USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 720 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 58 ASN : amide:sc= -0.815 K(o=-0.22,f=-3.5!) USER MOD Set 1.2: A 59 SER OG : rot 73:sc= 0.595 USER MOD Single : A 4 SER OG : rot -48:sc= 1.07 USER MOD Single : A 9 THR OG1 : rot 86:sc= 1.02 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 26 MET CE :methyl 158:sc= -0.11 (180deg=-0.603) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0255 USER MOD Single : A 40 SER OG : rot 41:sc= 0.601 USER MOD Single : A 45 CYS SG : rot 138:sc= -0.133 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= -0.816 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.0983 K(o=-0.098,f=-1.3!) 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= 0.082 USER MOD Single : A 86 CYS SG : rot 131:sc= -0.0723 USER MOD Single : A 95 GLN : amide:sc= -1.38 X(o=-1.4,f=-1.7) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 37 N PRO A 3 0.751 1.485 -5.431 1.00 33.13 N ATOM 38 CA PRO A 3 0.652 2.496 -6.487 1.00 44.33 C ATOM 39 C PRO A 3 -0.145 2.003 -7.690 1.00 22.22 C ATOM 40 O PRO A 3 -0.092 0.824 -8.040 1.00 71.10 O ATOM 41 CB PRO A 3 2.111 2.744 -6.878 1.00 65.01 C ATOM 42 CG PRO A 3 2.820 1.485 -6.514 1.00 2.33 C ATOM 43 CD PRO A 3 2.117 0.952 -5.297 1.00 33.54 C ATOM 0 HA PRO A 3 0.129 3.390 -6.147 1.00 44.33 H new ATOM 0 HB2 PRO A 3 2.205 2.957 -7.943 1.00 65.01 H new ATOM 0 HB3 PRO A 3 2.524 3.600 -6.344 1.00 65.01 H new ATOM 0 HG2 PRO A 3 2.783 0.766 -7.332 1.00 2.33 H new ATOM 0 HG3 PRO A 3 3.872 1.676 -6.304 1.00 2.33 H new ATOM 0 HD2 PRO A 3 2.123 -0.138 -5.275 1.00 33.54 H new ATOM 0 HD3 PRO A 3 2.593 1.292 -4.377 1.00 33.54 H new ATOM 51 N SER A 4 -0.882 2.912 -8.319 1.00 14.33 N ATOM 52 CA SER A 4 -1.694 2.568 -9.481 1.00 5.24 C ATOM 53 C SER A 4 -2.645 1.420 -9.158 1.00 61.12 C ATOM 54 O SER A 4 -2.971 0.607 -10.023 1.00 51.05 O ATOM 55 CB SER A 4 -0.797 2.187 -10.660 1.00 61.31 C ATOM 56 OG SER A 4 -1.568 1.868 -11.805 1.00 75.11 O ATOM 0 H SER A 4 -0.934 3.893 -8.044 1.00 14.33 H new ATOM 0 HA SER A 4 -2.287 3.442 -9.752 1.00 5.24 H new ATOM 0 HB2 SER A 4 -0.123 3.012 -10.890 1.00 61.31 H new ATOM 0 HB3 SER A 4 -0.175 1.334 -10.387 1.00 61.31 H new ATOM 0 HG SER A 4 -2.281 1.243 -11.556 1.00 75.11 H new ATOM 62 N PHE A 5 -3.087 1.360 -7.906 1.00 62.14 N ATOM 63 CA PHE A 5 -4.000 0.311 -7.468 1.00 12.25 C ATOM 64 C PHE A 5 -3.490 -1.065 -7.885 1.00 44.34 C ATOM 65 O PHE A 5 -3.843 -1.573 -8.949 1.00 44.32 O ATOM 66 CB PHE A 5 -5.397 0.547 -8.046 1.00 62.24 C ATOM 67 CG PHE A 5 -6.505 0.063 -7.155 1.00 4.01 C ATOM 68 CD1 PHE A 5 -7.257 -1.048 -7.503 1.00 5.44 C ATOM 69 CD2 PHE A 5 -6.794 0.719 -5.970 1.00 14.35 C ATOM 70 CE1 PHE A 5 -8.276 -1.496 -6.684 1.00 55.33 C ATOM 71 CE2 PHE A 5 -7.813 0.276 -5.147 1.00 62.42 C ATOM 72 CZ PHE A 5 -8.555 -0.832 -5.506 1.00 35.45 C ATOM 0 H PHE A 5 -2.828 2.025 -7.177 1.00 62.14 H new ATOM 0 HA PHE A 5 -4.054 0.343 -6.380 1.00 12.25 H new ATOM 0 HB2 PHE A 5 -5.530 1.613 -8.230 1.00 62.24 H new ATOM 0 HB3 PHE A 5 -5.472 0.045 -9.011 1.00 62.24 H new ATOM 0 HD1 PHE A 5 -7.044 -1.569 -8.425 1.00 5.44 H new ATOM 0 HD2 PHE A 5 -6.217 1.586 -5.686 1.00 14.35 H new ATOM 0 HE1 PHE A 5 -8.853 -2.364 -6.965 1.00 55.33 H new ATOM 0 HE2 PHE A 5 -8.028 0.796 -4.225 1.00 62.42 H new ATOM 0 HZ PHE A 5 -9.353 -1.179 -4.866 1.00 35.45 H new ATOM 82 N ALA A 6 -2.656 -1.662 -7.040 1.00 0.31 N ATOM 83 CA ALA A 6 -2.098 -2.979 -7.320 1.00 5.33 C ATOM 84 C ALA A 6 -1.245 -2.956 -8.584 1.00 22.13 C ATOM 85 O ALA A 6 -1.696 -3.313 -9.672 1.00 61.13 O ATOM 86 CB ALA A 6 -3.211 -4.007 -7.450 1.00 71.33 C ATOM 0 H ALA A 6 -2.352 -1.254 -6.156 1.00 0.31 H new ATOM 0 HA ALA A 6 -1.456 -3.260 -6.485 1.00 5.33 H new ATOM 0 HB1 ALA A 6 -2.780 -4.986 -7.659 1.00 71.33 H new ATOM 0 HB2 ALA A 6 -3.776 -4.051 -6.519 1.00 71.33 H new ATOM 0 HB3 ALA A 6 -3.876 -3.722 -8.265 1.00 71.33 H new ATOM 92 N PRO A 7 0.017 -2.526 -8.439 1.00 65.14 N ATOM 93 CA PRO A 7 0.960 -2.447 -9.560 1.00 13.45 C ATOM 94 C PRO A 7 1.382 -3.823 -10.060 1.00 63.45 C ATOM 95 O PRO A 7 1.821 -4.670 -9.283 1.00 13.01 O ATOM 96 CB PRO A 7 2.158 -1.704 -8.963 1.00 52.42 C ATOM 97 CG PRO A 7 2.086 -1.980 -7.501 1.00 74.32 C ATOM 98 CD PRO A 7 0.622 -2.085 -7.171 1.00 63.03 C ATOM 0 HA PRO A 7 0.523 -1.952 -10.427 1.00 13.45 H new ATOM 0 HB2 PRO A 7 3.096 -2.061 -9.387 1.00 52.42 H new ATOM 0 HB3 PRO A 7 2.102 -0.635 -9.167 1.00 52.42 H new ATOM 0 HG2 PRO A 7 2.609 -2.903 -7.252 1.00 74.32 H new ATOM 0 HG3 PRO A 7 2.559 -1.181 -6.929 1.00 74.32 H new ATOM 0 HD2 PRO A 7 0.441 -2.801 -6.369 1.00 63.03 H new ATOM 0 HD3 PRO A 7 0.215 -1.129 -6.843 1.00 63.03 H new ATOM 106 N GLY A 8 1.248 -4.041 -11.365 1.00 53.44 N ATOM 107 CA GLY A 8 1.620 -5.317 -11.947 1.00 44.34 C ATOM 108 C GLY A 8 0.421 -6.101 -12.441 1.00 61.04 C ATOM 109 O GLY A 8 0.485 -7.322 -12.587 1.00 72.24 O ATOM 0 H GLY A 8 0.888 -3.356 -12.030 1.00 53.44 H new ATOM 0 HA2 GLY A 8 2.306 -5.148 -12.777 1.00 44.34 H new ATOM 0 HA3 GLY A 8 2.156 -5.909 -11.205 1.00 44.34 H new ATOM 113 N THR A 9 -0.678 -5.399 -12.699 1.00 13.04 N ATOM 114 CA THR A 9 -1.898 -6.037 -13.176 1.00 74.21 C ATOM 115 C THR A 9 -2.078 -5.828 -14.675 1.00 41.03 C ATOM 116 O THR A 9 -1.946 -4.711 -15.177 1.00 13.41 O ATOM 117 CB THR A 9 -3.140 -5.496 -12.442 1.00 23.44 C ATOM 118 OG1 THR A 9 -2.857 -5.349 -11.045 1.00 74.35 O ATOM 119 CG2 THR A 9 -4.328 -6.428 -12.629 1.00 