.00 74.05 C ATOM 39 C PRO A 3 -0.179 1.305 -7.782 1.00 11.34 C ATOM 40 O PRO A 3 -0.111 0.176 -8.266 1.00 34.32 O ATOM 41 CB PRO A 3 2.159 2.000 -7.190 1.00 11.02 C ATOM 42 CG PRO A 3 2.898 0.723 -6.985 1.00 31.23 C ATOM 43 CD PRO A 3 2.335 0.116 -5.729 1.00 60.35 C ATOM 0 HA PRO A 3 0.278 2.599 -6.200 1.00 74.05 H new ATOM 0 HB2 PRO A 3 2.131 2.277 -8.244 1.00 11.02 H new ATOM 0 HB3 PRO A 3 2.635 2.823 -6.657 1.00 11.02 H new ATOM 0 HG2 PRO A 3 2.765 0.054 -7.835 1.00 31.23 H new ATOM 0 HG3 PRO A 3 3.968 0.903 -6.886 1.00 31.23 H new ATOM 0 HD2 PRO A 3 2.338 -0.973 -5.773 1.00 60.35 H new ATOM 0 HD3 PRO A 3 2.914 0.401 -4.850 1.00 60.35 H new ATOM 51 N SER A 4 -1.048 2.221 -8.199 1.00 32.45 N ATOM 52 CA SER A 4 -1.996 1.942 -9.271 1.00 31.00 C ATOM 53 C SER A 4 -2.918 0.787 -8.894 1.00 75.42 C ATOM 54 O SER A 4 -3.354 0.019 -9.753 1.00 12.50 O ATOM 55 CB SER A 4 -1.251 1.613 -10.566 1.00 52.32 C ATOM 56 OG SER A 4 -1.784 2.340 -11.660 1.00 12.34 O ATOM 0 H SER A 4 -1.115 3.162 -7.811 1.00 32.45 H new ATOM 0 HA SER A 4 -2.604 2.833 -9.426 1.00 31.00 H new ATOM 0 HB2 SER A 4 -0.193 1.848 -10.450 1.00 52.32 H new ATOM 0 HB3 SER A 4 -1.320 0.544 -10.767 1.00 52.32 H new ATOM 0 HG SER A 4 -1.270 3.165 -11.786 1.00 12.34 H new ATOM 62 N PHE A 5 -3.212 0.669 -7.603 1.00 62.34 N ATOM 63 CA PHE A 5 -4.081 -0.393 -7.111 1.00 35.21 C ATOM 64 C PHE A 5 -3.652 -1.749 -7.665 1.00 11.41 C ATOM 65 O PHE A 5 -4.169 -2.207 -8.683 1.00 40.24 O ATOM 66 CB PHE A 5 -5.535 -0.110 -7.495 1.00 33.12 C ATOM 67 CG PHE A 5 -6.387 0.324 -6.337 1.00 14.33 C ATOM 68 CD1 PHE A 5 -6.135 1.520 -5.684 1.00 11.01 C ATOM 69 CD2 PHE A 5 -7.440 -0.464 -5.901 1.00 14.45 C ATOM 70 CE1 PHE A 5 -6.917 1.923 -4.618 1.00 75.10 C ATOM 71 CE2 PHE A 5 -8.226 -0.066 -4.836 1.00 14.24 C ATOM 72 CZ PHE A 5 -7.964 1.128 -4.193 1.00 1.32 C ATOM 0 H PHE A 5 -2.861 1.296 -6.879 1.00 62.34 H new ATOM 0 HA PHE A 5 -3.998 -0.422 -6.025 1.00 35.21 H new ATOM 0 HB2 PHE A 5 -5.556 0.665 -8.262 1.00 33.12 H new ATOM 0 HB3 PHE A 5 -5.967 -1.008 -7.937 1.00 33.12 H new ATOM 0 HD1 PHE A 5 -5.318 2.145 -6.012 1.00 11.01 H new ATOM 0 HD2 PHE A 5 -7.649 -1.399 -6.399 1.00 14.45 H new ATOM 0 HE1 PHE A 5 -6.710 2.858 -4.118 1.00 75.10 H new ATOM 0 HE2 PHE A 5 -9.045 -0.688 -4.507 1.00 14.24 H new ATOM 0 HZ PHE A 5 -8.576 1.440 -3.360 1.00 1.32 H new ATOM 82 N ALA A 6 -2.702 -2.384 -6.987 1.00 35.54 N ATOM 83 CA ALA A 6 -2.204 -3.687 -7.409 1.00 60.41 C ATOM 84 C ALA A 6 -1.526 -3.600 -8.772 1.00 24.10 C ATOM 85 O ALA A 6 -2.118 -3.902 -9.808 1.00 34.52 O ATOM 86 CB ALA A 6 -3.339 -4.700 -7.446 1.00 50.02 C ATOM 0 H ALA A 6 -2.262 -2.017 -6.143 1.00 35.54 H new ATOM 0 HA ALA A 6 -1.461 -4.017 -6.683 1.00 60.41 H new ATOM 0 HB1 ALA A 6 -2.952 -5.668 -7.763 1.00 50.02 H new ATOM 0 HB2 ALA A 6 -3.777 -4.792 -6.452 1.00 50.02 H new ATOM 0 HB3 ALA A 6 -4.102 -4.366 -8.149 1.00 50.02 H new ATOM 92 N PRO A 7 -0.253 -3.176 -8.774 1.00 71.24 N ATOM 93 CA PRO A 7 0.533 -3.039 -10.004 1.00 23.11 C ATOM 94 C PRO A 7 0.879 -4.388 -10.625 1.00 32.45 C ATOM 95 O PRO A 7 1.351 -5.295 -9.940 1.00 12.01 O ATOM 96 CB PRO A 7 1.804 -2.325 -9.535 1.00 34.43 C ATOM 97 CG PRO A 7 1.924 -2.675 -8.092 1.00 33.33 C ATOM 98 CD PRO A 7 0.516 -2.799 -7.577 1.00 3.41 C ATOM 0 HA PRO A 7 -0.014 -2.502 -10.779 1.00 23.11 H new ATOM 0 HB2 PRO A 7 2.676 -2.659 -10.097 1.00 34.43 H new ATOM 0 HB3 PRO A 7 1.727 -1.247 -9.676 1.00 34.43 H new ATOM 0 HG2 PRO A 7 2.471 -3.609 -7.961 1.00 33.33 H new ATOM 0 HG3 PRO A 7 2.472 -1.906 -7.548 1.00 33.33 H new ATOM 0 HD2 PRO A 7 0.439 -3.555 -6.795 1.00 3.41 H new ATOM 0 HD3 PRO A 7 0.160 -1.861 -7.150 1.00 3.41 H new ATOM 106 N GLY A 8 0.641 -4.514 -11.927 1.00 35.34 N ATOM 107 CA GLY A 8 0.933 -5.757 -12.618 1.00 10.45 C ATOM 108 C GLY A 8 -0.317 -6.441 -13.134 1.00 50.34 C ATOM 109 O GLY A 8 -0.309 -7.641 -13.411 1.00 43.32 O ATOM 0 H GLY A 8 0.251 -3.778 -12.516 1.00 35.34 H new ATOM 0 HA2 GLY A 8 1.604 -5.556 -13.453 1.00 10.45 H new ATOM 0 HA3 GLY A 8 1.459 -6.430 -11.941 1.00 10.45 H new ATOM 113 N THR A 9 -1.397 -5.677 -13.264 1.00 54.20 N ATOM 114 CA THR A 9 -2.662 -6.217 -13.748 1.00 44.30 C ATOM 115 C THR A 9 -2.787 -6.053 -15.258 1.00 53.33 C ATOM 116 O THR A 9 -2.529 -4.977 -15.800 1.00 64.10 O ATOM 117 CB THR A 9 -3.862 -5.533 -13.067 1.00 51.31 C ATOM 118 OG1 THR A 9 -3.523 -5.171 -11.724 1.00 22.12 O ATOM 119 CG2 THR A 9 -5.075 -6.451 -13.060 1.00 12.44 C ATOM 0 H THR A 9 -1.421 -4.682 -13.041 1.00 54.20 H new ATOM 0 HA THR A 9 -2.669 -7.278 -13.499 1.00 44.30 H new ATOM 0 HB THR A 9 -4.109 -4.635 -13.633 1.00 51.31 H new ATOM 0 HG1 THR A 9 -2.899 -4.416 -11.736 1.00 22.12 H new ATOM 0 HG21 THR A 9 -5.910 -5.947 -12.574 1.00 12.44 H new ATOM 0 HG22 THR A 9 -5.349 -6.700 -14.085 1.00 12.44 H new ATOM 0 HG23 THR A 9 -4.837 -7.365 -12.516 1.00 12.44 H new ATOM 127 N LEU A 10 -3.186 -7.125 -15.934 1.00 14.41 N ATOM 128 CA LEU A 10 -3.347 -7.099 -17.384 1.00 35.24 C ATOM 129 C LEU A 10 -4.787 -6.770 -17.766 1.00 30.42 C ATOM 130 O LEU A 10 -5.714 -7.508 -17.429 1.00 43.24 O ATOM 131 CB LEU A 10 -2.943 -8.446 -17.985 1.00 60.31 C ATOM 132 CG LEU A 10 -2.547 -8.430 -19.462 1.00 22.12 C ATOM 133 CD1 LEU A 10 -1.943 -9.766 -19.867 1.00 44.51 C ATOM 134 CD2 LEU A 10 -3.750 -8.101 -20.333 1.00 50.42 C ATOM 0 H LEU A 10 -3.404 -8.023 -15.502 1.00 14.41 H new ATOM 0 HA LEU A 10 -2.698 -6.320 -17.784 1.00 35.24 H new ATOM 0 HB2 LEU A 10 -2.106 -8.842 -17.409 1.00 60.31 H new ATOM 0 HB3 LEU A 10 -3.773 -9.141 -17.860 1.00 60.31 H new ATOM 0 HG LEU A 10 -1.795 -7.655 -19.608 1.00 22.12 H new ATOM 0 HD11 LEU A 10 -1.667 -9.736 -20.921 1.00 44.51 H new ATOM 0 HD12 LEU A 10 -1.055 -9.961 -19.265 1.00 44.51 H new ATOM 0 HD13 LEU A 10 -2.673 -10.559 -19.705 1.00 44.51 H new ATOM 0 HD21 LEU A 10 -3.450 -8.094 -21.381 1.00 50.42 H new ATOM 0 HD22 LEU A 10 -4.525 -8.853 -20.183 1.00 50.42 H new ATOM 0 HD23 LEU A 10 -4.139 -7.120 -20.061 1.00 50.42 H new ATOM 146 N VAL A 11 -4.967 -5.659 -18.473 1.00 31.31 N ATOM 147 CA VAL A 11 -6.293 -5.234 -18.904 1.00 74.23 C ATOM 148 C VAL A 11 -6.337 -5.016 -20.412 1.00 41.25 C ATOM 149 O VAL A 11 -5.348 -5.238 -21.111 1.00 4.34 O ATOM 150 CB VAL A 11 -6.725 -3.936 -18.196 1.00 62.31 C ATOM 151 CG1 VAL A 11 -6.947 -4.186 -16.712 1.00 43.11 C ATOM 152 CG2 VAL A 11 -5.690 -2.843 -18.412 1.00 41.42 C ATOM 0 H VAL A 11 -4.211 -5.037 -18.759 1.00 31.31 H new ATOM 0 HA VAL A 11 -6.984 -6.033 -18.635 1.00 74.23 H new ATOM 0 HB VAL A 11 -7.668 -3.602 -18.629 1.00 62.31 H new ATOM 0 HG11 VAL A 11 -7.252 -3.258 -16.228 1.00 43.11 H new ATOM 0 HG12 VAL A 11 -7.727 -4.936 -16.582 1.00 43.11 H new ATOM 0 HG13 VAL A 11 -6.021 -4.543 -16.261 1.00 43.11 H new ATOM 0 HG21 VAL A 11 -6.011 -1.933 -17.905 1.00 41.42 H new ATOM 0 HG22 VAL A 11 -4.731 -3.165 -18.007 1.00 41.42 H new ATOM 0 HG23 VAL A 11 -5.586 -2.647 -19.479 1.00 41.42 H new ATOM 162 N TRP A 12 -7.489 -4.580 -20.908 1.00 51.52 N ATOM 163 CA TRP A 12 -7.662 -4.330 -22.335 1.00 24.31 C ATOM 164 C TRP A 12 -7.950 -2.857 -22.599 1.00 51.32 C ATOM 165 O TRP A 12 -8.785 -2.248 -21.930 1.00 15.44 O ATOM 166 CB TRP A 12 -8.796 -5.193 -22.891 1.00 12.54 C ATOM 167 CG TRP A 12 -8.344 -6.168 -23.935 1.00 54.32 C ATOM 168 CD1 TRP A 12 -7.551 -5.903 -25.015 1.00 72.10 C ATOM 169 CD2 TRP A 12 -8.661 -7.562 -24.000 1.00 20.54 C ATOM 170 NE1 TRP A 12 -7.356 -7.049 -25.747 1.00 23.51 N ATOM 171 CE2 TRP A 12 -8.025 -8.082 -25.144 1.00 52.55 C ATOM 172 CE3 TRP A 12 -9.418 -8.424 -23.201 1.00 4.13 C ATOM 173 CZ2 TRP A 12 -8.126 -9.422 -25.508 1.00 44.21 C ATOM 174 CZ3 TRP A 12 -9.517 -9.754 -23.563 1.00 44.31 C ATOM 175 CH2 TRP A 12 -8.873 -10.243 -24.708 1.00 10.52 C ATOM 0 H TRP A 12 -8.318 -4.392 -20.344 1.00 51.52 H new ATOM 0 HA TRP A 12 -6.733 -4.594 -22.840 1.00 24.31 H new ATOM 0 HB2 TRP A 12 -9.262 -5.740 -22.071 1.00 12.54 H new ATOM 0 HB3 TRP A 12 -9.561 -4.544 -23.317 1.00 12.54 H new ATOM 0 HD1 TRP A 12 -7.138 -4.935 -25.258 1.00 72.10 H new ATOM 0 HE1 TRP A 12 -6.803 -7.120 -26.601 1.00 23.51 H new ATOM 0 HE3 TRP A 12 -9.917 -8.057 -22.316 1.00 4.13 H new ATOM 0 HZ2 TRP A 12 -7.632 -9.800 -26.391 1.00 44.21 H new ATOM 0 HZ3 TRP A 12 -10.100 -10.428 -22.953 1.00 44.31 H new ATOM 0 HH2 TRP A 12 -8.968 -11.288 -24.964 1.00 10.52 H new ATOM 186 N LEU A 13 -7.255 -2.289 -23.578 1.00 41.43 N ATOM 187 CA LEU A 13 -7.437 -0.885 -23.931 1.00 51.12 C ATOM 188 C LEU A 13 -8.059 -0.748 -25.317 1.00 74.32 C ATOM 189 O LEU A 13 -7.402 -0.986 -26.331 1.00 14.20 O ATOM 190 CB LEU A 13 -6.097 -0.149 -23.887 1.00 23.33 C ATOM 191 CG LEU A 13 -6.135 1.283 -23.353 1.00 44.33 C ATOM 192 CD1 LEU A 13 -5.695 1.323 -21.898 1.00 33.21 C ATOM 193 CD2 LEU A 13 -5.257 2.192 -24.202 1.00 71.21 C ATOM 0 H LEU A 13 -6.560 -2.779 -24.142 1.00 41.43 H new ATOM 0 HA LEU A 13 -8.114 -0.438 -23.203 1.00 51.12 H new ATOM 0 HB2 LEU A 13 -5.408 -0.727 -23.271 1.00 23.33 H new ATOM 0 HB3 LEU A 13 -5.683 -0.129 -24.895 1.00 23.33 H new ATOM 0 HG LEU A 13 -7.162 1.644 -23.411 1.00 44.33 H new ATOM 0 HD11 LEU A 13 -5.729 2.351 -21.536 1.00 33.21 H new ATOM 0 HD12 LEU A 13 -6.363 0.705 -21.299 1.00 33.21 H new ATOM 0 HD13 LEU A 13 -4.677 0.942 -21.815 1.00 33.21 H new ATOM 0 HD21 LEU A 13 -5.296 3.207 -23.808 1.00 71.21 H new ATOM 0 HD22 LEU A 13 -4.229 1.832 -24.176 1.00 71.21 H new ATOM 0 HD23 LEU A 13 -5.617 2.188 -25.231 1.00 71.21 H new ATOM 205 N LYS A 14 -9.330 -0.362 -25.354 1.00 11.20 N ATOM 206 CA LYS A 14 -10.042 -0.189 -26.615 1.00 24.31 C ATOM 207 C LYS A 14 -10.232 1.290 -26.934 1.00 40.03 C ATOM 208 O LYS A 14 -11.000 1.983 -26.268 1.00 53.44 O ATOM 209 CB LYS A 14 -11.402 -0.889 -26.556 1.00 43.55 C ATOM 210 CG LYS A 14 -12.048 -1.075 -27.918 1.00 74.50 C ATOM 211 CD LYS A 14 -13.326 -1.892 -27.821 1.00 14.30 C ATOM 212 CE LYS A 14 -14.489 -1.049 -27.319 1.00 20.21 C ATOM 213 NZ LYS A 14 -15.657 -1.111 -28.240 1.00 53.02 N ATOM 0 H LYS A 14 -9.889 -0.163 -24.524 1.00 11.20 H new ATOM 0 HA LYS A 14 -9.443 -0.639 -27.407 1.00 24.31 H new ATOM 0 HB2 LYS A 14 -11.280 -1.864 -26.085 1.00 43.55 H new ATOM 0 HB3 LYS A 14 -12.072 -0.310 -25.921 1.00 43.55 H new ATOM 0 HG2 LYS A 14 -12.270 -0.100 -28.353 1.00 74.50 H new ATOM 0 HG3 LYS A 14 -11.347 -1.572 -28.589 1.00 74.50 H new ATOM 0 HD2 LYS A 14 -13.570 -2.305 -28.800 1.00 14.30 H new ATOM 0 HD3 LYS A 14 -13.170 -2.736 -27.149 1.00 14.30 H new ATOM 0 HE2 LYS A 14 -14.788 -1.395 -26.330 1.00 20.21 H new ATOM 0 HE3 LYS A 14 -14.167 -0.013 -27.210 1.00 20.21 H new ATOM 0 HZ1 LYS A 14 -16.428 -0.524 -27.863 1.00 53.02 H new ATOM 0 HZ2 LYS A 14 -15.379 -0.757 -29.178 1.00 53.02 H new ATOM 0 HZ3 LYS A 14 -15.981 -2.096 -28.324 1.00 53.02 H new ATOM 227 N GLN A 15 -9.529 1.765 -27.957 1.00 42.21 N ATOM 228 CA GLN A 15 -9.622 3.162 -28.364 1.00 51.22 C ATOM 229 C GLN A 15 -10.971 3.451 -29.014 1.00 14.02 C ATOM 230 O GLN A 15 -11.769 2.541 -29.241 1.00 15.54 O ATOM 231 CB GLN A 15 -8.491 3.509 -29.334 1.00 11.52 C ATOM 232 CG GLN A 15 -7.509 4.531 -28.783 1.00 31.55 C ATOM 233 CD GLN A 15 -7.661 5.894 -29.427 1.00 53.05 C ATOM 234 OE1 GLN A 15 -8.589 6.641 -29.116 1.00 33.13 O ATOM 235 NE2 GLN A 15 -6.748 6.226 -30.333 1.00 13.34 N ATOM 0 H GLN A 15 -8.889 1.203 -28.519 1.00 42.21 H new ATOM 0 HA GLN A 15 -9.529 3.781 -27.472 1.00 51.22 H new ATOM 0 HB2 GLN A 15 -7.950 2.598 -29.589 1.00 11.52 H new ATOM 0 HB3 GLN A 15 -8.922 3.893 -30.259 1.00 11.52 H new ATOM 0 HG2 GLN A 15 -7.653 4.624 -27.707 1.00 31.55 H new ATOM 0 HG3 GLN A 15 -6.492 4.172 -28.938 1.00 31.55 H new ATOM 0 HE21 GLN A 15 -5.995 5.576 -30.560 1.00 13.34 H new ATOM 0 HE22 GLN A 15 -6.800 7.131 -30.801 1.00 13.34 H new ATOM 244 N ASP A 16 -11.220 4.722 -29.310 1.00 65.14 N ATOM 245 CA ASP A 16 -12.472 5.131 -29.935 1.00 34.32 C ATOM 246 C ASP A 16 -12.615 4.512 -31.322 1.00 14.11 C ATOM 247 O ASP A 16 -13.577 3.794 -31.596 1.00 13.40 O ATOM 248 CB ASP A 16 -12.544 6.655 -30.033 1.00 14.42 C ATOM 249 CG ASP A 16 -13.245 7.280 -28.842 1.00 61.41 C ATOM 250 OD1 ASP A 16 -14.411 7.700 -28.993 1.00 35.12 O ATOM 251 OD2 ASP A 16 -12.627 7.347 -27.759 1.00 51.12 O ATOM 0 H ASP A 16 -10.571 5.487 -29.127 1.00 65.14 H new ATOM 0 HA ASP A 16 -13.293 4.776 -29.312 1.00 34.32 H new ATOM 0 HB2 ASP A 16 -11.535 7.059 -30.110 1.00 14.42 H new ATOM 0 HB3 ASP A 16 -13.069 6.933 -30.947 1.00 14.42 H new ATOM 256 N ARG A 17 -11.653 4.796 -32.193 1.00 42.31 N ATOM 257 CA ARG A 17 -11.673 4.270 -33.552 1.00 61.25 C ATOM 258 C ARG A 17 -10.774 3.043 -33.674 1.00 4.03 C ATOM 259 O ARG A 17 -11.007 2.170 -34.510 1.00 24.45 O ATOM 260 CB ARG A 17 -11.225 5.344 -34.545 1.00 5.11 C ATOM 261 CG ARG A 17 -10.884 4.797 -35.922 1.00 5.45 C ATOM 262 CD ARG A 17 -11.333 5.744 -37.024 1.00 24.13 C ATOM 263 NE ARG A 17 -10.361 6.808 -37.261 1.00 0.11 N ATOM 264 CZ ARG A 17 -9.207 6.622 -37.892 1.00 51.43 C ATOM 265 NH1 ARG A 17 -8.883 5.420 -38.348 1.00 2.23 N ATOM 266 NH2 ARG A 17 -8.375 7.641 -38.070 1.00 31.34 N ATOM 0 H ARG A 17 -10.850 5.388 -31.982 1.00 42.31 H new ATOM 0 HA ARG A 17 -12.696 3.974 -33.784 1.00 61.25 H new ATOM 0 HB2 ARG A 17 -12.016 6.087 -34.644 1.00 5.11 H new ATOM 0 HB3 ARG A 17 -10.353 5.859 -34.142 1.00 5.11 H new ATOM 0 HG2 ARG A 17 -9.808 4.636 -35.995 1.00 5.45 H new ATOM 0 HG3 ARG A 17 -11.361 3.827 -36.058 1.00 5.45 H new ATOM 0 HD2 ARG A 17 -11.487 5.182 -37.945 1.00 24.13 H new ATOM 0 HD3 ARG A 17 -12.293 6.184 -36.755 1.00 24.13 H new ATOM 0 HE ARG A 17 -10.580 7.745 -36.924 1.00 0.11 H new ATOM 0 HH11 ARG A 17 -9.521 4.635 -38.215 1.00 2.23 H new ATOM 0 HH12 ARG A 17 -7.996 5.280 -38.832 1.00 2.23 H new ATOM 0 HH21 ARG A 17 -8.622 8.568 -37.722 1.00 31.34 H new ATOM 0 HH22 ARG A 17 -7.489 7.497 -38.555 1.00 31.34 H new ATOM 280 N PHE A 18 -9.745 2.985 -32.834 1.00 60.43 N ATOM 281 CA PHE A 18 -8.809 1.866 -32.848 1.00 55.02 C ATOM 282 C PHE A 18 -9.376 0.674 -32.083 1.00 31.40 C ATOM 283 O PHE A 18 -10.245 0.812 -31.221 1.00 44.55 O ATOM 284 CB PHE A 18 -7.470 2.287 -32.240 1.00 63.53 C ATOM 285 CG PHE A 18 -6.365 2.410 -33.251 1.00 34.22 C ATOM 286 CD1 PHE A 18 -5.146 1.786 -33.043 1.00 44.22 C ATOM 287 CD2 PHE A 18 -6.547 3.150 -34.408 1.00 62.31 C ATOM 288 CE1 PHE A 18 -4.127 1.897 -33.971 1.00 53.32 C ATOM 289 CE2 PHE A 18 -5.532 3.264 -35.340 1.00 15.02 C ATOM 290 CZ PHE A 18 -4.321 2.638 -35.121 1.00 2.14 C ATOM 0 H PHE A 18 -9.538 3.699 -32.136 1.00 60.43 H new ATOM 0 HA PHE A 18 -8.652 1.568 -33.885 1.00 55.02 H new ATOM 0 HB2 PHE A 18 -7.595 3.243 -31.732 1.00 63.53 H new ATOM 0 HB3 PHE A 18 -7.179 1.559 -31.482 1.00 63.53 H new ATOM 0 HD1 PHE A 18 -4.990 1.206 -32.145 1.00 44.22 H new ATOM 0 HD2 PHE A 18 -7.492 3.643 -34.584 1.00 62.31 H new ATOM 0 HE1 PHE A 18 -3.181 1.405 -33.797 1.00 53.32 H new ATOM 0 HE2 PHE A 18 -5.686 3.842 -36.239 1.00 15.02 H new ATOM 0 HZ PHE A 18 -3.527 2.727 -35.847 1.00 2.14 H new ATOM 300 N PRO A 19 -8.874 -0.528 -32.405 1.00 1.25 N ATOM 301 CA PRO A 19 -9.315 -1.768 -31.760 1.00 23.41 C ATOM 302 C PRO A 19 -8.862 -1.859 -30.307 1.00 21.14 C ATOM 303 O PRO A 19 -8.354 -0.889 -29.743 1.00 72.44 O ATOM 304 CB PRO A 19 -8.645 -2.861 -32.598 1.00 14.33 C ATOM 305 CG PRO A 19 -7.449 -2.202 -33.192 1.00 64.23 C ATOM 306 CD PRO A 19 -7.837 -0.768 -33.422 1.00 4.32 C ATOM 0 HA PRO A 19 -10.402 -1.844 -31.724 1.00 23.41 H new ATOM 0 HB2 PRO A 19 -8.362 -3.715 -31.982 1.00 14.33 H new ATOM 0 HB3 PRO A 19 -9.316 -3.235 -33.371 1.00 14.33 H new ATOM 0 HG2 PRO A 19 -6.592 -2.272 -32.522 1.00 64.23 H new ATOM 0 HG3 PRO A 19 -7.162 -2.683 -34.127 1.00 64.23 H new ATOM 0 HD2 PRO A 19 -6.988 -0.097 -33.296 1.00 4.32 H new ATOM 0 HD3 PRO A 19 -8.220 -0.612 -34.431 1.00 4.32 H new ATOM 314 N TRP A 20 -9.049 -3.029 -29.706 1.00 4.41 N ATOM 315 CA TRP A 20 -8.658 -3.245 -28.317 1.00 73.33 C ATOM 316 C TRP A 20 -7.400 -4.102 -28.233 1.00 31.32 C ATOM 317 O TRP A 20 -7.351 -5.204 -28.780 1.00 41.10 O ATOM 318 CB TRP A 20 -9.797 -3.912 -27.544 1.00 53.10 C ATOM 319 CG TRP A 20 -10.344 -5.130 -28.224 1.00 62.44 C ATOM 320 CD1 TRP A 20 -9.981 -6.427 -27.999 1.00 24.44 C ATOM 321 CD2 TRP A 20 -11.350 -5.165 -29.243 1.00 2.35 C ATOM 322 NE1 TRP A 20 -10.700 -7.266 -28.815 1.00 74.01 N ATOM 323 CE2 TRP A 20 -11.548 -6.516 -29.587 1.00 62.21 C ATOM 324 CE3 TRP A 20 -12.104 -4.186 -29.895 1.00 51.10 C ATOM 325 CZ2 TRP A 20 -12.467 -6.910 -30.556 1.00 33.15 C ATOM 326 CZ3 TRP A 20 -13.016 -4.579 -30.856 1.00 51.51 C ATOM 327 CH2 TRP A 20 -13.192 -5.931 -31.179 1.00 11.35 C ATOM 0 H TRP A 20 -9.468 -3.842 -30.158 1.00 4.41 H new ATOM 0 HA TRP A 20 -8.444 -2.274 -27.870 1.00 73.33 H new ATOM 0 HB2 TRP A 20 -9.440 -4.188 -26.552 1.00 53.10 H new ATOM 0 HB3 TRP A 20 -10.602 -3.191 -27.404 1.00 53.10 H new ATOM 0 HD1 TRP A 20 -9.237 -6.746 -27.284 1.00 24.44 H new ATOM 0 HE1 TRP A 20 -10.616 -8.282 -28.842 1.00 74.01 H new ATOM 0 HE3 TRP A 20 -11.976 -3.141 -29.652 1.00 51.10 H new ATOM 0 HZ2 TRP A 20 -12.603 -7.952 -30.807 1.00 33.15 H new ATOM 0 HZ3 TRP A 20 -13.604 -3.831 -31.367 1.00 51.51 H new ATOM 0 HH2 TRP A 20 -13.914 -6.206 -31.934 1.00 11.35 H new ATOM 338 N TRP A 21 -6.386 -3.590 -27.545 1.00 33.43 N ATOM 339 CA TRP A 21 -5.127 -4.311 -27.389 1.00 54.51 C ATOM 340 C TRP A 21 -4.794 -4.512 -25.915 1.00 0.40 C ATOM 341 O TRP A 21 -5.150 -3.703 -25.058 1.00 31.05 O ATOM 342 CB TRP A 21 -3.994 -3.553 -28.082 1.00 62.14 C ATOM 343 CG TRP A 21 -3.428 -4.282 -29.264 1.00 1.14 C ATOM 344 CD1 TRP A 21 -2.163 -4.780 -29.390 1.00 22.52 C ATOM 345 CD2 TRP A 21 -4.107 -4.592 -30.485 1.00 52.32 C ATOM 346 NE1 TRP A 21 -2.015 -5.382 -30.616 1.00 44.45 N ATOM 347 CE2 TRP A 21 -3.193 -5.280 -31.307 1.00 33.10 C ATOM 348 CE3 TRP A 21 -5.399 -4.357 -30.964 1.00 43.32 C ATOM 349 CZ2 TRP A 21 -3.532 -5.733 -32.579 1.00 44.14 C ATOM 350 CZ3 TRP A 21 -5.733 -4.806 -32.227 1.00 62.44 C ATOM 351 CH2 TRP A 21 -4.803 -5.489 -33.023 1.00 1.20 C ATOM 0 H TRP A 21 -6.410 -2.679 -27.086 1.00 33.43 H new ATOM 0 HA TRP A 21 -5.237 -5.291 -27.854 1.00 54.51 H new ATOM 0 HB2 TRP A 21 -4.363 -2.580 -28.407 1.00 62.14 H new ATOM 0 HB3 TRP A 21 -3.197 -3.368 -27.362 1.00 62.14 H new ATOM 0 HD1 TRP A 21 -1.392 -4.711 -28.637 1.00 22.52 H new ATOM 0 HE1 TRP A 21 -1.165 -5.832 -30.956 1.00 44.45 H new ATOM 0 HE3 TRP A 21 -6.123 -3.834 -30.357 1.00 43.32 H new ATOM 0 HZ2 TRP A 21 -2.817 -6.259 -33.194 1.00 44.14 H new ATOM 0 HZ3 TRP A 21 -6.728 -4.628 -32.608 1.00 62.44 H new ATOM 0 HH2 TRP A 21 -5.095 -5.829 -34.005 1.00 1.20 H new ATOM 362 N PRO A 22 -4.094 -5.615 -25.610 1.00 51.45 N ATOM 363 CA PRO A 22 -3.697 -5.947 -24.239 1.00 43.50 C ATOM 364 C PRO A 22 -2.629 -5.001 -23.700 1.00 64.21 C ATOM 365 O PRO A 22 -1.755 -4.550 -24.439 1.00 40.14 O ATOM 366 CB PRO A 22 -3.140 -7.367 -24.365 1.00 43.30 C ATOM 367 CG PRO A 22 -2.689 -7.473 -25.781 1.00 51.40 C ATOM 368 CD PRO A 22 -3.636 -6.622 -26.582 1.00 32.33 C ATOM 0 HA PRO A 22 -4.530 -5.862 -23.541 1.00 43.50 H new ATOM 0 HB2 PRO A 22 -2.314 -7.531 -23.673 1.00 43.30 H new ATOM 0 HB3 PRO A 22 -3.901 -8.113 -24.135 1.00 43.30 H new ATOM 0 HG2 PRO A 22 -1.662 -7.124 -25.891 1.00 51.40 H new ATOM 0 HG3 PRO A 22 -2.712 -8.508 -26.121 1.00 51.40 H new ATOM 0 HD2 PRO A 22 -3.138 -6.160 -27.435 1.00 32.33 H new ATOM 0 HD3 PRO A 22 -4.467 -7.207 -26.976 1.00 32.33 H new ATOM 376 N GLY A 23 -2.705 -4.706 -22.406 1.00 5.41 N ATOM 377 CA GLY A 23 -1.738 -3.816 -21.790 1.00 43.42 C ATOM 378 C GLY A 23 -1.662 -3.992 -20.287 1.00 34.14 C ATOM 379 O GLY A 23 -2.689 -4.068 -19.611 1.00 61.40 O ATOM 0 H GLY A 23 -3.419 -5.067 -21.773 1.00 5.41 H new ATOM 0 HA2 GLY A 23 -0.755 -3.997 -22.224 1.00 43.42 H new ATOM 0 HA3 GLY A 23 -2.002 -2.784 -22.019 1.00 43.42 H new ATOM 383 N PHE A 24 -0.444 -4.059 -19.760 1.00 40.15 N ATOM 384 CA PHE A 24 -0.239 -4.230 -18.327 1.00 25.40 C ATOM 385 C PHE A 24 -0.266 -2.884 -17.609 1.00 32.54 C ATOM 386 O PHE A 24 0.503 -1.979 -17.932 1.00 73.25 O ATOM 387 CB PHE A 24 1.093 -4.935 -18.062 1.00 23.41 C ATOM 388 CG PHE A 24 1.458 -5.943 -19.114 1.00 71.41 C ATOM 389 CD1 PHE A 24 0.721 -7.108 -19.262 1.00 3.51 C ATOM 390 CD2 PHE A 24 2.538 -5.727 -19.955 1.00 54.11 C ATOM 391 CE1 PHE A 24 1.054 -8.037 -20.229 1.00 72.04 C ATOM 392 CE2 PHE A 24 2.875 -6.652 -20.925 1.00 35.44 C ATOM 393 CZ PHE A 24 2.133 -7.809 -21.061 1.00 74.41 C ATOM 0 H PHE A 24 0.416 -3.997 -20.304 1.00 40.15 H new ATOM 0 HA PHE A 24 -1.052 -4.845 -17.940 1.00 25.40 H new ATOM 0 HB2 PHE A 24 1.884 -4.188 -17.997 1.00 23.41 H new ATOM 0 HB3 PHE A 24 1.045 -5.433 -17.094 1.00 23.41 H new ATOM 0 HD1 PHE A 24 -0.123 -7.291 -18.614 1.00 3.51 H new ATOM 0 HD2 PHE A 24 3.123 -4.825 -19.851 1.00 54.11 H new ATOM 0 HE1 PHE A 24 0.471 -8.940 -20.334 1.00 72.04 H new ATOM 0 HE2 PHE A 24 3.717 -6.470 -21.576 1.00 35.44 H new ATOM 0 HZ PHE A 24 2.396 -8.534 -21.817 1.00 74.41 H new ATOM 403 N VAL A 25 -1.159 -2.760 -16.631 1.00 63.23 N ATOM 404 CA VAL A 25 -1.287 -1.526 -15.866 1.00 14.10 C ATOM 405 C VAL A 25 -0.126 -1.360 -14.892 1.00 15.40 C ATOM 406 O VAL A 25 0.050 -2.164 -13.978 1.00 33.15 O ATOM 407 CB VAL A 25 -2.612 -1.488 -15.080 1.00 63.34 C ATOM 408 CG1 VAL A 25 -2.684 -0.239 -14.215 1.00 72.32 C ATOM 409 CG2 VAL A 25 -3.797 -1.558 -16.031 1.00 50.54 C ATOM 0 H VAL A 25 -1.804 -3.499 -16.351 1.00 63.23 H new ATOM 0 HA VAL A 25 -1.275 -0.706 -16.584 1.00 14.10 H new ATOM 0 HB VAL A 25 -2.651 -2.357 -14.424 1.00 63.34 H new ATOM 0 HG11 VAL A 25 -3.626 -0.229 -13.667 1.00 72.32 H new ATOM 0 HG12 VAL A 25 -1.854 -0.237 -13.509 1.00 72.32 H new ATOM 0 HG13 VAL A 25 -2.623 0.646 -14.848 1.00 72.32 H new ATOM 0 HG21 VAL A 25 -4.725 -1.530 -15.459 1.00 50.54 H new ATOM 0 HG22 VAL A 25 -3.766 -0.709 -16.714 1.00 50.54 H new ATOM 0 HG23 VAL A 25 -3.751 -2.485 -16.602 1.00 50.54 H new ATOM 419 N MET A 26 0.663 -0.310 -15.094 1.00 52.24 N ATOM 420 CA MET A 26 1.807 -0.037 -14.232 1.00 51.33 C ATOM 421 C MET A 26 1.875 1.444 -13.871 1.00 75.23 C ATOM 422 O MET A 26 1.597 2.308 -14.703 1.00 15.34 O ATOM 423 CB MET A 26 3.105 -0.466 -14.920 1.00 15.23 C ATOM 424 CG MET A 26 3.134 -1.938 -15.297 1.00 25.14 C ATOM 425 SD MET A 26 4.658 -2.755 -14.785 1.00 63.21 S ATOM 426 CE MET A 26 5.805 -2.130 -16.010 1.00 64.14 C ATOM 0 H MET A 26 0.531 0.366 -15.847 1.00 52.24 H new ATOM 0 HA MET A 26 1.684 -0.611 -13.314 1.00 51.33 H new ATOM 0 HB2 MET A 26 3.246 0.134 -15.819 1.00 15.23 H new ATOM 0 HB3 MET A 26 3.945 -0.252 -14.259 1.00 15.23 H new ATOM 0 HG2 MET A 26 2.284 -2.443 -14.839 1.00 25.14 H new ATOM 0 HG3 MET A 26 3.019 -2.035 -16.377 1.00 25.14 H new ATOM 0 HE1 MET A 26 6.817 -2.445 -15.755 1.00 64.14 H new ATOM 0 HE2 MET A 26 5.539 -2.523 -16.991 1.00 64.14 H new ATOM 0 HE3 MET A 26 5.758 -1.041 -16.030 1.00 64.14 H new ATOM 436 N ASP A 27 2.245 1.728 -12.628 1.00 11.52 N ATOM 437 CA ASP A 27 2.350 3.105 -12.157 1.00 74.13 C ATOM 438 C ASP A 27 3.742 3.667 -12.428 1.00 55.32 C ATOM 439 O ASP A 27 4.742 2.951 -12.407 1.00 24.42 O ATOM 440 CB ASP A 27 2.038 3.180 -10.662 1.00 14.41 C ATOM 441 CG ASP A 27 0.911 4.146 -10.354 1.00 14.43 C ATOM 442 OD1 ASP A 27 -0.031 4.240 -11.169 1.00 43.24 O ATOM 443 OD2 ASP A 27 0.969 4.808 -9.296 1.00 63.04 O ATOM 0 H ASP A 27 2.477 1.024 -11.928 1.00 11.52 H new ATOM 0 HA ASP A 27 1.623 3.706 -12.702 1.00 74.13 H new ATOM 0 HB2 ASP A 27 1.771 2.187 -10.299 1.00 14.41 H new ATOM 0 HB3 ASP A 27 2.934 3.487 -10.122 1.00 14.41 H new ATOM 448 N PRO A 28 3.809 4.981 -12.690 1.00 54.03 N ATOM 449 CA PRO A 28 5.072 5.669 -12.971 1.00 64.31 C ATOM 450 C PRO A 28 5.964 5.770 -11.738 1.00 72.41 C ATOM 451 O PRO A 28 7.182 5.617 -11.827 1.00 62.50 O ATOM 452 CB PRO A 28 4.626 7.061 -13.423 1.00 54.14 C ATOM 453 CG