3.04 C ATOM 0 H THR A 9 -0.748 -4.388 -12.585 1.00 13.04 H new ATOM 0 HA THR A 9 -1.798 -7.103 -12.969 1.00 74.21 H new ATOM 0 HB THR A 9 -3.391 -4.524 -12.866 1.00 23.44 H new ATOM 0 HG1 THR A 9 -2.441 -4.476 -10.886 1.00 74.35 H new ATOM 0 HG21 THR A 9 -5.193 -6.025 -12.102 1.00 3.04 H new ATOM 0 HG22 THR A 9 -4.558 -6.515 -13.691 1.00 3.04 H new ATOM 0 HG23 THR A 9 -4.085 -7.412 -12.228 1.00 3.04 H new ATOM 127 N LEU A 10 -2.380 -6.909 -15.387 1.00 5.43 N ATOM 128 CA LEU A 10 -2.578 -6.843 -16.830 1.00 72.24 C ATOM 129 C LEU A 10 -4.056 -6.677 -17.170 1.00 0.13 C ATOM 130 O LEU A 10 -4.904 -7.424 -16.681 1.00 61.15 O ATOM 131 CB LEU A 10 -2.029 -8.105 -17.498 1.00 43.03 C ATOM 132 CG LEU A 10 -1.853 -8.039 -19.016 1.00 2.13 C ATOM 133 CD1 LEU A 10 -0.856 -9.088 -19.484 1.00 12.12 C ATOM 134 CD2 LEU A 10 -3.191 -8.222 -19.716 1.00 72.03 C ATOM 0 H LEU A 10 -2.493 -7.841 -14.988 1.00 5.43 H new ATOM 0 HA LEU A 10 -2.037 -5.975 -17.207 1.00 72.24 H new ATOM 0 HB2 LEU A 10 -1.063 -8.338 -17.050 1.00 43.03 H new ATOM 0 HB3 LEU A 10 -2.697 -8.935 -17.265 1.00 43.03 H new ATOM 0 HG LEU A 10 -1.462 -7.055 -19.275 1.00 2.13 H new ATOM 0 HD11 LEU A 10 -0.744 -9.026 -20.566 1.00 12.12 H new ATOM 0 HD12 LEU A 10 0.109 -8.911 -19.008 1.00 12.12 H new ATOM 0 HD13 LEU A 10 -1.217 -10.080 -19.213 1.00 12.12 H new ATOM 0 HD21 LEU A 10 -3.047 -8.172 -20.795 1.00 72.03 H new ATOM 0 HD22 LEU A 10 -3.611 -9.192 -19.450 1.00 72.03 H new ATOM 0 HD23 LEU A 10 -3.875 -7.433 -19.405 1.00 72.03 H new ATOM 146 N VAL A 11 -4.358 -5.693 -18.011 1.00 64.35 N ATOM 147 CA VAL A 11 -5.733 -5.431 -18.419 1.00 45.33 C ATOM 148 C VAL A 11 -5.834 -5.255 -19.930 1.00 64.43 C ATOM 149 O VAL A 11 -4.856 -5.446 -20.654 1.00 74.41 O ATOM 150 CB VAL A 11 -6.292 -4.173 -17.729 1.00 12.30 C ATOM 151 CG1 VAL A 11 -6.203 -4.309 -16.217 1.00 12.04 C ATOM 152 CG2 VAL A 11 -5.554 -2.931 -18.205 1.00 65.00 C ATOM 0 H VAL A 11 -3.669 -5.064 -18.423 1.00 64.35 H new ATOM 0 HA VAL A 11 -6.323 -6.296 -18.117 1.00 45.33 H new ATOM 0 HB VAL A 11 -7.343 -4.069 -17.999 1.00 12.30 H new ATOM 0 HG11 VAL A 11 -6.603 -3.411 -15.747 1.00 12.04 H new ATOM 0 HG12 VAL A 11 -6.781 -5.175 -15.895 1.00 12.04 H new ATOM 0 HG13 VAL A 11 -5.161 -4.439 -15.924 1.00 12.04 H new ATOM 0 HG21 VAL A 11 -5.962 -2.052 -17.707 1.00 65.00 H new ATOM 0 HG22 VAL A 11 -4.494 -3.024 -17.967 1.00 65.00 H new ATOM 0 HG23 VAL A 11 -5.676 -2.826 -19.283 1.00 65.00 H new ATOM 162 N TRP A 12 -7.021 -4.890 -20.400 1.00 31.34 N ATOM 163 CA TRP A 12 -7.250 -4.688 -21.826 1.00 20.42 C ATOM 164 C TRP A 12 -7.646 -3.245 -22.115 1.00 2.44 C ATOM 165 O TRP A 12 -8.504 -2.678 -21.437 1.00 31.24 O ATOM 166 CB TRP A 12 -8.338 -5.639 -22.328 