PRO A 28 3.293 7.257 -12.786 1.00 44.21 C ATOM 454 CD PRO A 28 2.656 5.896 -12.732 1.00 51.43 C ATOM 0 HA PRO A 28 5.669 5.137 -13.711 1.00 64.31 H new ATOM 0 HB2 PRO A 28 5.334 7.826 -13.104 1.00 54.14 H new ATOM 0 HB3 PRO A 28 4.559 7.122 -14.509 1.00 54.14 H new ATOM 0 HG2 PRO A 28 3.396 7.679 -11.787 1.00 44.21 H new ATOM 0 HG3 PRO A 28 2.683 7.951 -13.364 1.00 44.21 H new ATOM 0 HD2 PRO A 28 2.022 5.784 -11.853 1.00 51.43 H new ATOM 0 HD3 PRO A 28 2.028 5.711 -13.604 1.00 51.43 H new ATOM 462 N ASP A 29 5.349 6.027 -10.589 1.00 41.50 N ATOM 463 CA ASP A 29 6.087 6.147 -9.337 1.00 44.21 C ATOM 464 C ASP A 29 5.139 6.404 -8.170 1.00 5.42 C ATOM 465 O ASP A 29 5.380 7.287 -7.346 1.00 74.44 O ATOM 466 CB ASP A 29 7.116 7.275 -9.433 1.00 22.12 C ATOM 467 CG ASP A 29 8.408 6.942 -8.713 1.00 45.13 C ATOM 468 OD1 ASP A 29 9.489 7.217 -9.276 1.00 61.33 O ATOM 469 OD2 ASP A 29 8.339 6.408 -7.587 1.00 23.11 O ATOM 0 H ASP A 29 4.341 6.156 -10.499 1.00 41.50 H new ATOM 0 HA ASP A 29 6.607 5.206 -9.158 1.00 44.21 H new ATOM 0 HB2 ASP A 29 7.330 7.479 -10.482 1.00 22.12 H new ATOM 0 HB3 ASP A 29 6.692 8.186 -9.011 1.00 22.12 H new ATOM 474 N GLU A 30 4.062 5.628 -8.107 1.00 11.41 N ATOM 475 CA GLU A 30 3.077 5.774 -7.041 1.00 43.43 C ATOM 476 C GLU A 30 2.404 7.142 -7.107 1.00 14.12 C ATOM 477 O GLU A 30 2.807 8.079 -6.417 1.00 71.14 O ATOM 478 CB GLU A 30 3.740 5.585 -5.675 1.00 72.11 C ATOM 479 CG GLU A 30 4.684 4.396 -5.616 1.00 44.33 C ATOM 480 CD GLU A 30 4.612 3.658 -4.294 1.00 35.01 C ATOM 481 OE1 GLU A 30 4.262 2.459 -4.303 1.00 62.11 O ATOM 482 OE2 GLU A 30 4.903 4.279 -3.250 1.00 62.54 O ATOM 0 H GLU A 30 3.849 4.892 -8.781 1.00 11.41 H new ATOM 0 HA GLU A 30 2.315 5.006 -7.176 1.00 43.43 H new ATOM 0 HB2 GLU A 30 4.292 6.490 -5.420 1.00 72.11 H new ATOM 0 HB3 GLU A 30 2.965 5.461 -4.918 1.00 72.11 H new ATOM 0 HG2 GLU A 30 4.445 3.707 -6.426 1.00 44.33 H new ATOM 0 HG3 GLU A 30 5.705 4.739 -5.781 1.00 44.33 H new ATOM 489 N VAL A 31 1.375 7.249 -7.942 1.00 13.05 N ATOM 490 CA VAL A 31 0.644 8.501 -8.098 1.00 32.13 C ATOM 491 C VAL A 31 -0.620 8.510 -7.245 1.00 23.32 C ATOM 492 O VAL A 31 -1.485 9.371 -7.407 1.00 63.55 O ATOM 493 CB VAL A 31 0.259 8.746 -9.569 1.00 12.32 C ATOM 494 CG1 VAL A 31 1.501 8.793 -10.445 1.00 71.45 C ATOM 495 CG2 VAL A 31 -0.706 7.674 -10.053 1.00 24.14 C ATOM 0 H VAL A 31 1.029 6.484 -8.521 1.00 13.05 H new ATOM 0 HA VAL A 31 1.308 9.299 -7.766 1.00 32.13 H new ATOM 0 HB VAL A 31 -0.242 9.711 -9.640 1.00 12.32 H new ATOM 0 HG11 VAL A 31 1.209 8.967 -11.481 1.00 71.45 H new ATOM 0 HG12 VAL A 31 2.152 9.601 -10.111 1.00 71.45 H new ATOM 0 HG13 VAL A 31 2.034 7.845 -10.372 1.00 71.45 H new ATOM 0 HG21 VAL A 31 -0.967 7.863 -11.094 1.00 24.14 H new ATOM 0 HG22 VAL A 31 -0.234 6.695 -9.969 1.00 24.14 H new ATOM 0 HG23 VAL A 31 -1.609 7.695 -9.443 1.00 24.14 H new ATOM 505 N ARG A 32 -0.719 7.546 -6.335 1.00 14.32 N ATOM 506 CA ARG A 32 -1.878 7.442 -5.456 1.00 10.51 C ATOM 507 C ARG A 32 -1.704 8.321 -4.221 1.00 10.42 C ATOM 508 O ARG A 32 -2.677 8.842 -3.675 1.00 31.43 O ATOM 509 CB ARG A 32 -2.096 5.988 -5.034 1.00 1.34 C ATOM 510 CG ARG A 32 -3.041 5.832 -3.854 1.00 75.20 C ATOM 511 CD ARG A 32 -3.219 4.371 -3.472 1.00 64.52 C ATOM 512 NE ARG A 32 -3.457 4.204 -2.041 1.00 75.21 N ATOM 513 CZ ARG A 32 -2.512 4.337 -1.118 1.00 23.42 C ATOM 514 NH1 ARG A 32 -1.270 4.637 -1.474 1.00 33.30 N ATOM 515 NH2 ARG A 32 -2.807 4.170 0.165 1.00 20.50 N ATOM 0 H ARG A 32 -0.011 6.826 -6.187 1.00 14.32 H new ATOM 0 HA ARG A 32 -2.753 7.788 -6.007 1.00 10.51 H new ATOM 0 HB2 ARG A 32 -2.491 5.428 -5.882 1.00 1.34 H new ATOM 0 HB3 ARG A 32 -1.134 5.544 -4.779 1.00 1.34 H new ATOM 0 HG2 ARG A 32 -2.653 6.388 -3.000 1.00 75.20 H new ATOM 0 HG3 ARG A 32 -4.010 6.265 -4.103 1.00 75.20 H new ATOM 0 HD2 ARG A 32 -4.055 3.950 -4.030 1.00 64.52 H new ATOM 0 HD3 ARG A 32 -2.329 3.810 -3.759 1.00 64.52 H new ATOM 0 HE ARG A 32 -4.402 3.972 -1.734 1.00 75.21 H new ATOM 0 HH11 ARG A 32 -1.039 4.766 -2.459 1.00 33.30 H new ATOM 0 HH12 ARG A 32 -0.546 4.739 -0.763 1.00 33.30 H new ATOM 0 HH21 ARG A 32 -3.761 3.939 0.443 1.00 20.50 H new ATOM 0 HH22 ARG A 32 -2.080 4.272 0.873 1.00 20.50 H new ATOM 529 N ASP A 33 -0.459 8.482 -3.786 1.00 31.41 N ATOM 530 CA ASP A 33 -0.157 9.298 -2.616 1.00 31.23 C ATOM 531 C ASP A 33 0.461 10.630 -3.027 1.00 53.53 C ATOM 532 O ASP A 33 0.246 11.653 -2.375 1.00 64.31 O ATOM 533 CB ASP A 33 0.791 8.550 -1.677 1.00 43.20 C ATOM 534 CG ASP A 33 0.116 8.130 -0.386 1.00 43.41 C ATOM 535 OD1 ASP A 33 -1.053 7.694 -0.442 1.00 65.40 O ATOM 536 OD2 ASP A 33 0.757 8.238 0.680 1.00 22.31 O ATOM 0 H ASP A 33 0.358 8.058 -4.226 1.00 31.41 H new ATOM 0 HA ASP A 33 -1.092 9.498 -2.092 1.00 31.23 H new ATOM 0 HB2 ASP A 33 1.179 7.667 -2.185 1.00 43.20 H new ATOM 0 HB3 ASP A 33 1.646 9.186 -1.446 1.00 43.20 H new ATOM 541 N ILE A 34 1.228 10.611 -4.112 1.00 2.13 N ATOM 542 CA ILE A 34 1.877 11.818 -4.610 1.00 33.23 C ATOM 543 C ILE A 34 1.265 12.264 -5.933 1.00 50.42 C ATOM 544 O ILE A 34 1.366 11.568 -6.944 1.00 20.12 O ATOM 545 CB ILE A 34 3.390 11.605 -4.802 1.00 51.23 C ATOM 546 CG1 ILE A 34 4.037 11.170 -3.486 1.00 45.20 C ATOM 547 CG2 ILE A 34 4.041 12.877 -5.324 1.00 42.14 C ATOM 548 CD1 ILE A 34 4.371 9.696 -3.435 1.00 32.41 C ATOM 0 H ILE A 34 1.415 9.773 -4.663 1.00 2.13 H new ATOM 0 HA ILE A 34 1.720 12.594 -3.860 1.00 33.23 H new ATOM 0 HB ILE A 34 3.541 10.815 -5.537 1.00 51.23 H new ATOM 0 HG12 ILE A 34 4.949 11.746 -3.331 1.00 45.20 H new ATOM 0 HG13 ILE A 34 3.364 11.410 -2.663 1.00 45.20 H new ATOM 0 HG21 ILE A 34 5.110 12.711 -5.455 1.00 42.14 H new ATOM 0 HG22 ILE A 34 3.596 13.147 -6.282 1.00 42.14 H new ATOM 0 HG23 ILE A 34 3.884 13.686 -4.610 1.00 42.14 H new ATOM 0 HD11 ILE A 34 4.827 9.459 -2.473 1.00 32.41 H new ATOM 0 HD12 ILE A 34 3.459 9.112 -3.558 1.00 32.41 H new ATOM 0 HD13 ILE A 34 5.069 9.453 -4.237 1.00 32.41 H new ATOM 560 N THR A 35 0.631 13.433 -5.921 1.00 74.34 N ATOM 561 CA THR A 35 0.003 13.974 -7.120 1.00 72.32 C ATOM 562 C THR A 35 0.751 15.202 -7.626 1.00 71.32 C ATOM 563 O THR A 35 0.636 16.289 -7.059 1.00 22.14 O ATOM 564 CB THR A 35 -1.468 14.353 -6.862 1.00 63.32 C ATOM 565 OG1 THR A 35 -1.984 15.096 -7.972 1.00 0.33 O ATOM 566 CG2 THR A 35 -1.599 15.175 -5.589 1.00 32.20 C ATOM 0 H THR A 35 0.539 14.023 -5.094 1.00 74.34 H new ATOM 0 HA THR A 35 0.041 13.191 -7.877 1.00 72.32 H new ATOM 0 HB THR A 35 -2.042 13.434 -6.743 1.00 63.32 H new ATOM 0 HG1 THR A 35 -2.920 15.332 -7.801 1.00 0.33 H new ATOM 0 HG21 THR A 35 -2.646 15.431 -5.427 1.00 32.20 H new ATOM 0 HG22 THR A 35 -1.232 14.595 -4.742 1.00 32.20 H new ATOM 0 HG23 THR A 35 -1.013 16.089 -5.684 1.00 32.20 H new ATOM 574 N LEU A 36 1.517 15.023 -8.697 1.00 34.41 N ATOM 575 CA LEU A 36 2.284 16.117 -9.281 1.00 12.54 C ATOM 576 C LEU A 36 1.797 16.432 -10.692 1.00 21.24 C ATOM 577 O LEU A 36 1.256 15.577 -11.393 1.00 33.21 O ATOM 578 CB LEU A 36 3.772 15.765 -9.309 1.00 1.11 C ATOM 579 CG LEU A 36 4.663 16.534 -8.333 1.00 14.54 C ATOM 580 CD1 LEU A 36 5.103 15.634 -7.189 1.00 0.12 C ATOM 581 CD2 LEU A 36 5.871 17.112 -9.055 1.00 2.12 C ATOM 0 H LEU A 36 1.623 14.130 -9.178 1.00 34.41 H new ATOM 0 HA LEU A 36 2.138 17.001 -8.661 1.00 12.54 H new ATOM 0 HB2 LEU A 36 3.877 14.700 -9.103 1.00 1.11 H new ATOM 0 HB3 LEU A 36 4.145 15.932 -10.319 1.00 1.11 H new ATOM 0 HG LEU A 36 4.085 17.359 -7.917 1.00 14.54 H new ATOM 0 HD11 LEU A 36 5.736 16.199 -6.505 1.00 0.12 H new ATOM 0 HD12 LEU A 36 4.226 15.270 -6.655 1.00 0.12 H new ATOM 0 HD13 LEU A 36 5.663 14.788 -7.587 1.00 0.12 H new ATOM 0 HD21 LEU A 36 6.494 17.656 -8.345 1.00 2.12 H new ATOM 0 HD22 LEU A 36 6.450 16.303 -9.500 1.00 2.12 H new ATOM 0 HD23 LEU A 36 5.536 17.792 -9.838 1.00 2.12 H new ATOM 593 N PRO A 37 1.995 17.687 -11.120 1.00 42.23 N ATOM 594 CA PRO A 37 1.586 18.143 -12.452 1.00 63.33 C ATOM 595 C PRO A 37 2.433 17.526 -13.561 1.00 14.31 C ATOM 596 O PRO A 37 3.661 17.522 -13.486 1.00 72.21 O ATOM 597 CB PRO A 37 1.804 19.657 -12.392 1.00 24.41 C ATOM 598 CG PRO A 37 2.854 19.847 -11.352 1.00 30.11 C ATOM 599 CD PRO A 37 2.634 18.759 -10.338 1.00 23.41 C ATOM 0 HA PRO A 37 0.560 17.856 -12.684 1.00 63.33 H new ATOM 0 HB2 PRO A 37 2.126 20.049 -13.357 1.00 24.41 H new ATOM 0 HB3 PRO A 37 0.885 20.179 -12.127 1.00 24.41 H new ATOM 0 HG2 PRO A 37 3.851 19.779 -11.787 1.00 30.11 H new ATOM 0 HG3 PRO A 37 2.774 20.832 -10.892 1.00 30.11 H new ATOM 0 HD2 PRO A 37 3.573 18.428 -9.894 1.00 23.41 H new ATOM 0 HD3 PRO A 37 1.996 19.095 -9.520 1.00 23.41 H new ATOM 607 N GLU A 38 1.767 17.008 -14.588 1.00 63.43 N ATOM 608 CA GLU A 38 2.460 16.388 -15.712 1.00 3.40 C ATOM 609 C GLU A 38 1.480 16.028 -16.824 1.00 75.21 C ATOM 610 O GLU A 38 1.527 16.593 -17.916 1.00 21.31 O ATOM 611 CB GLU A 38 3.209 15.136 -15.251 1.00 35.11 C ATOM 612 CG GLU A 38 4.718 15.246 -15.382 1.00 63.11 C ATOM 613 CD GLU A 38 5.454 14.250 -14.507 1.00 1.35 C ATOM 614 OE1 GLU A 38 5.240 13.033 -14.685 1.00 33.25 O ATOM 615 OE2 GLU A 38 6.244 14.688 -13.644 1.00 35.12 O ATOM 0 H GLU A 38 0.750 17.005 -14.665 1.00 63.43 H new ATOM 0 HA GLU A 38 3.178 17.108 -16.104 1.00 3.40 H new ATOM 0 HB2 GLU A 38 2.957 14.935 -14.210 1.00 35.11 H new ATOM 0 HB3 GLU A 38 2.864 14.282 -15.833 1.00 35.11 H new ATOM 0 HG2 GLU A 38 5.001 15.088 -16.423 1.00 63.11 H new ATOM 0 HG3 GLU A 38 5.029 16.256 -15.117 1.00 63.11 H new ATOM 622 N GLY A 39 0.591 15.081 -16.537 1.00 55.45 N ATOM 623 CA GLY A 39 -0.388 14.660 -17.523 1.00 15.54 C ATOM 624 C GLY A 39 -0.405 13.157 -17.718 1.00 14.45 C ATOM 625 O GLY A 39 -1.146 12.641 -18.554 1.00 55.51 O ATOM 0 H GLY A 39 0.531 14.598 -15.640 1.00 55.45 H new ATOM 0 HA2 GLY A 39 -1.378 14.994 -17.213 1.00 15.54 H new ATOM 0 HA3 GLY A 39 -0.172 15.144 -18.475 1.00 15.54 H new ATOM 629 N SER A 40 0.415 12.453 -16.945 1.00 33.44 N ATOM 630 CA SER A 40 0.495 11.000 -17.040 1.00 61.21 C ATOM 631 C SER A 40 0.534 10.365 -15.653 1.00 54.50 C ATOM 632 O SER A 40 1.550 10.423 -14.960 1.00 74.21 O ATOM 633 CB SER A 40 1.735 10.588 -17.836 1.00 72.33 C ATOM 634 OG SER A 40 2.894 11.243 -17.351 1.00 53.20 O ATOM 0 H SER A 40 1.033 12.865 -16.246 1.00 33.44 H new ATOM 0 HA SER A 40 -0.396 10.645 -17.558 1.00 61.21 H new ATOM 0 HB2 SER A 40 1.870 9.508 -17.772 1.00 72.33 H new ATOM 0 HB3 SER A 40 1.591 10.829 -18.889 1.00 72.33 H new ATOM 0 HG SER A 40 2.952 11.129 -16.379 1.00 53.20 H new ATOM 640 N ASP A 41 -0.580 9.761 -15.255 1.00 14.21 N ATOM 641 CA ASP A 41 -0.675 9.115 -13.951 1.00 74.52 C ATOM 642 C ASP A 41 -0.635 7.596 -14.094 1.00 1.25 C ATOM 643 O ASP A 41 -0.171 6.890 -13.198 1.00 13.42 O ATOM 644 CB ASP A 41 -1.962 9.538 -13.240 1.00 44.55 C ATOM 645 CG ASP A 41 -1.703 10.075 -11.846 1.00 62.03 C ATOM 646 OD1 ASP A 41 -0.683 10.772 -11.658 1.00 74.31 O ATOM 647 OD2 ASP A 41 -2.520 9.799 -10.944 1.00 31.23 O ATOM 0 H ASP A 41 -1.430 9.705 -15.816 1.00 14.21 H new ATOM 0 HA ASP A 41 0.181 9.430 -13.354 1.00 74.52 H new ATOM 0 HB2 ASP A 41 -2.467 10.301 -13.832 1.00 44.55 H new ATOM 0 HB3 ASP A 41 -2.637 8.684 -13.178 1.00 44.55 H new ATOM 652 N VAL A 42 -1.125 7.100 -15.225 1.00 62.41 N ATOM 653 CA VAL A 42 -1.145 5.665 -15.485 1.00 43.11 C ATOM 654 C VAL A 42 -0.272 5.312 -16.684 1.00 22.31 C ATOM 655 O VAL A 42 -0.275 6.014 -17.695 1.00 72.53 O ATOM 656 CB VAL A 42 -2.577 5.161 -15.741 1.00 34.13 C ATOM 657 CG1 VAL A 42 -2.587 3.651 -15.925 1.00 54.12 C ATOM 658 CG2 VAL A 42 -3.498 5.573 -14.602 1.00 50.30 C ATOM 0 H VAL A 42 -1.514 7.670 -15.976 1.00 62.41 H new ATOM 0 HA VAL A 42 -0.750 5.176 -14.594 1.00 43.11 H new ATOM 0 HB VAL A 42 -2.945 5.618 -16.660 1.00 34.13 H new ATOM 0 HG11 VAL A 42 -3.608 3.313 -16.105 1.00 54.12 H new ATOM 0 HG12 VAL A 42 -1.961 3.384 -16.776 1.00 54.12 H new ATOM 0 HG13 