1.00 51.22 C ATOM 167 CG TRP A 12 -7.807 -6.969 -22.770 1.00 52.12 C ATOM 168 CD1 TRP A 12 -6.657 -7.201 -23.468 1.00 64.32 C ATOM 169 CD2 TRP A 12 -8.408 -8.249 -22.545 1.00 50.15 C ATOM 170 NE1 TRP A 12 -6.506 -8.549 -23.691 1.00 0.20 N ATOM 171 CE2 TRP A 12 -7.567 -9.213 -23.134 1.00 65.21 C ATOM 172 CE3 TRP A 12 -9.573 -8.675 -21.903 1.00 15.34 C ATOM 173 CZ2 TRP A 12 -7.856 -10.575 -23.099 1.00 13.52 C ATOM 174 CZ3 TRP A 12 -9.860 -10.026 -21.869 1.00 23.12 C ATOM 175 CH2 TRP A 12 -9.004 -10.963 -22.463 1.00 20.20 C ATOM 0 H TRP A 12 -7.840 -4.728 -19.814 1.00 31.34 H new ATOM 0 HA TRP A 12 -6.319 -4.901 -22.352 1.00 20.42 H new ATOM 0 HB2 TRP A 12 -9.070 -5.793 -21.535 1.00 51.22 H new ATOM 0 HB3 TRP A 12 -8.864 -5.171 -23.160 1.00 51.22 H new ATOM 0 HD1 TRP A 12 -5.967 -6.438 -23.797 1.00 64.32 H new ATOM 0 HE1 TRP A 12 -5.730 -8.984 -24.190 1.00 0.20 H new ATOM 0 HE3 TRP A 12 -10.238 -7.960 -21.441 1.00 15.34 H new ATOM 0 HZ2 TRP A 12 -7.198 -11.299 -23.557 1.00 13.52 H new ATOM 0 HZ3 TRP A 12 -10.759 -10.366 -21.376 1.00 23.12 H new ATOM 0 HH2 TRP A 12 -9.255 -12.012 -22.418 1.00 20.20 H new ATOM 186 N LEU A 13 -7.016 -2.654 -23.124 1.00 51.21 N ATOM 187 CA LEU A 13 -7.303 -1.275 -23.503 1.00 13.41 C ATOM 188 C LEU A 13 -7.899 -1.208 -24.905 1.00 50.15 C ATOM 189 O LEU A 13 -7.254 -1.583 -25.885 1.00 5.44 O ATOM 190 CB LEU A 13 -6.029 -0.431 -23.437 1.00 11.11 C ATOM 191 CG LEU A 13 -6.166 0.941 -22.775 1.00 63.22 C ATOM 192 CD1 LEU A 13 -5.048 1.161 -21.768 1.00 42.30 C ATOM 193 CD2 LEU A 13 -6.165 2.042 -23.825 1.00 41.04 C ATOM 0 H LEU A 13 -6.303 -3.108 -23.695 1.00 51.21 H new ATOM 0 HA LEU A 13 -8.033 -0.876 -22.799 1.00 13.41 H new ATOM 0 HB2 LEU A 13 -5.269 -0.998 -22.899 1.00 11.11 H new ATOM 0 HB3 LEU A 13 -5.660 -0.287 -24.452 1.00 11.11 H new ATOM 0 HG LEU A 13 -7.117 0.974 -22.244 1.00 63.22 H new ATOM 0 HD11 LEU A 13 -5.161 2.142 -21.307 1.00 42.30 H new ATOM 0 HD12 LEU A 13 -5.095 0.391 -20.998 1.00 42.30 H new ATOM 0 HD13 LEU A 13 -4.085 1.108 -22.276 1.00 42.30 H new ATOM 0 HD21 LEU A 13 -6.263 3.011 -23.336 1.00 41.04 H new ATOM 0 HD22 LEU A 13 -5.230 2.011 -24.384 1.00 41.04 H new ATOM 0 HD23 LEU A 13 -7.001 1.894 -24.508 1.00 41.04 H new ATOM 205 N LYS A 14 -9.134 -0.726 -24.996 1.00 31.33 N ATOM 206 CA LYS A 14 -9.817 -0.606 -26.278 1.00 72.23 C ATOM 207 C LYS A 14 -9.887 0.851 -26.723 1.00 41.13 C ATOM 208 O LYS A 14 -10.457 1.694 -26.031 1.00 20.43 O ATOM 209 CB LYS A 14 -11.229 -1.190 -26.184 1.00 43.03 C ATOM 210 CG LYS A 14 -11.901 -1.376 -27.534 1.00 11.15 C ATOM 211 CD LYS A 14 -13.356 -1.786 -27.380 1.00 11.13 C ATOM 212 CE LYS A 14 -14.262 -0.983 -28.301 1.00 2.24 C ATOM 213 NZ LYS A 14 -14.201 -1.474 -29.705 