VAL A 42 -2.200 3.172 -15.026 1.00 54.12 H new ATOM 0 HG21 VAL A 42 -4.506 5.209 -14.799 1.00 50.30 H new ATOM 0 HG22 VAL A 42 -3.134 5.146 -13.667 1.00 50.30 H new ATOM 0 HG23 VAL A 42 -3.514 6.660 -14.522 1.00 50.30 H new ATOM 668 N TRP A 43 0.474 4.220 -16.564 1.00 22.43 N ATOM 669 CA TRP A 43 1.353 3.772 -17.639 1.00 13.23 C ATOM 670 C TRP A 43 0.963 2.377 -18.115 1.00 2.11 C ATOM 671 O TRP A 43 1.200 1.386 -17.424 1.00 15.12 O ATOM 672 CB TRP A 43 2.809 3.777 -17.170 1.00 72.33 C ATOM 673 CG TRP A 43 3.751 4.385 -18.165 1.00 33.11 C ATOM 674 CD1 TRP A 43 3.613 4.396 -19.524 1.00 22.24 C ATOM 675 CD2 TRP A 43 4.975 5.069 -17.878 1.00 65.30 C ATOM 676 NE1 TRP A 43 4.679 5.045 -20.099 1.00 12.33 N ATOM 677 CE2 TRP A 43 5.528 5.468 -19.111 1.00 0.33 C ATOM 678 CE3 TRP A 43 5.658 5.384 -16.700 1.00 40.32 C ATOM 679 CZ2 TRP A 43 6.730 6.165 -19.196 1.00 44.01 C ATOM 680 CZ3 TRP A 43 6.851 6.076 -16.787 1.00 24.52 C ATOM 681 CH2 TRP A 43 7.377 6.461 -18.027 1.00 65.51 C ATOM 0 H TRP A 43 0.488 3.628 -15.733 1.00 22.43 H new ATOM 0 HA TRP A 43 1.246 4.463 -18.475 1.00 13.23 H new ATOM 0 HB2 TRP A 43 2.879 4.326 -16.231 1.00 72.33 H new ATOM 0 HB3 TRP A 43 3.121 2.753 -16.964 1.00 72.33 H new ATOM 0 HD1 TRP A 43 2.788 3.959 -20.067 1.00 22.24 H new ATOM 0 HE1 TRP A 43 4.816 5.188 -21.100 1.00 12.33 H new ATOM 0 HE3 TRP A 43 5.261 5.092 -15.739 1.00 40.32 H new ATOM 0 HZ2 TRP A 43 7.138 6.462 -20.151 1.00 44.01 H new ATOM 0 HZ3 TRP A 43 7.387 6.324 -15.883 1.00 24.52 H new ATOM 0 HH2 TRP A 43 8.311 7.002 -18.061 1.00 65.51 H new ATOM 692 N VAL A 44 0.365 2.306 -19.300 1.00 2.40 N ATOM 693 CA VAL A 44 -0.056 1.032 -19.869 1.00 62.20 C ATOM 694 C VAL A 44 1.010 0.467 -20.801 1.00 42.33 C ATOM 695 O VAL A 44 1.334 1.068 -21.827 1.00 12.03 O ATOM 696 CB VAL A 44 -1.378 1.173 -20.645 1.00 55.25 C ATOM 697 CG1 VAL A 44 -1.817 -0.172 -21.203 1.00 71.31 C ATOM 698 CG2 VAL A 44 -2.458 1.768 -19.754 1.00 32.31 C ATOM 0 H VAL A 44 0.161 3.117 -19.885 1.00 2.40 H new ATOM 0 HA VAL A 44 -0.205 0.347 -19.034 1.00 62.20 H new ATOM 0 HB VAL A 44 -1.216 1.851 -21.483 1.00 55.25 H new ATOM 0 HG11 VAL A 44 -2.753 -0.052 -21.748 1.00 71.31 H new ATOM 0 HG12 VAL A 44 -1.051 -0.554 -21.878 1.00 71.31 H new ATOM 0 HG13 VAL A 44 -1.962 -0.876 -20.384 1.00 71.31 H new ATOM 0 HG21 VAL A 44 -3.386 1.861 -20.319 1.00 32.31 H new ATOM 0 HG22 VAL A 44 -2.620 1.117 -18.895 1.00 32.31 H new ATOM 0 HG23 VAL A 44 -2.143 2.753 -19.409 1.00 32.31 H new ATOM 708 N CYS A 45 1.552 -0.690 -20.439 1.00 60.11 N ATOM 709 CA CYS A 45 2.583 -1.337 -21.243 1.00 51.35 C ATOM 710 C CYS A 45 1.980 -2.423 -22.129 1.00 3.42 C ATOM 711 O CYS A 45 1.746 -3.545 -21.679 1.00 61.11 O ATOM 712 CB CYS A 45 3.661 -1.938 -20.341 1.00 2.23 C ATOM 713 SG CYS A 45 4.273 -0.808 -19.069 1.00 2.22 S ATOM 0 H CYS A 45 1.295 -1.200 -19.594 1.00 60.11 H new ATOM 0 HA CYS A 45 3.037 -0.581 -21.884 1.00 51.35 H new ATOM 0 HB2 CYS A 45 3.260 -2.829 -19.858 1.00 2.23 H new ATOM 0 HB3 CYS A 45 4.499 -2.260 -20.959 1.00 2.23 H new ATOM 0 HG CYS A 45 5.511 -1.093 -18.795 1.00 2.22 H new ATOM 719 N CYS A 46 1.730 -2.081 -23.388 1.00 2.22 N ATOM 720 CA CYS A 46 1.152 -3.026 -24.336 1.00 60.13 C ATOM 721 C CYS A 46 2.198 -4.030 -24.810 1.00 2.13 C ATOM 722 O CYS A 46 3.380 -3.914 -24.481 1.00 15.43 O ATOM 723 CB CYS A 46 0.563 -2.282 -25.535 1.00 52.52 C ATOM 724 SG CYS A 46 -0.914 -1.312 -25.149 1.00 4.30 S ATOM 0 H CYS A 46 1.919 -1.157 -23.776 1.00 2.22 H new ATOM 0 HA CYS A 46 0.356 -3.570 -23.828 1.00 60.13 H new ATOM 0 HB2 CYS A 46 1.323 -1.618 -25.946 1.00 52.52 H new ATOM 0 HB3 CYS A 46 0.317 -3.005 -26.313 1.00 52.52 H new ATOM 0 HG CYS A 46 -1.337 -0.718 -26.225 1.00 4.30 H new ATOM 730 N LEU A 47 1.757 -5.016 -25.582 1.00 72.32 N ATOM 731 CA LEU A 47 2.655 -6.043 -26.100 1.00 52.23 C ATOM 732 C LEU A 47 3.633 -5.451 -27.111 1.00 34.44 C ATOM 733 O LEU A 47 3.401 -4.388 -27.686 1.00 41.03 O ATOM 734 CB LEU A 47 1.851 -7.170 -26.751 1.00 22.23 C ATOM 735 CG LEU A 47 1.699 -7.096 -28.270 1.00 45.14 C ATOM 736 CD1 LEU A 47 0.944 -8.308 -28.791 1.00 74.43 C ATOM 737 CD2 LEU A 47 0.992 -5.810 -28.674 1.00 30.44 C ATOM 0 H LEU A 47 0.783 -5.127 -25.864 1.00 72.32 H new ATOM 0 HA LEU A 47 3.225 -6.448 -25.264 1.00 52.23 H new ATOM 0 HB2 LEU A 47 2.324 -8.119 -26.499 1.00 22.23 H new ATOM 0 HB3 LEU A 47 0.856 -7.183 -26.307 1.00 22.23 H new ATOM 0 HG LEU A 47 2.694 -7.095 -28.715 1.00 45.14 H new ATOM 0 HD11 LEU A 47 0.846 -8.237 -29.874 1.00 74.43 H new ATOM 0 HD12 LEU A 47 1.491 -9.215 -28.535 1.00 74.43 H new ATOM 0 HD13 LEU A 47 -0.047 -8.342 -28.338 1.00 74.43 H new ATOM 0 HD21 LEU A 47 0.893 -5.775 -29.759 1.00 30.44 H new ATOM 0 HD22 LEU A 47 0.002 -5.780 -28.218 1.00 30.44 H new ATOM 0 HD23 LEU A 47 1.574 -4.953 -28.335 1.00 30.44 H new ATOM 749 N PRO A 48 4.752 -6.156 -27.334 1.00 75.41 N ATOM 750 CA PRO A 48 5.786 -5.722 -28.278 1.00 12.22 C ATOM 751 C PRO A 48 5.322 -5.812 -29.728 1.00 4.03 C ATOM 752 O PRO A 48 5.176 -6.905 -30.276 1.00 4.43 O ATOM 753 CB PRO A 48 6.934 -6.701 -28.021 1.00 71.25 C ATOM 754 CG PRO A 48 6.277 -7.920 -27.472 1.00 74.12 C ATOM 755 CD PRO A 48 5.093 -7.432 -26.683 1.00 70.43 C ATOM 0 HA PRO A 48 6.059 -4.677 -28.132 1.00 12.22 H new ATOM 0 HB2 PRO A 48 7.477 -6.924 -28.939 1.00 71.25 H new ATOM 0 HB3 PRO A 48 7.656 -6.289 -27.316 1.00 71.25 H new ATOM 0 HG2 PRO A 48 5.963 -8.589 -28.273 1.00 74.12 H new ATOM 0 HG3 PRO A 48 6.964 -8.482 -26.839 1.00 74.12 H new ATOM 0 HD2 PRO A 48 4.264 -8.138 -26.724 1.00 70.43 H new ATOM 0 HD3 PRO A 48 5.341 -7.293 -25.631 1.00 70.43 H new ATOM 763 N ARG A 49 5.093 -4.657 -30.344 1.00 1.13 N ATOM 764 CA ARG A 49 4.645 -4.606 -31.730 1.00 64.12 C ATOM 765 C ARG A 49 4.954 -3.247 -32.352 1.00 32.13 C ATOM 766 O ARG A 49 5.255 -3.151 -33.541 1.00 64.45 O ATOM 767 CB ARG A 49 3.144 -4.889 -31.815 1.00 3.45 C ATOM 768 CG ARG A 49 2.281 -3.766 -31.261 1.00 24.40 C ATOM 769 CD ARG A 49 1.865 -2.794 -32.353 1.00 13.30 C ATOM 770 NE ARG A 49 0.548 -2.215 -32.097 1.00 44.22 N ATOM 771 CZ ARG A 49 -0.191 -1.629 -33.032 1.00 40.23 C ATOM 772 NH1 ARG A 49 0.254 -1.545 -34.278 1.00 44.23 N ATOM 773 NH2 ARG A 49 -1.379 -1.126 -32.722 1.00 1.21 N ATOM 0 H ARG A 49 5.210 -3.744 -29.905 1.00 1.13 H new ATOM 0 HA ARG A 49 5.184 -5.372 -32.288 1.00 64.12 H new ATOM 0 HB2 ARG A 49 2.874 -5.064 -32.856 1.00 3.45 H new ATOM 0 HB3 ARG A 49 2.924 -5.807 -31.270 1.00 3.45 H new ATOM 0 HG2 ARG A 49 1.393 -4.187 -30.789 1.00 24.40 H new ATOM 0 HG3 ARG A 49 2.831 -3.231 -30.486 1.00 24.40 H new ATOM 0 HD2 ARG A 49 2.604 -1.996 -32.429 1.00 13.30 H new ATOM 0 HD3 ARG A 49 1.854 -3.310 -33.313 1.00 13.30 H new ATOM 0 HE ARG A 49 0.176 -2.264 -31.148 1.00 44.22 H new ATOM 0 HH11 ARG A 49 1.166 -1.931 -34.521 1.00 44.23 H new ATOM 0 HH12 ARG A 49 -0.316 -1.094 -34.994 1.00 44.23 H new ATOM 0 HH21 ARG A 49 -1.726 -1.189 -31.765 1.00 1.21 H new ATOM 0 HH22 ARG A 49 -1.946 -0.676 -33.441 1.00 1.21 H new ATOM 787 N ASP A 50 4.875 -2.199 -31.539 1.00 25.31 N ATOM 788 CA ASP A 50 5.147 -0.845 -32.008 1.00 74.52 C ATOM 789 C ASP A 50 6.434 -0.305 -31.393 1.00 53.34 C ATOM 790 O ASP A 50 6.709 0.893 -31.458 1.00 14.42 O ATOM 791 CB ASP A 50 3.977 0.079 -31.668 1.00 54.01 C ATOM 792 CG ASP A 50 3.349 0.696 -32.902 1.00 51.53 C ATOM 793 OD1 ASP A 50 4.089 1.306 -33.703 1.00 71.31 O ATOM 794 OD2 ASP A 50 2.118 0.570 -33.068 1.00 32.22 O ATOM 0 H ASP A 50 4.625 -2.261 -30.552 1.00 25.31 H new ATOM 0 HA ASP A 50 5.270 -0.879 -33.090 1.00 74.52 H new ATOM 0 HB2 ASP A 50 3.220 -0.484 -31.122 1.00 54.01 H new ATOM 0 HB3 ASP A 50 4.325 0.872 -31.006 1.00 54.01 H new ATOM 799 N SER A 51 7.218 -1.196 -30.796 1.00 65.24 N ATOM 800 CA SER A 51 8.474 -0.808 -30.165 1.00 44.24 C ATOM 801 C SER A 51 8.218 -0.003 -28.895 1.00 32.23 C ATOM 802 O SER A 51 8.560 1.177 -28.813 1.00 44.23 O ATOM 803 CB SER A 51 9.326 0.011 -31.137 1.00 63.44 C ATOM 804 OG SER A 51 10.704 -0.100 -30.825 1.00 42.24 O ATOM 0 H SER A 51 7.006 -2.192 -30.736 1.00 65.24 H new ATOM 0 HA SER A 51 9.013 -1.717 -29.897 1.00 44.24 H new ATOM 0 HB2 SER A 51 9.152 -0.333 -32.157 1.00 63.44 H new ATOM 0 HB3 SER A 51 9.024 1.058 -31.097 1.00 63.44 H new ATOM 0 HG SER A 51 11.227 0.431 -31.461 1.00 42.24 H new ATOM 810 N LEU A 52 7.613 -0.650 -27.905 1.00 32.23 N ATOM 811 CA LEU A 52 7.309 0.004 -26.636 1.00 63.44 C ATOM 812 C LEU A 52 6.299 1.129 -26.832 1.00 52.20 C ATOM 813 O LEU A 52 6.661 2.306 -26.859 1.00 54.15 O ATOM 814 CB LEU A 52 8.589 0.556 -26.005 1.00 71.55 C ATOM 815 CG LEU A 52 9.179 -0.265 -24.858 1.00 44.31 C ATOM 816 CD1 LEU A 52 8.163 -0.425 -23.738 1.00 71.23 C ATOM 817 CD2 LEU A 52 9.643 -1.625 -25.358 1.00 44.15 C ATOM 0 H LEU A 52 7.323 -1.627 -27.956 1.00 32.23 H new ATOM 0 HA LEU A 52 6.873 -0.738 -25.968 1.00 63.44 H new ATOM 0 HB2 LEU A 52 9.344 0.648 -26.785 1.00 71.55 H new ATOM 0 HB3 LEU A 52 8.385 1.562 -25.638 1.00 71.55 H new ATOM 0 HG LEU A 52 10.044 0.268 -24.463 1.00 44.31 H new ATOM 0 HD11 LEU A 52 8.601 -1.012 -22.931 1.00 71.23 H new ATOM 0 HD12 LEU A 52 7.880 0.558 -23.360 1.00 71.23 H new ATOM 0 HD13 LEU A 52 7.279 -0.935 -24.119 1.00 71.23 H new ATOM 0 HD21 LEU A 52 10.060 -2.195 -24.528 1.00 44.15 H new ATOM 0 HD22 LEU A 52 8.796 -2.166 -25.780 1.00 44.15 H new ATOM 0 HD23 LEU A 52 10.406 -1.490 -26.125 1.00 44.15 H new ATOM 829 N THR A 53 5.028 0.761 -26.966 1.00 24.32 N ATOM 830 CA THR A 53 3.965 1.739 -27.158 1.00 30.43 C ATOM 831 C THR A 53 3.325 2.123 -25.829 1.00 32.44 C ATOM 832 O THR A 53 2.104 2.253 -25.730 1.00 71.25 O ATOM 833 CB THR A 53 2.874 1.204 -28.104 1.00 60.35 C ATOM 834 OG1 THR A 53 3.378 0.093 -28.855 1.00 31.14 O ATOM 835 CG2 THR A 53 2.402 2.293 -29.056 1.00 61.42 C ATOM 0 H THR A 53 4.710 -0.208 -26.945 1.00 24.32 H new ATOM 0 HA THR A 53 4.424 2.621 -27.606 1.00 30.43 H new ATOM 0 HB THR A 53 2.027 0.879 -27.499 1.00 60.35 H new ATOM 0 HG1 THR A 53 2.643 -0.520 -29.065 1.00 31.14 H new ATOM 0 HG21 THR A 53 1.632 1.892 -29.714 1.00 61.42 H new ATOM 0 HG22 THR A 53 1.992 3.125 -28.483 1.00 61.42 H new ATOM 0 HG23 THR A 53 3.243 2.644 -29.654 1.00 61.42 H new ATOM 843 N LEU A 54 4.155 2.303 -24.808 1.00 3.52 N ATOM 844 CA LEU A 54 3.670 2.674 -23.483 1.00 31.01 C ATOM 845 C LEU A 54 2.781 3.911 -23.555 1.00 50.40 C ATOM 846 O LEU A 54 3.206 4.967 -24.025 1.00 72.44 O ATOM 847 CB LEU A 54 4.847 2.932 -22.541 1.00 30.24 C ATOM 848 CG LEU A 54 5.969 1.893 -22.568 1.00 34.02 C ATOM 849 CD1 LEU A 54 7.292 2.546 -22.934 1.00 43.01 C ATOM 850 CD2 LEU A 54 6.074 1.187 -21.224 1.00 61.30 C ATOM 0 H LEU A 54 5.168 2.198 -24.872 1.00 3.52 H new ATOM 0 HA LEU A 54 3.077 1.845 -23.095 1.00 31.01 H new ATOM 0 HB2 LEU A 54 5.274 3.905 -22.784 1.00 30.24 H new ATOM 0 HB3 LEU A 54 4.464 2.997 -21.523 1.00 30.24 H new ATOM 0 HG LEU A 54 5.732 1.149 -23.329 1.00 34.02 H new ATOM 0 HD11 LEU A 54 8.079 1.791 -22.948 1.00 43.01 H new ATOM 0 HD12 LEU A 54 7.211 3.004 -23.920 1.00 43.01 H new ATOM 0 HD13 LEU A 54 7.536 3.311 -22.197 1.00 43.01 H new ATOM 0 HD21 LEU A 54 6.877 0.451 -21.261 1.00 61.30 H new ATOM 0 HD22 LEU A 54 6.288 1.918 -20.445 1.00 61.30 H new ATOM 0 HD23 LEU A 54 5.132 0.685 -21.002 1.00 61.30 H new ATOM 862 N SER A 55 1.546 3.775 -23.084 1.00 34.41 N ATOM 863 CA SER A 55 0.596 4.881 -23.096 1.00 71.03 C ATOM 864 C SER A 55 0.520 5.547 -21.726 1.00 12.12 C ATOM 865 O SER A 55 0.184 4.907 -20.730 1.00 61.41 O ATOM 866 CB SER A 55 -0.791 4.386 -23.513 1.00 45.11 C ATOM 867 OG SER A 55 -1.125 4.841 -24.813 1.00 12.54 O ATOM 0 H SER A 55 1.179 2.909 -22.689 1.00 34.41 H new ATOM 0 HA SER A 55 0.944 5.618 -23.820 1.00 71.03 H new ATOM 0 HB2 SER A 55 -0.814 3.297 -23.488 1.00 45.11 H new ATOM 0 HB3 SER A 55 -1.536 4.737 -22.799 1.00 45.11 H new ATOM 0 HG SER A 55 -2.015 4.510 -25.057 1.00 12.54 H new ATOM 873 N ALA A 56 0.834 6.838 -21.684 1.00 23.40 N ATOM 874 CA ALA A 56 0.800 7.592 -20.437 1.00 41.23 C ATOM 875 C ALA A 56 -0.314 8.634 -20.456 1.00 62.53 C ATOM 876 O ALA A 56 -0.400 9.447 -21.376 1.00 32.13 O ATOM 877 CB ALA A 56 2.145 8.259 -20.187 1.00 15.01 C ATOM 0 H ALA A 56 1.115 7.383 -22.499 1.00 23.40 H new ATOM 0 HA ALA A 56 0.596 6.895 -19.625 1.00 41.23 H new ATOM 0 HB1 ALA A 56 2.105 8.819 -19.253 1.00 15.01 H new ATOM 0 HB2 ALA A 56 2.922 7.498 -20.121 1.00 15.01 H new ATOM 0 HB3 ALA A 56 2.372 8.939 -21.008 1.00 15.01 H new ATOM 883 N ALA A 57 -1.165 8.602 -19.436 1.00 25.12 N ATOM 884 CA ALA A 57 -2.272 9.544 -19.335 1.00 51.12 C ATOM 885 C ALA A 57 -2.708 9.726 -17.885 1.00 42.32 C ATOM 886 O ALA A 57 -2.736 8.771 -17.111 1.00 62.30 O ATOM 887 CB ALA A 57 -3.443 9.074 -20.185 1.00 54.42 C ATOM 0 H ALA A 57 -1.109 7.933 -18.668 1.00 25.12 H new ATOM 0 HA ALA A 57 -1.930 10.510 -19.708 1.00 51.12 H new ATOM 0 HB1 ALA A 57 -4.263 9.787 -20.100 1.00 54.42 H new ATOM 0 HB2 ALA A 57 -3.131 9.002 -21.227 1.00 54.42 H new ATOM 0 HB3 ALA A 57 -3.775 8.096 -19.838 1.00 54.42 H new ATOM 893 N ASN A 58 -3.046 10.960 -17.525 1.00 34.15 N ATOM 894 CA ASN A 58 -3.480 11.267 -16.166 1.00 43.33 C ATOM 895 C ASN A 58 -4.933 11.730 -16.151 1.00 14.04 C ATOM 896 O ASN A 58 -5.241 12.856 -16.541 1.00 54.01 O ATOM 897 CB ASN A 58 -2.583 12.346 -15.554 1.00 61.55 C ATOM 898 CG ASN A 58 -3.011 12.724 -14.150 1.00 4.43 C ATOM 899 OD1 ASN A 58 -3.898 12.099 -13.569 1.00 62.00 O ATOM 900 ND2 ASN A 58 -2.380 13.754 -13.597 1.00 24.12 N ATOM 0 H ASN A 58 -3.028 11.763 -18.154 1.00 34.15 H new ATOM 0 HA ASN A 58 -3.401 10.357 -15.571 1.00 43.33 H new ATOM 0 HB2 ASN A 58 -1.553 11.990 -15.534 1.00 61.55 H new ATOM 0 HB3 ASN A 58 -2.601 13.233 -16.188 1.00 61.55 H new ATOM 0 HD21 ASN A 58 -2.625 14.055 -12.654 1.00 24.12 H new ATOM 0 HD22 ASN A 58 -1.651 14.243 -14.116 1.00 24.12 H new ATOM 907 N SER A 59 -5.823 10.853 -15.696 1.00 41.20 N ATOM 908 CA SER A 59 -7.245 11.170 -15.632 1.00 42.01 C ATOM 909 C SER A 59 -7.758 11.642 -16.989 1.00 61.53 C ATOM 910 O SER A 59 -8.669 12.465 -17.068 1.00 5.31 O ATOM 911 CB SER A 59 -7.502 12.246 -14.575 1.00 72.21 C ATOM 912 OG SER A 59 -8.656 11.943 -13.810 1.00 24.15 O ATOM 0 H SER A 59 -5.584 9.918 -15.366 1.00 41.20 H new ATOM 0 HA SER A 59 -7.782 10.263 -15.355 1.00 42.01 H new ATOM 0 HB2 SER A 59 -6.637 12.328 -13.917 1.00 72.21 H new ATOM 0 HB3 SER A 59 -7.627 13.214 -15.060 1.00 72.21 H new ATOM 0 HG SER A 59 -8.798 12.644 -13.141 1.00 24.15 H new ATOM 918 N GLU A 60 -7.166 11.112 -18.055 1.00 43.13 N ATOM 919 CA GLU A 60 -7.562 11.479 -19.410 1.00 11.43 C ATOM 920 C GLU A 60 -8.101 10.268 -20.166 1.00 43.42 C ATOM 921 O GLU A 60 -8.927 10.404 -21.069 1.00 3.21 O ATOM 922 CB GLU A 60 -6.376 12.081 -20.167 1.00 12.15 C ATOM 923 CG GLU A 60 -6.403 13.599 -20.233 1.00 31.14 C ATOM 924 CD GLU A 60 -5.022 14.213 -20.113 1.00 63.40 C ATOM 925 OE1 GLU A 60 -4.541 14.373 -18.971 1.00 71.44 O ATOM 926 OE2 GLU A 60 -4.422 14.533 -21.160 1.00 44.10 O ATOM 0 H GLU A 60 -6.411 10.428 -18.007 1.00 43.13 H new ATOM 0 HA GLU A 60 -8.354 12.224 -19.340 1.00 11.43 H new ATOM 0 HB2 GLU A 60 -5.450 11.763 -19.687 1.00 12.15 H new ATOM 0 HB3 GLU A 60 -6.363 11.682 -21.181 1.00 12.15 H new ATOM 0 HG2 GLU A 60 -6.854 13.910 -21.175 1.00 31.14 H new ATOM 0 HG3 GLU A 60 -7.038 13.982 -19.434 1.00 31.14 H new ATOM 933 N ASP A 61 -7.627 9.086 -19.791 1.00 65.54 N ATOM 934 CA ASP A 61 -8.060 7.850 -20.433 1.00 60.22 C ATOM 935 C ASP A 61 -9.233 7.230 -19.681 1.00 75.43 C ATOM 936 O ASP A 61 -9.070 6.707 -18.579 1.00 43.14 O ATOM 937 CB ASP A 61 -6.901 6.854 -20.506 1.00 12.21 C ATOM 938 CG ASP A 61 -7.245 5.624 -21.322 1.00 75.21 C ATOM 939 OD1 ASP A 61 -6.991 5.632 -22.545 1.00 1.21 O ATOM 940 OD2 ASP A 61 -7.769 4.652 -20.738 1.00 4.20 O ATOM 0 H ASP A 61 -6.943 8.957 -19.046 1.00 65.54 H new ATOM 0 HA ASP A 61 -8.386 8.090 -21.445 1.00 60.22 H new ATOM 0 HB2 ASP A 61 -6.031 7.345 -20.943 1.00 12.21 H new ATOM 0 HB3 ASP A 61 -6.622 6.551 -19.497 1.00 12.21 H new ATOM 945 N GLU A 62 -10.416 7.293 -20.285 1.00 33.32 N ATOM 946 CA GLU A 62 -11.617 6.739 -19.670 1.00 71.33 C ATOM 947 C GLU A 62 -12.605 6.269 -20.734 1.00 73.10 C ATOM 948 O GLU A 62 -13.804 6.161 -20.479 1.00 1.01 O ATOM 949 CB GLU A 62 -12.281 7.779 -18.766 1.00 42.51 C ATOM 950 CG GLU A 62 -12.390 7.344 -17.315 1.00 23.34 C ATOM 951 CD GLU A 62 -13.636 7.879 -16.637 1.00 33.32 C ATOM 952 OE1 GLU A 62 -13.672 9.090 -16.333 1.00 74.43 O ATOM 953 OE2 GLU A 62 -14.575 7.087 -16.410 1.00 0.22 O ATOM 0 H GLU A 62 -10.568 7.721 -21.198 1.00 33.32 H new ATOM 0 HA GLU A 62 -11.322 5.880 -19.067 1.00 71.33 H new ATOM 0 HB2 GLU A 62 -11.712 8.708 -18.816 1.00 42.51 H new ATOM 0 HB3 GLU A 62 -13.279 7.995 -19.147 1.00 42.51 H new ATOM 0 HG2 GLU A 62 -12.393 6.255 -17.265 1.00 23.34 H new ATOM 0 HG3 GLU A 62 -11.510 7.685 -16.770 1.00 23.34 H new ATOM 960 N GLY A 63 -12.092 5.991 -21.929 1.00 12.21 N ATOM 961 CA GLY A 63 -12.942 5.537 -23.014 1.00 13.11 C ATOM 962 C GLY A 63 -13.477 4.137 -22.785 1.00 0.34 C ATOM 963 O GLY A 63 -14.482 3.955 -22.098 1.00 3.32 O ATOM 0 H GLY A 63 -11.103 6.072 -22.165 1.00 12.21 H new ATOM 0 HA2 GLY A 63 -13.777 6.227 -23.130 1.00 13.11 H new ATOM 0 HA3 GLY A 63 -12.378 5.559 -23.947 1.00 13.11 H new ATOM 967 N GLN A 64 -12.805 3.147 -23.362 1.00 61.14 N ATOM 968 CA GLN A 64 -13.221 1.757 -23.219 1.00 23.31 C ATOM 969 C GLN A 64 -12.086 0.904 -22.661 1.00 31.03 C ATOM 970 O GLN A 64 -10.986 0.879 -23.213 1.00 41.21 O ATOM 971 CB GLN A 64 -13.679 1.198 -24.567 1.00 61.40 C ATOM 972 CG GLN A 64 -15.141 1.476 -24.876 1.00 33.55 C ATOM 973 CD GLN A 64 -15.322 2.582 -25.896 1.00 14.12 C ATOM 974 OE1 GLN A 64 -14.453 3.438 -26.061 1.00 11.41 O ATOM 975 NE2 GLN A 64 -16.456 2.570 -26.587 1.00 41.25 N ATOM 0 H GLN A 64 -11.970 3.281 -23.933 1.00 61.14 H new ATOM 0 HA GLN A 64 -14.055 1.724 -22.518 1.00 23.31 H new ATOM 0 HB2 GLN A 64 -13.062 1.626 -25.357 1.00 61.40 H new ATOM 0 HB3 GLN A 64 -13.512 0.121 -24.580 1.00 61.40 H new ATOM 0 HG2 GLN A 64 -15.610 0.565 -25.247 1.00 33.55 H new ATOM 0 HG3 GLN A 64 -15.658 1.748 -23.955 1.00 33.55 H new ATOM 0 HE21 GLN A 64 -17.149 1.841 -26.417 1.00 41.25 H new ATOM 0 HE22 GLN A 64 -16.634 3.290 -27.287 1.00 41.25 H new ATOM 984 N ILE A 65 -12.361 0.207 -21.563 1.00 51.32 N ATOM 985 CA ILE A 65 -11.363 -0.647 -20.931 1.00 54.12 C ATOM 986 C ILE A 65 -12.000 -1.915 -20.372 1.00 0.43 C ATOM 987 O ILE A 65 -13.119 -1.885 -19.859 1.00 61.32 O ATOM 988 CB ILE A 65 -10.630 0.090 -19.795 1.00 44.02 C ATOM 989 CG1 ILE A 65 -9.626 -0.845 -19.116 1.00 54.51 C ATOM 990 CG2 ILE A 65 -11.628 0.630 -18.782 1.00 52.04 C ATOM 991 CD1 ILE A 65 -8.342 -0.158 -18.708 1.00 65.23 C ATOM 0 H ILE A 65 -13.266 0.217 -21.093 1.00 51.32 H new ATOM 0 HA ILE A 65 -10.642 -0.915 -21.703 1.00 54.12 H new ATOM 0 HB ILE A 65 -10.084 0.932 -20.221 1.00 44.02 H new ATOM 0 HG12 ILE A 65 -10.090 -1.284 -18.233 1.00 54.51 H new ATOM 0 HG13 ILE A 65 -9.390 -1.666 -19.794 1.00 54.51 H new ATOM 0 HG21 ILE A 65 -11.094 1.148 -17.986 1.00 52.04 H new ATOM 0 HG22 ILE A 65 -12.307 1.325 -19.275 1.00 52.04 H new ATOM 0 HG23 ILE A 65 -12.199 -0.196 -18.358 1.00 52.04 H new ATOM 0 HD11 ILE A 65 -7.678 -0.880 -18.233 1.00 65.23 H new ATOM 0 HD12 ILE A 65 -7.855 0.257 -19.590 1.00 65.23 H new ATOM 0 HD13 ILE A 65 -8.566 0.645 -18.006 1.00 65.23 H new ATOM 1003 N ARG A 66 -11.279 -3.026 -20.472 1.00 63.31 N ATOM 1004 CA ARG A 66 -11.773 -4.305 -19.975 1.00 44.05 C ATOM 1005 C ARG A 66 -10.773 -4.936 -19.011 1.00 30.32 C ATOM 1006 O ARG A 66 -9.563 -4.752 -19.146 1.00 12.34 O ATOM 1007 CB ARG A 66 -12.045 -5.258 -21.141 1.00 22.13 C ATOM 1008 CG ARG A 66 -13.265 -4.880 -21.964 1.00 71.33 C ATOM 1009 CD ARG A 66 -14.479 -5.709 -21.574 1.00 62.44 C ATOM 1010 NE ARG A 66 -15.678 -5.300 -22.301 1.00 2.22 N ATOM 1011 CZ ARG A 66 -16.898 -5.739 -22.012 1.00 42.31 C ATOM 1012 NH1 ARG A 66 -17.079 -6.596 -21.017 1.00 53.01 N ATOM 1013 NH2 ARG A 66 -17.940 -5.320 -22.719 1.00 44.41 N ATOM 0 H ARG A 66 -10.351 -3.067 -20.893 1.00 63.31 H new ATOM 0 HA ARG A 66 -12.704 -4.123 -19.438 1.00 44.05 H new ATOM 0 HB2 ARG A 66 -11.171 -5.281 -21.792 1.00 22.13 H new ATOM 0 HB3 ARG A 66 -12.179 -6.267 -20.751 1.00 22.13 H new ATOM 0 HG2 ARG A 66 -13.486 -3.822 -21.824 1.00 71.33 H new ATOM 0 HG3 ARG A 66 -13.050 -5.024 -23.023 1.00 71.33 H new ATOM 0 HD2 ARG A 66 -14.277 -6.762 -21.771 1.00 62.44 H new ATOM 0 HD3 ARG A 66 -14.654 -5.613 -20.502 1.00 62.44 H new ATOM 0 HE ARG A 66 -15.573 -4.641 -23.073 1.00 2.22 H new ATOM 0 HH11 ARG A 66 -16.280 -6.920 -20.471 1.00 53.01 H new ATOM 0 HH12 ARG A 66 -18.017 -6.932 -20.797 1.00 53.01 H new ATOM 0 HH21 ARG A 66 -17.804 -4.660 -23.485 1.00 44.41 H new ATOM 0 HH22 ARG A 66 -18.876 -5.658 -22.496 1.00 44.41 H new ATOM 1027 N TYR A 67 -11.287 -5.681 -18.038 1.00 40.31 N ATOM 1028 CA TYR A 67 -10.440 -6.337 -17.049 1.00 51.20 C ATOM 1029 C TYR A 67 -10.097 -7.759 -17.483 1.00 1.40 C ATOM 1030 O TYR A 67 -10.972 -8.619 -17.579 1.00 20.40 O ATOM 1031 CB TYR A 67 -11.136 -6.361 -15.687 1.00 22.30 C ATOM 1032 CG TYR A 67 -11.656 -5.011 -15.248 1.00 63.03 C ATOM 1033 CD1 TYR A 67 -13.002 -4.690 -15.371 1.00 32.24 C ATOM 1034 CD2 TYR A 67 -10.801 -4.056 -14.712 1.00 41.25 C ATOM 1035 CE1 TYR A 67 -13.482 -3.457 -14.972 1.00 22.52 C ATOM 1036 CE2 TYR A 67 -11.272 -2.821 -14.310 1.00 21.33 C ATOM 1037 CZ TYR A 67 -12.613 -2.527 -14.442 1.00 1.34 C ATOM 1038 OH TYR A 67 -13.086 -1.298 -14.043 1.00 2.52 O ATOM 0 H TYR A 67 -12.286 -5.845 -17.913 1.00 40.31 H new ATOM 0 HA TYR A 67 -9.514 -5.769 -16.966 1.00 51.20 H new ATOM 0 HB2 TYR A 67 -11.967 -7.066 -15.725 1.00 22.30 H new ATOM 0 HB3 TYR A 67 -10.437 -6.733 -14.938 1.00 22.30 H new ATOM 0 HD1 TYR A 67 -13.685 -5.417 -15.786 1.00 32.24 H new ATOM 0 HD2 TYR A 67 -9.750 -4.283 -14.608 1.00 41.25 H new ATOM 0 HE1 TYR A 67 -14.531 -3.223 -15.075 1.00 22.52 H new ATOM 0 HE2 TYR A 67 -10.594 -2.090 -13.895 1.00 21.33 H new ATOM 0 HH TYR A 67 -12.346 -0.761 -13.691 1.00 2.52 H new ATOM 1048 N PHE A 68 -8.816 -7.998 -17.744 1.00 1.44 N ATOM 1049 CA PHE A 68 -8.355 -9.314 -18.168 1.00 22.52 C ATOM 1050 C PHE A 68 -7.659 -10.042 -17.022 1.00 25.25 C ATOM 1051 O PHE A 68 -6.960 -9.428 -16.214 1.00 14.12 O ATOM 1052 CB PHE A 68 -7.402 -9.186 -19.358 1.00 54.44 C ATOM 1053 CG PHE A 68 -7.378 -10.401 -20.241 1.00 1.14 C ATOM 1054 CD1 PHE A 68 -8.554 -10.925 -20.753 1.00 24.54 C ATOM 1055 CD2 PHE A 68 -6.179 -11.019 -20.558 1.00 20.14 C ATOM 1056 CE1 PHE A 68 -8.535 -12.044 -21.565 1.00 44.52 C ATOM 1057 CE2 PHE A 68 -6.154 -12.137 -21.370 1.00 3.11 C ATOM 1058 CZ PHE A 68 -7.333 -12.651 -21.873 1.00 41.42 C ATOM 0 H PHE A 68 -8.079 -7.297 -17.669 1.00 1.44 H new ATOM 0 HA PHE A 68 -9.226 -9.896 -18.470 1.00 22.52 H new ATOM 0 HB2 PHE A 68 -7.691 -8.320 -19.953 1.00 54.44 H new ATOM 0 HB3 PHE A 68 -6.395 -8.996 -18.988 1.00 54.44 H new ATOM 0 HD1 PHE A 68 -9.496 -10.454 -20.515 1.00 24.54 H new ATOM 0 HD2 PHE A 68 -5.254 -10.623 -20.166 1.00 20.14 H new ATOM 0 HE1 PHE A 68 -9.459 -12.443 -21.958 1.00 44.52 H new ATOM 0 HE2 PHE A 68 -5.213 -12.609 -21.611 1.00 3.11 H new ATOM 0 HZ PHE A 68 -7.315 -13.526 -22.506 1.00 41.42 H new ATOM 1068 N LEU A 69 -7.854 -11.355 -16.957 1.00 0.44 N ATOM 1069 CA LEU A 69 -7.246 -12.168 -15.909 1.00 42.23 C ATOM 1070 C LEU A 69 -7.614 -13.638 -16.079 1.00 21.31 C ATOM 1071 O LEU A 69 -6.756 -14.501 -16.265 1.00 65.02 O ATOM 1072 CB LEU A 69 -7.690 -11.675 -14.531 1.00 1.10 C ATOM 1073 CG LEU A 69 -6.596 -11.072 -13.649 1.00 42.33 C ATOM 1074 CD1 LEU A 69 -7.200 -10.133 -12.617 1.00 3.43 C ATOM 1075 CD2 LEU A 69 -5.793 -12.171 -12.969 1.00 11.24 C ATOM 0 H LEU A 69 -8.428 -11.879 -17.617 1.00 0.44 H new