1.00 32.30 N ATOM 0 H LYS A 14 -9.683 -0.412 -24.196 1.00 31.33 H new ATOM 0 HA LYS A 14 -9.247 -1.167 -27.019 1.00 72.23 H new ATOM 0 HB2 LYS A 14 -11.182 -2.153 -25.675 1.00 43.03 H new ATOM 0 HB3 LYS A 14 -11.844 -0.534 -25.568 1.00 43.03 H new ATOM 0 HG2 LYS A 14 -11.842 -0.448 -28.102 1.00 11.15 H new ATOM 0 HG3 LYS A 14 -11.367 -2.135 -28.106 1.00 11.15 H new ATOM 0 HD2 LYS A 14 -13.461 -2.848 -27.600 1.00 11.13 H new ATOM 0 HD3 LYS A 14 -13.668 -1.643 -26.345 1.00 11.13 H new ATOM 0 HE2 LYS A 14 -15.289 -1.040 -27.941 1.00 2.24 H new ATOM 0 HE3 LYS A 14 -13.972 0.067 -28.271 1.00 2.24 H new ATOM 0 HZ1 LYS A 14 -14.832 -0.901 -30.301 1.00 32.30 H new ATOM 0 HZ2 LYS A 14 -13.226 -1.396 -30.058 1.00 32.30 H new ATOM 0 HZ3 LYS A 14 -14.502 -2.469 -29.738 1.00 32.30 H new ATOM 227 N GLN A 15 -9.305 1.140 -27.883 1.00 22.42 N ATOM 228 CA GLN A 15 -9.303 2.495 -28.419 1.00 45.43 C ATOM 229 C GLN A 15 -10.666 2.853 -29.001 1.00 71.13 C ATOM 230 O GLN A 15 -11.586 2.035 -28.999 1.00 55.24 O ATOM 231 CB GLN A 15 -8.223 2.640 -29.493 1.00 62.32 C ATOM 232 CG GLN A 15 -7.095 3.580 -29.100 1.00 11.14 C ATOM 233 CD GLN A 15 -6.697 4.516 -30.223 1.00 41.45 C ATOM 234 OE1 GLN A 15 -7.533 5.232 -30.776 1.00 63.15 O ATOM 235 NE2 GLN A 15 -5.414 4.517 -30.568 1.00 34.24 N ATOM 0 H GLN A 15 -8.829 0.454 -28.469 1.00 22.42 H new ATOM 0 HA GLN A 15 -9.086 3.181 -27.600 1.00 45.43 H new ATOM 0 HB2 GLN A 15 -7.806 1.657 -29.712 1.00 62.32 H new ATOM 0 HB3 GLN A 15 -8.683 3.003 -30.412 1.00 62.32 H new ATOM 0 HG2 GLN A 15 -7.402 4.167 -28.234 1.00 11.14 H new ATOM 0 HG3 GLN A 15 -6.228 2.994 -28.796 1.00 11.14 H new ATOM 0 HE21 GLN A 15 -4.755 3.908 -30.083 1.00 34.24 H new ATOM 0 HE22 GLN A 15 -5.088 5.127 -31.318 1.00 34.24 H new ATOM 244 N ASP A 16 -10.789 4.079 -29.498 1.00 62.20 N ATOM 245 CA ASP A 16 -12.040 4.545 -30.084 1.00 72.32 C ATOM 246 C ASP A 16 -12.397 3.729 -31.323 1.00 43.11 C ATOM 247 O ASP A 16 -13.433 3.065 -31.364 1.00 44.34 O ATOM 248 CB ASP A 16 -11.938 6.027 -30.446 1.00 42.13 C ATOM 249 CG ASP A 16 -13.297 6.676 -30.618 1.00 50.31 C ATOM 250 OD1 ASP A 16 -14.218 6.001 -31.125 1.00 45.33 O ATOM 251 OD2 ASP A 16 -13.441 7.859 -30.245 1.00 4.14 O ATOM 0 H ASP A 16 -10.037 4.768 -29.507 1.00 62.20 H new ATOM 0 HA ASP A 16 -12.830 4.414 -29.344 1.00 72.32 H new ATOM 0 HB2 ASP A 16 -11.384 6.551 -29.667 1.00 42.13 H new ATOM 0 HB3 ASP A 16 -11.368 6.134 -31.369 1.00 42.13 H new ATOM 256 N ARG A 17 -11.532 3.785 -32.331 1.00 31.10 N ATOM 257 CA ARG A 17 -11.757 3.053 -33.572 1.00 11.51 C ATOM 258 C ARG A 17 -10.892 1.797 -33.627 1.00 13.50 C ATOM 259 O ARG A 17 -11.205 0.847 -34.344 1.00 63.14 O ATOM 260 CB ARG A 17 -11.456 3.946 -34.777 