ATOM 0 HA LEU A 69 -6.163 -12.072 -15.990 1.00 42.23 H new ATOM 0 HB2 LEU A 69 -8.471 -10.927 -14.669 1.00 1.10 H new ATOM 0 HB3 LEU A 69 -8.140 -12.511 -13.996 1.00 1.10 H new ATOM 0 HG LEU A 69 -5.921 -10.496 -14.282 1.00 42.33 H new ATOM 0 HD11 LEU A 69 -6.407 -9.713 -11.998 1.00 3.43 H new ATOM 0 HD12 LEU A 69 -7.729 -9.327 -13.125 1.00 3.43 H new ATOM 0 HD13 LEU A 69 -7.898 -10.685 -11.987 1.00 3.43 H new ATOM 0 HD21 LEU A 69 -5.019 -11.723 -12.345 1.00 11.24 H new ATOM 0 HD22 LEU A 69 -6.455 -12.774 -12.348 1.00 11.24 H new ATOM 0 HD23 LEU A 69 -5.329 -12.804 -13.726 1.00 11.24 H new ATOM 1087 N PRO A 70 -8.921 -13.933 -16.015 1.00 50.54 N ATOM 1088 CA PRO A 70 -9.433 -15.298 -16.162 1.00 71.23 C ATOM 1089 C PRO A 70 -9.284 -15.823 -17.586 1.00 60.22 C ATOM 1090 O PRO A 70 -9.465 -17.014 -17.841 1.00 41.00 O ATOM 1091 CB PRO A 70 -10.913 -15.164 -15.794 1.00 42.32 C ATOM 1092 CG PRO A 70 -11.248 -13.742 -16.085 1.00 42.33 C ATOM 1093 CD PRO A 70 -10.000 -12.955 -15.796 1.00 2.52 C ATOM 0 HA PRO A 70 -8.887 -16.007 -15.539 1.00 71.23 H new ATOM 0 HB2 PRO A 70 -11.530 -15.844 -16.381 1.00 42.32 H new ATOM 0 HB3 PRO A 70 -11.083 -15.404 -14.745 1.00 42.32 H new ATOM 0 HG2 PRO A 70 -11.556 -13.618 -17.123 1.00 42.33 H new ATOM 0 HG3 PRO A 70 -12.077 -13.401 -15.464 1.00 42.33 H new ATOM 0 HD2 PRO A 70 -9.904 -12.096 -16.460 1.00 2.52 H new ATOM 0 HD3 PRO A 70 -9.994 -12.572 -14.776 1.00 2.52 H new ATOM 1101 N ASP A 71 -8.953 -14.928 -18.510 1.00 42.11 N ATOM 1102 CA ASP A 71 -8.778 -15.302 -19.909 1.00 3.42 C ATOM 1103 C ASP A 71 -9.985 -16.083 -20.418 1.00 11.22 C ATOM 1104 O ASP A 71 -9.850 -16.983 -21.247 1.00 22.04 O ATOM 1105 CB ASP A 71 -7.506 -16.134 -20.081 1.00 73.21 C ATOM 1106 CG ASP A 71 -6.391 -15.687 -19.156 1.00 55.23 C ATOM 1107 OD1 ASP A 71 -5.773 -14.638 -19.436 1.00 14.14 O ATOM 1108 OD2 ASP A 71 -6.138 -16.385 -18.153 1.00 4.13 O ATOM 0 H ASP A 71 -8.800 -13.938 -18.316 1.00 42.11 H new ATOM 0 HA ASP A 71 -8.687 -14.388 -20.495 1.00 3.42 H new ATOM 0 HB2 ASP A 71 -7.733 -17.183 -19.891 1.00 73.21 H new ATOM 0 HB3 ASP A 71 -7.167 -16.064 -21.114 1.00 73.21 H new ATOM 1113 N ARG A 72 -11.165 -15.733 -19.915 1.00 44.12 N ATOM 1114 CA ARG A 72 -12.395 -16.403 -20.317 1.00 55.23 C ATOM 1115 C ARG A 72 -13.496 -15.388 -20.610 1.00 52.55 C ATOM 1116 O ARG A 72 -14.683 -15.707 -20.544 1.00 32.34 O ATOM 1117 CB ARG A 72 -12.856 -17.369 -19.224 1.00 40.11 C ATOM 1118 CG ARG A 72 -13.077 -18.789 -19.720 1.00 12.43 C ATOM 1119 CD ARG A 72 -12.660 -19.814 -18.677 1.00 51.10 C ATOM 1120 NE ARG A 72 -11.425 -20.500 -19.047 1.00 40.23 N ATOM 1121 CZ ARG A 72 -11.013 -21.629 -18.481 1.00 51.42 C ATOM 1122 NH1 ARG A 72 -11.734 -22.196 -17.524 1.00 54.22 N ATOM 1123 NH2 ARG A 72 -9.878 -22.193 -18.873 1.00 4.34 N ATOM 0 H ARG A 72 -11.294 -14.990 -19.229 1.00 44.12 H new ATOM 0 HA ARG A 72 -12.191 -16.966 -21.228 1.00 55.23 H new ATOM 0 HB2 ARG A 72 -12.113 -17.383 -18.426 1.00 40.11 H new ATOM 0 HB3 ARG A 72 -13.784 -16.997 -18.789 1.00 40.11 H new ATOM 0 HG2 ARG A 72 -14.129 -18.929 -19.969 1.00 12.43 H new ATOM 0 HG3 ARG A 72 -12.508 -18.948 -20.636 1.00 12.43 H new ATOM 0 HD2 ARG A 72 -12.525 -19.319 -17.715 1.00 51.10 H new ATOM 0 HD3 ARG A 72 -13.457 -20.546 -18.549 1.00 51.10 H new ATOM 0 HE ARG A 72 -10.847 -20.090 -19.780 1.00 40.23 H new ATOM 0 HH11 ARG A 72 -12.607 -21.765 -17.221 1.00 54.22 H new ATOM 0 HH12 ARG A 72 -11.415 -23.063 -17.091 1.00 54.22 H new ATOM 0 HH21 ARG A 72 -9.321 -21.760 -19.609 1.00 4.34 H new ATOM 0 HH22 ARG A 72 -9.562 -23.060 -18.438 1.00 4.34 H new ATOM 1137 N ASP A 73 -13.094 -14.164 -20.935 1.00 1.34 N ATOM 1138 CA ASP A 73 -14.046 -13.101 -21.239 1.00 24.44 C ATOM 1139 C ASP A 73 -14.278 -12.994 -22.742 1.00 74.34 C ATOM 1140 O ASP A 73 -14.486 -11.903 -23.271 1.00 53.12 O ATOM 1141 CB ASP A 73 -13.542 -11.765 -20.691 1.00 53.34 C ATOM 1142 CG ASP A 73 -14.640 -10.722 -20.611 1.00 21.01 C ATOM 1143 OD1 ASP A 73 -14.588 -9.744 -21.386 1.00 61.24 O ATOM 1144 OD2 ASP A 73 -15.551 -10.884 -19.773 1.00 74.11 O ATOM 0 H ASP A 73 -12.115 -13.883 -20.995 1.00 1.34 H new ATOM 0 HA ASP A 73 -14.994 -13.347 -20.760 1.00 24.44 H new ATOM 0 HB2 ASP A 73 -13.118 -11.919 -19.699 1.00 53.34 H new ATOM 0 HB3 ASP A 73 -12.738 -11.394 -21.327 1.00 53.34 H new ATOM 1149 N GLU A 74 -14.241 -14.135 -23.425 1.00 2.43 N ATOM 1150 CA GLU A 74 -14.446 -14.168 -24.868 1.00 41.40 C ATOM 1151 C GLU A 74 -13.399 -13.320 -25.586 1.00 14.13 C ATOM 1152 O GLU A 74 -13.718 -12.568 -26.506 1.00 73.51 O ATOM 1153 CB GLU A 74 -15.849 -13.669 -25.218 1.00 15.44 C ATOM 1154 CG GLU A 74 -16.949 -14.321 -24.397 1.00 33.10 C ATOM 1155 CD GLU A 74 -18.015 -14.968 -25.260 1.00 13.11 C ATOM 1156 OE1 GLU A 74 -19.094 -14.360 -25.424 1.00 61.03 O ATOM 1157 OE2 GLU A 74 -17.772 -16.081 -25.770 1.00 64.12 O ATOM 0 H GLU A 74 -14.071 -15.047 -23.002 1.00 2.43 H new ATOM 0 HA GLU A 74 -14.342 -15.201 -25.200 1.00 41.40 H new ATOM 0 HB2 GLU A 74 -15.889 -12.590 -25.071 1.00 15.44 H new ATOM 0 HB3 GLU A 74 -16.038 -13.854 -26.275 1.00 15.44 H new ATOM 0 HG2 GLU A 74 -16.511 -15.074 -23.742 1.00 33.10 H new ATOM 0 HG3 GLU A 74 -17.412 -13.571 -23.756 1.00 33.10 H new ATOM 1164 N GLY A 75 -12.147 -13.447 -25.156 1.00 54.42 N ATOM 1165 CA GLY A 75 -11.073 -12.686 -25.767 1.00 61.54 C ATOM 1166 C GLY A 75 -9.783 -13.478 -25.861 1.00 13.41 C ATOM 1167 O GLY A 75 -9.043 -13.357 -26.836 1.00 41.04 O ATOM 0 H GLY A 75 -11.858 -14.063 -24.396 1.00 54.42 H new ATOM 0 HA2 GLY A 75 -11.377 -12.372 -26.766 1.00 61.54 H new ATOM 0 HA3 GLY A 75 -10.898 -11.780 -25.187 1.00 61.54 H new ATOM 1171 N MET A 76 -9.513 -14.288 -24.843 1.00 31.20 N ATOM 1172 CA MET A 76 -8.303 -15.102 -24.815 1.00 12.22 C ATOM 1173 C MET A 76 -8.140 -15.879 -26.117 1.00 74.30 C ATOM 1174 O MET A 76 -7.022 -16.154 -26.551 1.00 31.45 O ATOM 1175 CB MET A 76 -8.341 -16.070 -23.631 1.00 13.24 C ATOM 1176 CG MET A 76 -7.228 -17.105 -23.656 1.00 13.33 C ATOM 1177 SD MET A 76 -7.748 -18.666 -24.393 1.00 42.24 S ATOM 1178 CE MET A 76 -6.177 -19.309 -24.966 1.00 32.14 C ATOM 0 H MET A 76 -10.115 -14.398 -24.027 1.00 31.20 H new ATOM 0 HA MET A 76 -7.449 -14.434 -24.702 1.00 12.22 H new ATOM 0 HB2 MET A 76 -8.275 -15.500 -22.704 1.00 13.24 H new ATOM 0 HB3 MET A 76 -9.303 -16.583 -23.622 1.00 13.24 H new ATOM 0 HG2 MET A 76 -6.381 -16.708 -24.215 1.00 13.33 H new ATOM 0 HG3 MET A 76 -6.882 -17.286 -22.638 1.00 13.33 H new ATOM 0 HE1 MET A 76 -6.333 -20.275 -25.447 1.00 32.14 H new ATOM 0 HE2 MET A 76 -5.739 -18.614 -25.682 1.00 32.14 H new ATOM 0 HE3 MET A 76 -5.503 -19.430 -24.118 1.00 32.14 H new ATOM 1188 N MET A 77 -9.263 -16.231 -26.736 1.00 11.44 N ATOM 1189 CA MET A 77 -9.243 -16.976 -27.989 1.00 15.20 C ATOM 1190 C MET A 77 -8.515 -16.192 -29.076 1.00 70.01 C ATOM 1191 O MET A 77 -7.750 -16.759 -29.855 1.00 24.33 O ATOM 1192 CB MET A 77 -10.670 -17.292 -28.441 1.00 73.22 C ATOM 1193 CG MET A 77 -11.553 -16.062 -28.574 1.00 43.32 C ATOM 1194 SD MET A 77 -13.269 -16.474 -28.942 1.00 31.12 S ATOM 1195 CE MET A 77 -13.250 -16.440 -30.732 1.00 45.45 C ATOM 0 H MET A 77 -10.197 -16.012 -26.390 1.00 11.44 H new ATOM 0 HA MET A 77 -8.708 -17.910 -27.819 1.00 15.20 H new ATOM 0 HB2 MET A 77 -10.632 -17.807 -29.401 1.00 73.22 H new ATOM 0 HB3 MET A 77 -11.124 -17.980 -27.728 1.00 73.22 H new ATOM 0 HG2 MET A 77 -11.512 -15.488 -27.648 1.00 43.32 H new ATOM 0 HG3 MET A 77 -11.160 -15.421 -29.363 1.00 43.32 H new ATOM 0 HE1 MET A 77 -14.244 -16.676 -31.111 1.00 45.45 H new ATOM 0 HE2 MET A 77 -12.958 -15.447 -31.074 1.00 45.45 H new ATOM 0 HE3 MET A 77 -12.536 -17.176 -31.102 1.00 45.45 H new ATOM 1205 N GLU A 78 -8.759 -14.886 -29.123 1.00 32.15 N ATOM 1206 CA GLU A 78 -8.126 -14.026 -30.116 1.00 35.23 C ATOM 1207 C GLU A 78 -6.811 -13.462 -29.587 1.00 42.45 C ATOM 1208 O GLU A 78 -6.002 -12.930 -30.348 1.00 34.31 O ATOM 1209 CB GLU A 78 -9.065 -12.882 -30.505 1.00 33.33 C ATOM 1210 CG GLU A 78 -9.895 -13.171 -31.744 1.00 51.24 C ATOM 1211 CD GLU A 78 -10.334 -11.908 -32.460 1.00 0.23 C ATOM 1212 OE1 GLU A 78 -11.551 -11.750 -32.690 1.00 13.42 O ATOM 1213 OE2 GLU A 78 -9.461 -11.078 -32.789 1.00 60.14 O ATOM 0 H GLU A 78 -9.390 -14.401 -28.485 1.00 32.15 H new ATOM 0 HA GLU A 78 -7.914 -14.628 -30.999 1.00 35.23 H new ATOM 0 HB2 GLU A 78 -9.734 -12.673 -29.670 1.00 33.33 H new ATOM 0 HB3 GLU A 78 -8.476 -11.981 -30.675 1.00 33.33 H new ATOM 0 HG2 GLU A 78 -9.315 -13.790 -32.429 1.00 51.24 H new ATOM 0 HG3 GLU A 78 -10.775 -13.748 -31.461 1.00 51.24 H new ATOM 1220 N GLU A 79 -6.605 -13.581 -28.280 1.00 10.05 N ATOM 1221 CA GLU A 79 -5.389 -13.081 -27.650 1.00 24.34 C ATOM 1222 C GLU A 79 -4.451 -14.230 -27.290 1.00 63.11 C ATOM 1223 O GLU A 79 -3.567 -14.084 -26.447 1.00 12.14 O ATOM 1224 CB GLU A 79 -5.731 -12.276 -26.394 1.00 74.43 C ATOM 1225 CG GLU A 79 -5.184 -10.859 -26.411 1.00 63.25 C ATOM 1226 CD GLU A 79 -5.528 -10.116 -27.688 1.00 32.14 C ATOM 1227 OE1 GLU A 79 -6.554 -10.457 -28.314 1.00 25.52 O ATOM 1228 OE2 GLU A 79 -4.773 -9.194 -28.060 1.00 71.23 O ATOM 0 H GLU A 79 -7.264 -14.019 -27.637 1.00 10.05 H new ATOM 0 HA GLU A 79 -4.883 -12.430 -28.363 1.00 24.34 H new ATOM 0 HB2 GLU A 79 -6.815 -12.237 -26.282 1.00 74.43 H new ATOM 0 HB3 GLU A 79 -5.339 -12.797 -25.521 1.00 74.43 H new ATOM 0 HG2 GLU A 79 -5.581 -10.310 -25.557 1.00 63.25 H new ATOM 0 HG3 GLU A 79 -4.101 -10.890 -26.294 1.00 63.25 H new ATOM 1235 N GLY A 80 -4.651 -15.374 -27.937 1.00 62.41 N ATOM 1236 CA GLY A 80 -3.817 -16.532 -27.672 1.00 63.11 C ATOM 1237 C GLY A 80 -3.948 -17.598 -28.742 1.00 22.24 C ATOM 1238 O GLY A 80 -2.969 -18.255 -29.098 1.00 52.32 O ATOM 0 H GLY A 80 -5.376 -15.520 -28.640 1.00 62.41 H new ATOM 0 HA2 GLY A 80 -2.776 -16.218 -27.602 1.00 63.11 H new ATOM 0 HA3 GLY A 80 -4.087 -16.957 -26.705 1.00 63.11 H new ATOM 1242 N LYS A 81 -5.161 -17.773 -29.255 1.00 21.35 N ATOM 1243 CA LYS A 81 -5.418 -18.768 -30.290 1.00 13.45 C ATOM 1244 C LYS A 81 -5.430 -18.123 -31.672 1.00 71.20 C ATOM 1245 O LYS A 81 -5.912 -18.714 -32.640 1.00 25.34 O ATOM 1246 CB LYS A 81 -6.753 -19.469 -30.031 1.00 35.32 C ATOM 1247 CG LYS A 81 -6.648 -20.984 -29.999 1.00 73.22 C ATOM 1248 CD LYS A 81 -7.815 -21.639 -30.719 1.00 35.35 C ATOM 1249 CE LYS A 81 -7.451 -22.012 -32.147 1.00 52.15 C ATOM 1250 NZ LYS A 81 -8.344 -23.074 -32.689 1.00 10.25 N ATOM 0 H LYS A 81 -5.982 -17.239 -28.971 1.00 21.35 H new ATOM 0 HA LYS A 81 -4.616 -19.505 -30.259 1.00 13.45 H new ATOM 0 HB2 LYS A 81 -7.158 -19.121 -29.081 1.00 35.32 H new ATOM 0 HB3 LYS A 81 -7.463 -19.179 -30.806 1.00 35.32 H new ATOM 0 HG2 LYS A 81 -5.712 -21.295 -30.463 1.00 73.22 H new ATOM 0 HG3 LYS A 81 -6.619 -21.326 -28.964 1.00 73.22 H new ATOM 0 HD2 LYS A 81 -8.124 -22.532 -30.176 1.00 35.35 H new ATOM 0 HD3 LYS A 81 -8.667 -20.960 -30.725 1.00 35.35 H new ATOM 0 HE2 LYS A 81 -7.513 -21.127 -32.780 1.00 52.15 H new ATOM 0 HE3 LYS A 81 -6.417 -22.355 -32.180 1.00 52.15 H new ATOM 0 HZ1 LYS A 81 -8.063 -23.300 -33.664 1.00 10.25 H new ATOM 0 HZ2 LYS A 81 -8.266 -23.927 -32.100 1.00 10.25 H new ATOM 0 HZ3 LYS A 81 -9.328 -22.737 -32.682 1.00 10.25 H new ATOM 1264 N LEU A 82 -4.897 -16.910 -31.759 1.00 4.24 N ATOM 1265 CA LEU A 82 -4.844 -16.186 -33.024 1.00 12.51 C ATOM 1266 C LEU A 82 -3.433 -15.678 -33.303 1.00 12.54 C ATOM 1267 O LEU A 82 -2.831 -16.016 -34.321 1.00 63.24 O ATOM 1268 CB LEU A 82 -5.826 -15.013 -33.004 1.00 11.22 C ATOM 1269 CG LEU A 82 -6.140 -14.377 -34.359 1.00 1.14 C ATOM 1270 CD1 LEU A 82 -7.334 -15.062 -35.006 1.00 3.51 C ATOM 1271 CD2 LEU A 82 -6.399 -12.886 -34.201 1.00 11.34 C ATOM 0 H LEU A 82 -4.495 -16.407 -30.968 1.00 4.24 H new ATOM 0 HA LEU A 82 -5.126 -16.875 -33.820 1.00 12.51 H new ATOM 0 HB2 LEU A 82 -6.761 -15.355 -32.561 1.00 11.22 H new ATOM 0 HB3 LEU A 