1.00 4.31 C ATOM 261 CG ARG A 17 -11.334 3.183 -36.085 1.00 62.35 C ATOM 262 CD ARG A 17 -11.860 3.997 -37.257 1.00 1.21 C ATOM 263 NE ARG A 17 -11.024 5.163 -37.532 1.00 72.23 N ATOM 264 CZ ARG A 17 -11.080 5.856 -38.664 1.00 64.22 C ATOM 265 NH1 ARG A 17 -11.927 5.503 -39.621 1.00 21.41 N ATOM 266 NH2 ARG A 17 -10.287 6.905 -38.841 1.00 23.03 N ATOM 0 H ARG A 17 -10.670 4.329 -32.313 1.00 31.10 H new ATOM 0 HA ARG A 17 -12.805 2.753 -33.603 1.00 11.51 H new ATOM 0 HB2 ARG A 17 -12.246 4.691 -34.873 1.00 4.31 H new ATOM 0 HB3 ARG A 17 -10.528 4.488 -34.594 1.00 4.31 H new ATOM 0 HG2 ARG A 17 -10.290 2.924 -36.260 1.00 62.35 H new ATOM 0 HG3 ARG A 17 -11.887 2.246 -36.014 1.00 62.35 H new ATOM 0 HD2 ARG A 17 -11.906 3.366 -38.145 1.00 1.21 H new ATOM 0 HD3 ARG A 17 -12.878 4.323 -37.044 1.00 1.21 H new ATOM 0 HE ARG A 17 -10.361 5.461 -36.816 1.00 72.23 H new ATOM 0 HH11 ARG A 17 -12.538 4.697 -39.489 1.00 21.41 H new ATOM 0 HH12 ARG A 17 -11.967 6.037 -40.489 1.00 21.41 H new ATOM 0 HH21 ARG A 17 -9.634 7.180 -38.108 1.00 23.03 H new ATOM 0 HH22 ARG A 17 -10.331 7.436 -39.711 1.00 23.03 H new ATOM 280 N PHE A 18 -9.804 1.801 -32.865 1.00 3.01 N ATOM 281 CA PHE A 18 -8.893 0.663 -32.828 1.00 23.11 C ATOM 282 C PHE A 18 -9.417 -0.424 -31.894 1.00 13.42 C ATOM 283 O PHE A 18 -10.213 -0.169 -30.990 1.00 35.23 O ATOM 284 CB PHE A 18 -7.501 1.111 -32.376 1.00 70.05 C ATOM 285 CG PHE A 18 -6.484 1.115 -33.482 1.00 74.51 C ATOM 286 CD1 PHE A 18 -5.277 0.451 -33.333 1.00 51.23 C ATOM 287 CD2 PHE A 18 -6.736 1.782 -34.670 1.00 60.32 C ATOM 288 CE1 PHE A 18 -4.340 0.452 -34.349 1.00 4.11 C ATOM 289 CE2 PHE A 18 -5.802 1.786 -35.689 1.00 75.34 C ATOM 290 CZ PHE A 18 -4.602 1.121 -35.528 1.00 54.31 C ATOM 0 H PHE A 18 -9.531 2.579 -32.265 1.00 3.01 H new ATOM 0 HA PHE A 18 -8.826 0.251 -33.835 1.00 23.11 H new ATOM 0 HB2 PHE A 18 -7.570 2.113 -31.953 1.00 70.05 H new ATOM 0 HB3 PHE A 18 -7.157 0.452 -31.579 1.00 70.05 H new ATOM 0 HD1 PHE A 18 -5.066 -0.073 -32.413 1.00 51.23 H new ATOM 0 HD2 PHE A 18 -7.672 2.304 -34.801 1.00 60.32 H new ATOM 0 HE1 PHE A 18 -3.403 -0.070 -34.221 1.00 4.11 H new ATOM 0 HE2 PHE A 18 -6.010 2.309 -36.611 1.00 75.34 H new ATOM 0 HZ PHE A 18 -3.870 1.124 -36.323 1.00 54.31 H new ATOM 300 N PRO A 19 -8.962 -1.665 -32.117 1.00 23.35 N ATOM 301 CA PRO A 19 -9.371 -2.816 -31.306 1.00 73.10 C ATOM 302 C PRO A 19 -8.808 -2.758 -29.890 1.00 41.13 C ATOM 303 O PRO A 19 -8.169 -1.778 -29.506 1.00 55.12 O ATOM 304 CB PRO A 19 -8.788 -4.010 -32.065 1.00 64.32 C ATOM 305 CG PRO A 19 -7.630 -3.451 -32.819 1.00 33.45 C ATOM 306 CD PRO A 19 -8.011 -2.041 -33.176 1.00 72.45 C ATOM 0 HA PRO A 19 -10.453 -2.861 -31.179 1.00 73.10 H new ATOM 0 