82 -5.425 -14.241 -32.347 1.00 11.22 H new ATOM 0 HG LEU A 82 -5.275 -14.508 -35.010 1.00 1.14 H new ATOM 0 HD11 LEU A 82 -7.543 -14.596 -35.969 1.00 3.51 H new ATOM 0 HD12 LEU A 82 -7.111 -16.119 -35.155 1.00 3.51 H new ATOM 0 HD13 LEU A 82 -8.205 -14.963 -34.359 1.00 3.51 H new ATOM 0 HD21 LEU A 82 -6.621 -12.450 -35.175 1.00 11.34 H new ATOM 0 HD22 LEU A 82 -7.247 -12.733 -33.533 1.00 11.34 H new ATOM 0 HD23 LEU A 82 -5.515 -12.406 -33.781 1.00 11.34 H new ATOM 1283 N ASP A 83 -2.912 -14.865 -32.390 1.00 24.30 N ATOM 1284 CA ASP A 83 -1.570 -14.313 -32.536 1.00 23.15 C ATOM 1285 C ASP A 83 -0.659 -14.795 -31.411 1.00 22.03 C ATOM 1286 O ASP A 83 -0.964 -14.616 -30.232 1.00 44.30 O ATOM 1287 CB ASP A 83 -1.623 -12.785 -32.546 1.00 44.42 C ATOM 1288 CG ASP A 83 -2.882 -12.253 -33.203 1.00 23.42 C ATOM 1289 OD1 ASP A 83 -3.682 -11.594 -32.506 1.00 44.22 O ATOM 1290 OD2 ASP A 83 -3.067 -12.497 -34.413 1.00 42.44 O ATOM 0 H ASP A 83 -3.398 -14.574 -31.542 1.00 24.30 H new ATOM 0 HA ASP A 83 -1.162 -14.661 -33.485 1.00 23.15 H new ATOM 0 HB2 ASP A 83 -1.567 -12.416 -31.522 1.00 44.42 H new ATOM 0 HB3 ASP A 83 -0.751 -12.398 -33.072 1.00 44.42 H new ATOM 1295 N ALA A 84 0.460 -15.408 -31.784 1.00 34.43 N ATOM 1296 CA ALA A 84 1.415 -15.915 -30.807 1.00 22.33 C ATOM 1297 C ALA A 84 1.905 -14.801 -29.888 1.00 40.35 C ATOM 1298 O ALA A 84 2.235 -15.040 -28.727 1.00 35.21 O ATOM 1299 CB ALA A 84 2.591 -16.576 -31.512 1.00 14.04 C ATOM 0 H ALA A 84 0.727 -15.565 -32.756 1.00 34.43 H new ATOM 0 HA ALA A 84 0.908 -16.660 -30.193 1.00 22.33 H new ATOM 0 HB1 ALA A 84 3.296 -16.950 -30.770 1.00 14.04 H new ATOM 0 HB2 ALA A 84 2.231 -17.405 -32.121 1.00 14.04 H new ATOM 0 HB3 ALA A 84 3.089 -15.847 -32.151 1.00 14.04 H new ATOM 1305 N SER A 85 1.951 -13.582 -30.417 1.00 61.11 N ATOM 1306 CA SER A 85 2.405 -12.431 -29.646 1.00 4.11 C ATOM 1307 C SER A 85 1.488 -12.180 -28.453 1.00 1.00 C ATOM 1308 O SER A 85 1.948 -11.829 -27.366 1.00 14.24 O ATOM 1309 CB SER A 85 2.460 -11.185 -30.533 1.00 32.52 C ATOM 1310 OG SER A 85 2.740 -11.530 -31.878 1.00 45.45 O ATOM 0 H SER A 85 1.679 -13.366 -31.376 1.00 61.11 H new ATOM 0 HA SER A 85 3.406 -12.647 -29.273 1.00 4.11 H new ATOM 0 HB2 SER A 85 1.509 -10.655 -30.480 1.00 32.52 H new ATOM 0 HB3 SER A 85 3.226 -10.504 -30.162 1.00 32.52 H new ATOM 0 HG SER A 85 2.768 -10.717 -32.425 1.00 45.45 H new ATOM 1316 N CYS A 86 0.190 -12.363 -28.665 1.00 15.52 N ATOM 1317 CA CYS A 86 -0.794 -12.155 -27.608 1.00 32.41 C ATOM 1318 C CYS A 86 -0.645 -13.207 -26.513 1.00 10.52 C ATOM 1319 O CYS A 86 -0.628 -12.882 -25.326 1.00 25.32 O ATOM 1320 CB CYS A 86 -2.210 -12.200 -28.185 1.00 1.54 C ATOM 1321 SG CYS A 86 -2.555 -10.901 -29.394 1.00 51.33 S ATOM 0 H CYS A 86 -0.206 -12.655 -29.559 1.00 15.52 H new ATOM 0 HA CYS A 86 -0.619 -11.172 -27.170 1.00 32.41 H new ATOM 0 HB2 CYS A 86 -2.369 -13.171 -28.655 1.00 1.54 H new ATOM 0 HB3 CYS A 86 -2.927 -12.121 -27.368 1.00 1.54 H new ATOM 0 HG CYS A 86 -3.357 -10.022 -28.870 1.00 51.33 H new ATOM 1327 N ALA A 87 -0.540 -14.467 -26.920 1.00 64.13 N ATOM 1328 CA ALA A 87 -0.392 -15.566 -25.974 1.00 2.10 C ATOM 1329 C ALA A 87 0.896 -15.428 -25.169 1.00 42.03 C ATOM 1330 O ALA A 87 0.943 -15.776 -23.989 1.00 41.33 O ATOM 1331 CB ALA A 87 -0.419 -16.900 -26.706 1.00 10.34 C ATOM 0 H ALA A 87 -0.555 -14.753 -27.899 1.00 64.13 H new ATOM 0 HA ALA A 87 -1.230 -15.529 -25.278 1.00 2.10 H new ATOM 0 HB1 ALA A 87 -0.307 -17.712 -25.987 1.00 10.34 H new ATOM 0 HB2 ALA A 87 -1.368 -17.008 -27.231 1.00 10.34 H new ATOM 0 HB3 ALA A 87 0.399 -16.937 -27.425 1.00 10.34 H new ATOM 1337 N VAL A 88 1.941 -14.919 -25.815 1.00 55.03 N ATOM 1338 CA VAL A 88 3.230 -14.735 -25.159 1.00 55.24 C ATOM 1339 C VAL A 88 3.174 -13.595 -24.148 1.00 51.05 C ATOM 1340 O VAL A 88 3.694 -13.710 -23.039 1.00 41.32 O ATOM 1341 CB VAL A 88 4.344 -14.445 -26.183 1.00 14.14 C ATOM 1342 CG1 VAL A 88 5.640 -14.083 -25.473 1.00 74.32 C ATOM 1343 CG2 VAL A 88 4.545 -15.639 -27.103 1.00 22.31 C ATOM 0 H VAL A 88 1.920 -14.627 -26.792 1.00 55.03 H new ATOM 0 HA VAL A 88 3.457 -15.666 -24.640 1.00 55.24 H new ATOM 0 HB VAL A 88 4.042 -13.593 -26.792 1.00 14.14 H new ATOM 0 HG11 VAL A 88 6.416 -13.881 -26.212 1.00 74.32 H new ATOM 0 HG12 VAL A 88 5.483 -13.195 -24.860 1.00 74.32 H new ATOM 0 HG13 VAL A 88 5.951 -14.912 -24.838 1.00 74.32 H new ATOM 0 HG21 VAL A 88 5.335 -15.417 -27.820 1.00 22.31 H new ATOM 0 HG22 VAL A 88 4.826 -16.511 -26.512 1.00 22.31 H new ATOM 0 HG23 VAL A 88 3.618 -15.846 -27.638 1.00 22.31 H new ATOM 1353 N ALA A 89 2.539 -12.495 -24.540 1.00 12.04 N ATOM 1354 CA ALA A 89 2.413 -11.335 -23.667 1.00 14.53 C ATOM 1355 C ALA A 89 1.618 -11.676 -22.411 1.00 54.00 C ATOM 1356 O ALA A 89 2.007 -11.312 -21.301 1.00 31.52 O ATOM 1357 CB ALA A 89 1.756 -10.182 -24.412 1.00 61.24 C ATOM 0 H ALA A 89 2.104 -12.383 -25.456 1.00 12.04 H new ATOM 0 HA ALA A 89 3.414 -11.032 -23.361 1.00 14.53 H new ATOM 0 HB1 ALA A 89 1.668 -9.322 -23.748 1.00 61.24 H new ATOM 0 HB2 ALA A 89 2.365 -9.913 -25.275 1.00 61.24 H new ATOM 0 HB3 ALA A 89 0.764 -10.484 -24.747 1.00 61.24 H new ATOM 1363 N ILE A 90 0.503 -12.375 -22.594 1.00 73.22 N ATOM 1364 CA ILE A 90 -0.346 -12.765 -21.475 1.00 72.45 C ATOM 1365 C ILE A 90 0.355 -13.783 -20.582 1.00 71.22 C ATOM 1366 O ILE A 90 0.379 -13.638 -19.361 1.00 31.34 O ATOM 1367 CB ILE A 90 -1.681 -13.360 -21.962 1.00 51.22 C ATOM 1368 CG1 ILE A 90 -2.439 -12.339 -22.813 1.00 42.23 C ATOM 1369 CG2 ILE A 90 -2.527 -13.802 -20.778 1.00 31.14 C ATOM 1370 CD1 ILE A 90 -3.412 -12.967 -23.786 1.00 40.33 C ATOM 0 H ILE A 90 0.166 -12.683 -23.506 1.00 73.22 H new ATOM 0 HA ILE A 90 -0.548 -11.860 -20.902 1.00 72.45 H new ATOM 0 HB ILE A 90 -1.469 -14.234 -22.579 1.00 51.22 H new ATOM 0 HG12 ILE A 90 -2.982 -11.661 -22.155 1.00 42.23 H new ATOM 0 HG13 ILE A 90 -1.721 -11.736 -23.368 1.00 42.23 H new ATOM 0 HG21 ILE A 90 -3.467 -14.220 -21.138 1.00 31.14 H new ATOM 0 HG22 ILE A 90 -1.988 -14.559 -20.208 1.00 31.14 H new ATOM 0 HG23 ILE A 90 -2.733 -12.944 -20.138 1.00 31.14 H new ATOM 0 HD11 ILE A 90 -3.913 -12.184 -24.355 1.00 40.33 H new ATOM 0 HD12 ILE A 90 -2.872 -13.623 -24.469 1.00 40.33 H new ATOM 0 HD13 ILE A 90 -4.153 -13.547 -23.236 1.00 40.33 H new ATOM 1382 N GLU A 91 0.926 -14.812 -21.201 1.00 51.23 N ATOM 1383 CA GLU A 91 1.629 -15.853 -20.461 1.00 71.34 C ATOM 1384 C GLU A 91 2.762 -15.259 -19.629 1.00 74.22 C ATOM 1385 O GLU A 91 3.027 -15.708 -18.515 1.00 25.12 O ATOM 1386 CB GLU A 91 2.185 -16.906 -21.423 1.00 2.33 C ATOM 1387 CG GLU A 91 2.550 -18.216 -20.746 1.00 24.03 C ATOM 1388 CD GLU A 91 1.833 -19.406 -21.353 1.00 21.13 C ATOM 1389 OE1 GLU A 91 0.586 -19.436 -21.300 1.00 34.33 O ATOM 1390 OE2 GLU A 91 2.518 -20.307 -21.880 1.00 43.21 O ATOM 0 H GLU A 91 0.915 -14.947 -22.212 1.00 51.23 H new ATOM 0 HA GLU A 91 0.917 -16.328 -19.786 1.00 71.34 H new ATOM 0 HB2 GLU A 91 1.446 -17.102 -22.200 1.00 2.33 H new ATOM 0 HB3 GLU A 91 3.069 -16.504 -21.917 1.00 2.33 H new ATOM 0 HG2 GLU A 91 3.627 -18.370 -20.818 1.00 24.03 H new ATOM 0 HG3 GLU A 91 2.307 -18.153 -19.685 1.00 24.03 H new ATOM 1397 N GLU A 92 3.425 -14.248 -20.180 1.00 42.41 N ATOM 1398 CA GLU A 92 4.530 -13.593 -19.489 1.00 61.22 C ATOM 1399 C GLU A 92 4.021 -12.760 -18.316 1.00 64.31 C ATOM 1400 O GLU A 92 4.576 -12.810 -17.219 1.00 24.20 O ATOM 1401 CB GLU A 92 5.312 -12.704 -20.459 1.00 22.53 C ATOM 1402 CG GLU A 92 6.577 -12.115 -19.858 1.00 43.22 C ATOM 1403 CD GLU A 92 7.394 -11.335 -20.870 1.00 4.44 C ATOM 1404 OE1 GLU A 92 7.181 -11.533 -22.084 1.00 32.40 O ATOM 1405 OE2 GLU A 92 8.247 -10.526 -20.447 1.00 50.04 O ATOM 0 H GLU A 92 3.217 -13.865 -21.102 1.00 42.41 H new ATOM 0 HA GLU A 92 5.193 -14.367 -19.102 1.00 61.22 H new ATOM 0 HB2 GLU A 92 5.576 -13.287 -21.341 1.00 22.53 H new ATOM 0 HB3 GLU A 92 4.667 -11.892 -20.795 1.00 22.53 H new ATOM 0 HG2 GLU A 92 6.310 -11.459 -19.029 1.00 43.22 H new ATOM 0 HG3 GLU A 92 7.187 -12.918 -19.445 1.00 43.22 H new ATOM 1412 N ALA A 93 2.962 -11.995 -18.557 1.00 41.20 N ATOM 1413 CA ALA A 93 2.377 -11.152 -17.521 1.00 62.24 C ATOM 1414 C ALA A 93 1.963 -11.980 -16.309 1.00 43.32 C ATOM 1415 O ALA A 93 2.224 -11.599 -15.168 1.00 2.33 O ATOM 1416 CB ALA A 93 1.183 -10.389 -18.074 1.00 51.33 C ATOM 0 H ALA A 93 2.491 -11.941 -19.460 1.00 41.20 H new ATOM 0 HA ALA A 93 3.134 -10.437 -17.198 1.00 62.24 H new ATOM 0 HB1 ALA A 93 0.756 -9.764 -17.290 1.00 51.33 H new ATOM 0 HB2 ALA A 93 1.506 -9.760 -18.904 1.00 51.33 H new ATOM 0 HB3 ALA A 93 0.431 -11.095 -18.425 1.00 51.33 H new ATOM 1422 N ILE A 94 1.317 -13.112 -16.565 1.00 32.15 N ATOM 1423 CA ILE A 94 0.868 -13.993 -15.494 1.00 14.25 C ATOM 1424 C ILE A 94 2.042 -14.731 -14.860 1.00 72.31 C ATOM 1425 O ILE A 94 2.045 -14.996 -13.658 1.00 41.23 O ATOM 1426 CB ILE A 94 -0.157 -15.023 -16.004 1.00 61.03 C ATOM 1427 CG1 ILE A 94 0.478 -15.923 -17.066 1.00 23.31 C ATOM 1428 CG2 ILE A 94 -1.383 -14.318 -16.565 1.00 1.33 C ATOM 1429 CD1 ILE A 94 -0.484 -16.926 -17.662 1.00 73.41 C ATOM 0 H ILE A 94 1.093 -13.441 -17.504 1.00 32.15 H new ATOM 0 HA ILE A 94 0.392 -13.361 -14.744 1.00 14.25 H new ATOM 0 HB ILE A 94 -0.472 -15.646 -15.166 1.00 61.03 H new ATOM 0 HG12 ILE A 94 0.881 -15.300 -17.864 1.00 23.31 H new ATOM 0 HG13 ILE A 94 1.318 -16.457 -16.623 1.00 23.31 H new ATOM 0 HG21 ILE A 94 -2.098 -15.060 -16.921 1.00 1.33 H new ATOM 0 HG22 ILE A 94 -1.845 -13.715 -15.784 1.00 1.33 H new ATOM 0 HG23 ILE A 94 -1.086 -13.674 -17.393 1.00 1.33 H new ATOM 0 HD11 ILE A 94 0.035 -17.529 -18.407 1.00 73.41 H new ATOM 0 HD12 ILE A 94 -0.869 -17.574 -16.874 1.00 73.41 H new ATOM 0 HD13 ILE A 94 -1.312 -16.399 -18.135 1.00 73.41 H new ATOM 1441 N GLN A 95 3.037 -15.059 -15.677 1.00 65.51 N ATOM 1442 CA GLN A 95 4.218 -15.767 -15.196 1.00 4.41 C ATOM 1443 C GLN A 95 5.017 -14.898 -14.230 1.00 1.31 C ATOM 1444 O GLN A 95 5.666 -15.405 -13.314 1.00 1.52 O ATOM 1445 CB GLN A 95 5.102 -16.187 -16.372 1.00 14.01 C ATOM 1446 CG GLN A 95 6.419 -16.816 -15.949 1.00 20.52 C ATOM 1447 CD GLN A 95 6.798 -18.008 -16.806 1.00 4.02 C ATOM 1448 OE1 GLN A 95 6.460 -19.149 -16.488 1.00 41.43 O ATOM 1449 NE2 GLN A 95 7.505 -17.749 -17.900 1.00 71.51 N ATOM 0 H GLN A 95 3.049 -14.846 -16.674 1.00 65.51 H new ATOM 0 HA GLN A 95 3.885 -16.659 -14.665 1.00 4.41 H new ATOM 0 HB2 GLN A 95 4.554 -16.895 -16.993 1.00 14.01 H new ATOM 0 HB3 GLN A 95 5.308 -15.314 -16.991 1.00 14.01 H new ATOM 0 HG2 GLN A 95 7.209 -16.067 -16.005 1.00 20.52 H new ATOM 0 HG3 GLN A 95 6.350 -17.130 -14.907 1.00 20.52 H new ATOM 0 HE21 GLN A 95 7.763 -16.788 -18.125 1.00 71.51 H new ATOM 0 HE22 GLN A 95 7.790 -18.511 -18.515 1.00 71.51 H new ATOM 1458 N LEU A 96 4.966 -13.587 -14.440 1.00 71.13 N ATOM 1459 CA LEU A 96 5.685 -12.647 -13.588 1.00 42.41 C ATOM 1460 C LEU A 96 4.864 -12.294 -12.352 1.00 52.21 C ATOM 1461 O LEU A 96 5.386 -12.256 -11.238 1.00 13.44 O ATOM 1462 CB LEU A 96 6.024 -11.376 -14.369 1.00 54.24 C ATOM 1463 CG LEU A 96 7.127 -11.508 -15.420 1.00 53.40 C ATOM 1464 CD1 LEU A 96 7.124 -10.305 -16.351 1.00 10.13 C ATOM 1465 CD2 LEU A 96 8.485 -11.663 -14.751 1.00 34.51 C ATOM 0 H LEU A 96 4.434 -13.151 -15.193 1.00 71.13 H new ATOM 0 HA LEU A 96 6.610 -13.124 -13.263 1.00 42.41 H new ATOM 0 HB2 LEU A 96 5.118 -11.025 -14.864 1.00 54.24 H new ATOM 0 HB3 LEU A 96 6.318 -10.604 -13.658 1.00 54.24 H new ATOM 0 HG LEU A 96 6.932 -12.401 -16.013 1.00 53.40 H new ATOM 0 HD11 LEU A 96 7.915 -10.416 -17.092 1.00 10.13 H new ATOM 0 HD12 LEU A 96 6.160 -10.238 -16.856 1.00 10.13 H new ATOM 0 HD13 LEU A 96 7.294 -9.397 -15.773 1.00 10.13 H new ATOM 0 HD21 LEU A 96 9.258 -11.756 -15.514 1.00 34.51 H new ATOM 0 HD22 LEU A 96 8.688 -10.788 -14.133 1.00 34.51 H new ATOM 0 HD23 LEU A 96 8.483 -12.556 -14.126 1.00 