HB2 PRO A 19 -8.472 -4.798 -31.381 1.00 64.32 H new ATOM 0 HB3 PRO A 19 -9.524 -4.449 -32.738 1.00 64.32 H new ATOM 0 HG2 PRO A 19 -6.724 -3.469 -32.213 1.00 33.45 H new ATOM 0 HG3 PRO A 19 -7.426 -4.039 -33.714 1.00 33.45 H new ATOM 0 HD2 PRO A 19 -7.143 -1.382 -33.189 1.00 72.45 H new ATOM 0 HD3 PRO A 19 -8.468 -1.986 -34.164 1.00 72.45 H new ATOM 314 N TRP A 20 -9.048 -3.812 -29.120 1.00 24.54 N ATOM 315 CA TRP A 20 -8.563 -3.881 -27.746 1.00 10.24 C ATOM 316 C TRP A 20 -7.304 -4.736 -27.654 1.00 40.33 C ATOM 317 O TRP A 20 -7.284 -5.878 -28.113 1.00 42.35 O ATOM 318 CB TRP A 20 -9.647 -4.448 -26.828 1.00 74.32 C ATOM 319 CG TRP A 20 -10.115 -5.813 -27.235 1.00 53.20 C ATOM 320 CD1 TRP A 20 -9.622 -7.011 -26.803 1.00 14.13 C ATOM 321 CD2 TRP A 20 -11.168 -6.119 -28.156 1.00 45.45 C ATOM 322 NE1 TRP A 20 -10.305 -8.043 -27.400 1.00 61.11 N ATOM 323 CE2 TRP A 20 -11.258 -7.522 -28.234 1.00 74.22 C ATOM 324 CE3 TRP A 20 -12.043 -5.344 -28.922 1.00 11.33 C ATOM 325 CZ2 TRP A 20 -12.189 -8.164 -29.047 1.00 42.35 C ATOM 326 CZ3 TRP A 20 -12.966 -5.982 -29.729 1.00 3.14 C ATOM 327 CH2 TRP A 20 -13.033 -7.380 -29.786 1.00 75.30 C ATOM 0 H TRP A 20 -9.575 -4.631 -29.423 1.00 24.54 H new ATOM 0 HA TRP A 20 -8.316 -2.869 -27.424 1.00 10.24 H new ATOM 0 HB2 TRP A 20 -9.263 -4.492 -25.809 1.00 74.32 H new ATOM 0 HB3 TRP A 20 -10.498 -3.767 -26.819 1.00 74.32 H new ATOM 0 HD1 TRP A 20 -8.814 -7.130 -26.096 1.00 14.13 H new ATOM 0 HE1 TRP A 20 -10.130 -9.036 -27.247 1.00 61.11 H new ATOM 0 HE3 TRP A 20 -11.999 -4.266 -28.884 1.00 11.33 H new ATOM 0 HZ2 TRP A 20 -12.243 -9.242 -29.093 1.00 42.35 H new ATOM 0 HZ3 TRP A 20 -13.647 -5.393 -30.326 1.00 3.14 H new ATOM 0 HH2 TRP A 20 -13.766 -7.849 -30.426 1.00 75.30 H new ATOM 338 N TRP A 21 -6.257 -4.177 -27.059 1.00 45.45 N ATOM 339 CA TRP A 21 -4.993 -4.890 -26.908 1.00 50.53 C ATOM 340 C TRP A 21 -4.588 -4.975 -25.441 1.00 11.51 C ATOM 341 O TRP A 21 -4.966 -4.140 -24.619 1.00 14.14 O ATOM 342 CB TRP A 21 -3.893 -4.196 -27.714 1.00 72.54 C ATOM 343 CG TRP A 21 -3.776 -4.706 -29.119 1.00 41.41 C ATOM 344 CD1 TRP A 21 -3.789 -6.011 -29.522 1.00 4.53 C ATOM 345 CD2 TRP A 21 -3.626 -3.919 -30.306 1.00 11.10 C ATOM 346 NE1 TRP A 21 -3.656 -6.082 -30.887 1.00 63.55 N ATOM 347 CE2 TRP A 21 -3.555 -4.813 -31.392 1.00 71.02 C ATOM 348 CE3 TRP A 21 -3.547 -2.547 -30.557 1.00 53.42 C ATOM 349 CZ2 TRP A 21 -3.408 -4.377 -32.706 1.00 61.23 C ATOM 350 CZ3 TRP A 21 -3.401 -2.116 -31.862 1.00 2.40 C ATOM 351 CH2 TRP A 21 -3.333 -3.028 -32.923 1.00 71.12 C ATOM 0 H TRP A 21 -6.258 -3.233 -26.673 1.00 45.45 H new ATOM 0 HA TRP A 21 -5.128 -5.903 -27.288 1.00 50.53 H new ATOM 0 HB2 TRP A 21 -4.092 -3.125 -27.739 1.00 72.54 H