34.51 H new ATOM 1477 N TYR A 97 3.576 -12.039 -12.557 1.00 4.30 N ATOM 1478 CA TYR A 97 2.683 -11.689 -11.459 1.00 55.04 C ATOM 1479 C TYR A 97 2.636 -12.804 -10.419 1.00 14.53 C ATOM 1480 O TYR A 97 2.675 -12.546 -9.216 1.00 55.12 O ATOM 1481 CB TYR A 97 1.275 -11.411 -11.989 1.00 72.13 C ATOM 1482 CG TYR A 97 0.279 -11.059 -10.907 1.00 61.12 C ATOM 1483 CD1 TYR A 97 0.469 -9.947 -10.096 1.00 24.20 C ATOM 1484 CD2 TYR A 97 -0.851 -11.839 -10.695 1.00 52.33 C ATOM 1485 CE1 TYR A 97 -0.437 -9.622 -9.106 1.00 12.04 C ATOM 1486 CE2 TYR A 97 -1.764 -11.520 -9.708 1.00 62.34 C ATOM 1487 CZ TYR A 97 -1.552 -10.411 -8.916 1.00 74.20 C ATOM 1488 OH TYR A 97 -2.458 -10.092 -7.931 1.00 14.51 O ATOM 0 H TYR A 97 3.128 -12.068 -13.473 1.00 4.30 H new ATOM 0 HA TYR A 97 3.069 -10.788 -10.982 1.00 55.04 H new ATOM 0 HB2 TYR A 97 1.322 -10.593 -12.708 1.00 72.13 H new ATOM 0 HB3 TYR A 97 0.919 -12.289 -12.527 1.00 72.13 H new ATOM 0 HD1 TYR A 97 1.340 -9.326 -10.242 1.00 24.20 H new ATOM 0 HD2 TYR A 97 -1.019 -12.709 -11.312 1.00 52.33 H new ATOM 0 HE1 TYR A 97 -0.273 -8.755 -8.484 1.00 12.04 H new ATOM 0 HE2 TYR A 97 -2.639 -12.136 -9.558 1.00 62.34 H new ATOM 0 HH TYR A 97 -3.186 -10.748 -7.931 1.00 14.51 H new ATOM 1498 N GLU A 98 2.552 -14.043 -10.892 1.00 22.01 N ATOM 1499 CA GLU A 98 2.500 -15.198 -10.003 1.00 13.52 C ATOM 1500 C GLU A 98 3.878 -15.501 -9.423 1.00 3.43 C ATOM 1501 O GLU A 98 3.999 -16.197 -8.415 1.00 42.15 O ATOM 1502 CB GLU A 98 1.969 -16.422 -10.751 1.00 51.02 C ATOM 1503 CG GLU A 98 2.974 -17.030 -11.715 1.00 5.43 C ATOM 1504 CD GLU A 98 2.342 -18.027 -12.666 1.00 51.52 C ATOM 1505 OE1 GLU A 98 2.248 -19.217 -12.301 1.00 24.21 O ATOM 1506 OE2 GLU A 98 1.941 -17.617 -13.775 1.00 52.34 O ATOM 0 H GLU A 98 2.518 -14.273 -11.885 1.00 22.01 H new ATOM 0 HA GLU A 98 1.823 -14.961 -9.182 1.00 13.52 H new ATOM 0 HB2 GLU A 98 1.670 -17.179 -10.026 1.00 51.02 H new ATOM 0 HB3 GLU A 98 1.073 -16.139 -11.304 1.00 51.02 H new ATOM 0 HG2 GLU A 98 3.447 -16.234 -12.291 1.00 5.43 H new ATOM 0 HG3 GLU A 98 3.762 -17.525 -11.148 1.00 5.43 H new ATOM 1513 N GLU A 99 4.914 -14.972 -10.067 1.00 62.41 N ATOM 1514 CA GLU A 99 6.284 -15.188 -9.616 1.00 0.30 C ATOM 1515 C GLU A 99 6.662 -14.187 -8.528 1.00 0.03 C ATOM 1516 O GLU A 99 7.495 -14.475 -7.668 1.00 53.15 O ATOM 1517 CB GLU A 99 7.256 -15.071 -10.792 1.00 1.42 C ATOM 1518 CG GLU A 99 8.718 -15.077 -10.376 1.00 54.32 C ATOM 1519 CD GLU A 99 9.261 -13.682 -10.134 1.00 1.00 C ATOM 1520 OE1 GLU A 99 9.884 -13.464 -9.073 1.00 73.53 O ATOM 1521 OE2 GLU A 99 9.064 -12.808 -11.004 1.00 70.41 O ATOM 0 H GLU A 99 4.831 -14.392 -10.902 1.00 62.41 H new ATOM 0 HA GLU A 99 6.348 -16.193 -9.200 1.00 0.30 H new ATOM 0 HB2 GLU A 99 7.080 -15.896 -11.482 1.00 1.42 H new ATOM 0 HB3 GLU A 99 7.046 -14.150 -11.336 1.00 1.42 H new ATOM 0 HG2 GLU A 99 8.831 -15.670 -9.468 1.00 54.32 H new ATOM 0 HG3 GLU A 99 9.310 -15.564 -11.151 1.00 54.32 H new ATOM 1528 N GLN A 100 6.044 -13.011 -8.573 1.00 20.23 N ATOM 1529 CA GLN A 100 6.317 -11.967 -7.592 1.00 34.43 C ATOM 1530 C GLN A 100 5.261 -11.966 -6.491 1.00 52.31 C ATOM 1531 O GLN A 100 5.542 -11.605 -5.347 1.00 54.13 O ATOM 1532 CB GLN A 100 6.363 -10.598 -8.272 1.00 62.21 C ATOM 1533 CG GLN A 100 7.625 -10.367 -9.088 1.00 1.24 C ATOM 1534 CD GLN A 100 8.318 -9.066 -8.734 1.00 51.42 C ATOM 1535 OE1 GLN A 100 8.037 -8.020 -9.321 1.00 64.23 O ATOM 1536 NE2 GLN A 100 9.229 -9.123 -7.770 1.00 11.52 N ATOM 0 H GLN A 100 5.351 -12.757 -9.278 1.00 20.23 H new ATOM 0 HA GLN A 100 7.287 -12.173 -7.140 1.00 34.43 H new ATOM 0 HB2 GLN A 100 5.495 -10.496 -8.923 1.00 62.21 H new ATOM 0 HB3 GLN A 100 6.284 -9.821 -7.512 1.00 62.21 H new ATOM 0 HG2 GLN A 100 8.314 -11.197 -8.928 1.00 1.24 H new ATOM 0 HG3 GLN A 100 7.372 -10.363 -10.148 1.00 1.24 H new ATOM 0 HE21 GLN A 100 9.430 -10.011 -7.310 1.00 11.52 H new ATOM 0 HE22 GLN A 100 9.728 -8.279 -7.489 1.00 11.52 H new ATOM 1545 N LEU A 101 4.046 -12.371 -6.843 1.00 54.44 N ATOM 1546 CA LEU A 101 2.946 -12.416 -5.885 1.00 44.33 C ATOM 1547 C LEU A 101 3.338 -13.211 -4.644 1.00 62.01 C ATOM 1548 O LEU A 101 3.114 -12.773 -3.516 1.00 11.53 O ATOM 1549 CB LEU A 101 1.706 -13.035 -6.531 1.00 52.03 C ATOM 1550 CG LEU A 101 0.515 -13.276 -5.603 1.00 0.22 C ATOM 1551 CD1 LEU A 101 -0.070 -11.954 -5.131 1.00 40.30 C ATOM 1552 CD2 LEU A 101 -0.547 -14.111 -6.303 1.00 23.40 C ATOM 0 H LEU A 101 3.797 -12.673 -7.785 1.00 54.44 H new ATOM 0 HA LEU A 101 2.718 -11.394 -5.582 1.00 44.33 H new ATOM 0 HB2 LEU A 101 1.382 -12.385 -7.344 1.00 52.03 H new ATOM 0 HB3 LEU A 101 1.991 -13.987 -6.978 1.00 52.03 H new ATOM 0 HG LEU A 101 0.865 -13.827 -4.730 1.00 0.22 H new ATOM 0 HD11 LEU A 101 -0.917 -12.145 -4.472 1.00 40.30 H new ATOM 0 HD12 LEU A 101 0.691 -11.392 -4.590 1.00 40.30 H new ATOM 0 HD13 LEU A 101 -0.405 -11.376 -5.992 1.00 40.30 H new ATOM 0 HD21 LEU A 101 -1.387 -14.272 -5.627 1.00 23.40 H new ATOM 0 HD22 LEU A 101 -0.893 -13.587 -7.194 1.00 23.40 H new ATOM 0 HD23 LEU A 101 -0.123 -15.073 -6.590 1.00 23.40 H new ATOM 1564 N LYS A 102 3.927 -14.382 -4.860 1.00 20.40 N ATOM 1565 CA LYS A 102 4.354 -15.239 -3.760 1.00 2.21 C ATOM 1566 C LYS A 102 5.597 -14.673 -3.081 1.00 2.32 C ATOM 1567 O LYS A 102 5.847 -14.935 -1.905 1.00 1.13 O ATOM 1568 CB LYS A 102 4.638 -16.654 -4.269 1.00 11.04 C ATOM 1569 CG LYS A 102 3.730 -17.711 -3.664 1.00 51.02 C ATOM 1570 CD LYS A 102 2.273 -17.461 -4.014 1.00 14.50 C ATOM 1571 CE LYS A 102 1.990 -17.766 -5.477 1.00 43.51 C ATOM 1572 NZ LYS A 102 2.242 -19.196 -5.804 1.00 64.31 N ATOM 0 H LYS A 102 4.120 -14.760 -5.788 1.00 20.40 H new ATOM 0 HA LYS A 102 3.547 -15.278 -3.028 1.00 2.21 H new ATOM 0 HB2 LYS A 102 4.528 -16.670 -5.353 1.00 11.04 H new ATOM 0 HB3 LYS A 102 5.675 -16.909 -4.050 1.00 11.04 H new ATOM 0 HG2 LYS A 102 4.027 -18.696 -4.023 1.00 51.02 H new ATOM 0 HG3 LYS A 102 3.849 -17.717 -2.581 1.00 51.02 H new ATOM 0 HD2 LYS A 102 1.635 -18.079 -3.383 1.00 14.50 H new ATOM 0 HD3 LYS A 102 2.020 -16.422 -3.802 1.00 14.50 H new ATOM 0 HE2 LYS A 102 0.953 -17.518 -5.706 1.00 43.51 H new ATOM 0 HE3 LYS A 102 2.615 -17.134 -6.107 1.00 43.51 H new ATOM 0 HZ1 LYS A 102 1.419 -19.588 -6.306 1.00 64.31 H new ATOM 0 HZ2 LYS A 102 3.084 -19.270 -6.409 1.00 64.31 H new ATOM 0 HZ3 LYS A 102 2.398 -19.731 -4.926 1.00 64.31 H new ATOM 1586 N ALA A 103 6.372 -13.894 -3.829 1.00 20.21 N ATOM 1587 CA ALA A 103 7.587 -13.288 -3.298 1.00 33.44 C ATOM 1588 C ALA A 103 7.264 -12.295 -2.186 1.00 70.24 C ATOM 1589 O ALA A 103 8.003 -12.183 -1.209 1.00 1.12 O ATOM 1590 CB ALA A 103 8.365 -12.603 -4.411 1.00 23.22 C ATOM 0 H ALA A 103 6.180 -13.668 -4.805 1.00 20.21 H new ATOM 0 HA ALA A 103 8.204 -14.080 -2.874 1.00 33.44 H new ATOM 0 HB1 ALA A 103 9.270 -12.155 -4.000 1.00 23.22 H new ATOM 0 HB2 ALA A 103 8.636 -13.337 -5.170 1.00 23.22 H new ATOM 0 HB3 ALA A 103 7.748 -11.826 -4.861 1.00 23.22 H new ATOM 1596 N GLN A 104 6.157 -11.577 -2.344 1.00 51.11 N ATOM 1597 CA GLN A 104 5.738 -10.592 -1.354 1.00 23.03 C ATOM 1598 C GLN A 104 4.529 -11.089 -0.569 1.00 21.44 C ATOM 1599 O GLN A 104 3.800 -10.301 0.032 1.00 53.01 O ATOM 1600 CB GLN A 104 5.408 -9.262 -2.034 1.00 32.31 C ATOM 1601 CG GLN A 104 6.434 -8.838 -3.072 1.00 23.40 C ATOM 1602 CD GLN A 104 6.037 -7.570 -3.802 1.00 31.43 C ATOM 1603 OE1 GLN A 104 5.101 -6.877 -3.401 1.00 62.33 O ATOM 1604 NE2 GLN A 104 6.748 -7.260 -4.879 1.00 52.34 N ATOM 0 H GLN A 104 5.534 -11.659 -3.148 1.00 51.11 H new ATOM 0 HA GLN A 104 6.563 -10.441 -0.658 1.00 23.03 H new ATOM 0 HB2 GLN A 104 4.431 -9.340 -2.512 1.00 32.31 H new ATOM 0 HB3 GLN A 104 5.330 -8.485 -1.274 1.00 32.31 H new ATOM 0 HG2 GLN A 104 7.397 -8.685 -2.584 1.00 23.40 H new ATOM 0 HG3 GLN A 104 6.567 -9.642 -3.795 1.00 23.40 H new ATOM 0 HE21 GLN A 104 7.515 -7.864 -5.175 1.00 52.34 H new ATOM 0 HE22 GLN A 104 6.527 -6.418 -5.411 1.00 52.34 H new ATOM 1613 N ALA A 105 4.323 -12.402 -0.578 1.00 73.34 N ATOM 1614 CA ALA A 105 3.203 -13.005 0.134 1.00 11.20 C ATOM 1615 C ALA A 105 3.687 -14.049 1.135 1.00 53.42 C ATOM 1616 O ALA A 105 2.947 -14.961 1.501 1.00 24.13 O ATOM 1617 CB ALA A 105 2.225 -13.628 -0.851 1.00 31.53 C ATOM 0 H ALA A 105 4.917 -13.069 -1.071 1.00 73.34 H new ATOM 0 HA ALA A 105 2.691 -12.218 0.688 1.00 11.20 H new ATOM 0 HB1 ALA A 105 1.394 -14.075 -0.305 1.00 31.53 H new ATOM 0 HB2 ALA A 105 1.846 -12.858 -1.523 1.00 31.53 H new ATOM 0 HB3 ALA A 105 2.734 -14.398 -1.431 1.00 31.53 H new ATOM 1623 N GLY A 106 4.934 -13.908 1.573 1.00 22.13 N ATOM 1624 CA GLY A 106 5.495 -14.847 2.527 1.00 3.22 C ATOM 1625 C GLY A 106 5.901 -16.157 1.881 1.00 1.24 C ATOM 1626 O GLY A 106 5.487 -17.228 2.321 1.00 35.41 O ATOM 0 H GLY A 106 5.566 -13.161 1.285 1.00 22.13 H new ATOM 0 HA2 GLY A 106 6.364 -14.397 3.007 1.00 3.22 H new ATOM 0 HA3 GLY A 106 4.764 -15.043 3.311 1.00 3.22 H new ATOM 1630 N GLY A 107 6.714 -16.071 0.833 1.00 71.24 N ATOM 1631 CA GLY A 107 7.161 -17.266 0.141 1.00 74.22 C ATOM 1632 C GLY A 107 8.446 -17.043 -0.631 1.00 21.11 C ATOM 1633 O GLY A 107 8.865 -15.904 -0.839 1.00 40.12 O ATOM 0 H GLY A 107 7.071 -15.195 0.451 1.00 71.24 H new ATOM 0 HA2 GLY A 107 7.310 -18.067 0.865 1.00 74.22 H new ATOM 0 HA3 GLY A 107 6.382 -17.598 -0.545 1.00 74.22 H new ATOM 1637 N THR A 108 9.076 -18.134 -1.056 1.00 4.31 N ATOM 1638 CA THR A 108 10.323 -18.052 -1.806 1.00 62.51 C ATOM 1639 C THR A 108 11.450 -17.499 -0.941 1.00 61.15 C ATOM 1640 O THR A 108 11.998 -16.435 -1.226 1.00 12.12 O ATOM 1641 CB THR A 108 10.169 -17.167 -3.057 1.00 63.12 C ATOM 1642 OG1 THR A 108 8.849 -17.303 -3.594 1.00 52.10 O ATOM 1643 CG2 THR A 108 11.194 -17.544 -4.116 1.00 60.34 C ATOM 0 H THR A 108 8.743 -19.084 -0.894 1.00 4.31 H new ATOM 0 HA THR A 108 10.572 -19.067 -2.117 1.00 62.51 H new ATOM 0 HB THR A 108 10.337 -16.130 -2.764 1.00 63.12 H new ATOM 0 HG1 THR A 108 8.759 -16.736 -4.388 1.00 52.10 H new ATOM 0 HG21 THR A 108 11.066 -16.906 -4.990 1.00 60.34 H new ATOM 0 HG22 THR A 108 12.198 -17.411 -3.714 1.00 60.34 H new ATOM 0 HG23 THR A 108 11.053 -18.586 -4.404 1.00 60.34 H new ATOM 1651 N ASN A 109 11.792 -18.229 0.115 1.00 22.31 N ATOM 1652 CA ASN A 109 12.855 -17.811 1.022 1.00 41.33 C ATOM 1653 C ASN A 109 12.542 -16.449 1.635 1.00 20.44 C ATOM 1654 O ASN A 109 13.446 -15.669 1.932 1.00 21.22 O ATOM 1655 CB ASN A 109 14.193 -17.753 0.281 1.00 74.22 C ATOM 1656 CG ASN A 109 14.356 -18.893 -0.706 1.00 24.23 C ATOM 1657 OD1 ASN A 109 13.961 -20.027 -0.433 1.00 11.41 O ATOM 1658 ND2 ASN A 109 14.943 -18.597 -1.860 1.00 14.21 N ATOM 0 H ASN A 109 11.349 -19.113 0.364 1.00 22.31 H new ATOM 0 HA ASN A 109 12.923 -18.545 1.825 1.00 41.33 H new ATOM 0 HB2 ASN A 109 14.271 -16.803 -0.248 1.00 74.22 H new ATOM 0 HB3 ASN A 109 15.008 -17.783 1.004 1.00 74.22 H new ATOM 0 HD21 ASN A 109 15.082 -19.323 -2.562 1.00 14.21 H new ATOM 0 HD22 ASN A 109 15.255 -17.643 -2.044 1.00 14.21 H new ATOM 1665 N GLU A 110 11.255 -16.173 1.823 1.00 43.53 N ATOM 1666 CA GLU A 110 10.824 -14.905 2.401 1.00 74.41 C ATOM 1667 C GLU A 110 9.493 -15.066 3.131 1.00 3.32 C ATOM 1668 O GLU A 110 9.438 -15.010 4.359 1.00 31.41 O ATOM 1669 CB GLU A 110 10.694 -13.840 1.311 1.00 42.34 C ATOM 1670 CG GLU A 110 11.282 -12.494 1.702 1.00 72.22 C ATOM 1671 CD GLU A 110 10.391 -11.724 2.657 1.00 31.00 C ATOM 1672 OE1 GLU A 110 10.019 -12.290 3.707 1.00 52.54 O ATOM 1673 OE2 GLU A 110 10.066 -10.557 2.355 1.00 13.24 O ATOM 0 H GLU A 110 10.494 -16.809 1.584 1.00 43.53 H new ATOM 0 HA GLU A 110 11.579 -14.587 3.121 1.00 74.41 H new ATOM 0 HB2 GLU A 110 11.189 -14.195 0.407 1.00 42.34 H new ATOM 0 HB3 GLU A 110 9.640 -13.709 1.066 1.00 42.34 H new ATOM 0 HG2 GLU A 110 12.257 -12.648 2.165 1.00 72.22 H new ATOM 0 HG3 GLU A 110 11.446 -11.899 0.804 1.00 72.22 H new TER 1680 GLU A 110