new ATOM 0 HB3 TRP A 21 -2.939 -4.331 -27.205 1.00 72.54 H new ATOM 0 HD1 TRP A 21 -3.889 -6.862 -28.864 1.00 4.53 H new ATOM 0 HE1 TRP A 21 -3.636 -6.941 -31.436 1.00 63.55 H new ATOM 0 HE3 TRP A 21 -3.599 -1.836 -29.746 1.00 53.42 H new ATOM 0 HZ2 TRP A 21 -3.355 -5.079 -33.525 1.00 61.23 H new ATOM 0 HZ3 TRP A 21 -3.338 -1.058 -32.067 1.00 2.40 H new ATOM 0 HH2 TRP A 21 -3.219 -2.659 -33.932 1.00 71.12 H new ATOM 362 N PRO A 22 -3.800 -6.006 -25.102 1.00 14.11 N ATOM 363 CA PRO A 22 -3.327 -6.223 -23.732 1.00 24.22 C ATOM 364 C PRO A 22 -2.308 -5.175 -23.298 1.00 24.33 C ATOM 365 O PRO A 22 -1.547 -4.659 -24.115 1.00 40.12 O ATOM 366 CB PRO A 22 -2.676 -7.607 -23.797 1.00 22.21 C ATOM 367 CG PRO A 22 -2.275 -7.771 -25.222 1.00 52.34 C ATOM 368 CD PRO A 22 -3.311 -7.039 -26.030 1.00 51.12 C ATOM 0 HA PRO A 22 -4.136 -6.151 -23.005 1.00 24.22 H new ATOM 0 HB2 PRO A 22 -1.814 -7.670 -23.133 1.00 22.21 H new ATOM 0 HB3 PRO A 22 -3.373 -8.387 -23.490 1.00 22.21 H new ATOM 0 HG2 PRO A 22 -1.281 -7.360 -25.398 1.00 52.34 H new ATOM 0 HG3 PRO A 22 -2.237 -8.825 -25.498 1.00 52.34 H new ATOM 0 HD2 PRO A 22 -2.882 -6.600 -26.930 1.00 51.12 H new ATOM 0 HD3 PRO A 22 -4.113 -7.703 -26.351 1.00 51.12 H new ATOM 376 N GLY A 23 -2.298 -4.866 -22.005 1.00 2.34 N ATOM 377 CA GLY A 23 -1.367 -3.881 -21.485 1.00 15.34 C ATOM 378 C GLY A 23 -1.159 -4.013 -19.989 1.00 13.40 C ATOM 379 O GLY A 23 -2.121 -4.114 -19.227 1.00 74.15 O ATOM 0 H GLY A 23 -2.918 -5.280 -21.308 1.00 2.34 H new ATOM 0 HA2 GLY A 23 -0.408 -3.988 -21.993 1.00 15.34 H new ATOM 0 HA3 GLY A 23 -1.737 -2.881 -21.710 1.00 15.34 H new ATOM 383 N PHE A 24 0.101 -4.013 -19.566 1.00 54.13 N ATOM 384 CA PHE A 24 0.432 -4.136 -18.152 1.00 23.34 C ATOM 385 C PHE A 24 0.326 -2.786 -17.448 1.00 73.43 C ATOM 386 O PHE A 24 0.979 -1.818 -17.837 1.00 13.20 O ATOM 387 CB PHE A 24 1.845 -4.701 -17.985 1.00 35.05 C ATOM 388 CG PHE A 24 1.948 -5.750 -16.915 1.00 32.50 C ATOM 389 CD1 PHE A 24 1.165 -6.892 -16.968 1.00 74.22 C ATOM 390 CD2 PHE A 24 2.828 -5.595 -15.856 1.00 53.10 C ATOM 391 CE1 PHE A 24 1.257 -7.860 -15.986 1.00 24.12 C ATOM 392 CE2 PHE A 24 2.925 -6.560 -14.871 1.00 42.51 C ATOM 393 CZ PHE A 24 2.138 -7.693 -14.935 1.00 42.13 C ATOM 0 H PHE A 24 0.909 -3.929 -20.183 1.00 54.13 H new ATOM 0 HA PHE A 24 -0.283 -4.821 -17.696 1.00 23.34 H new ATOM 0 HB2 PHE A 24 2.172 -5.127 -18.933 1.00 35.05 H new ATOM 0 HB3 PHE A 24 2.529 -3.885 -17.750 1.00 35.05 H new ATOM 0 HD1 PHE A 24 0.474 -7.027 -17.787 1.00 74.22 H new ATOM 0 HD2 PHE A 24 3.445 -4.710 -15.800 1.00 53.10 H new ATOM 0 HE1 PHE A 24 0.641 -8.746 -16.040 1.00 24.12 H new ATOM 0 HE2 PHE A 24 3.616 -6.428 -14.052 1.00 42.51 H new ATOM 0 HZ PHE A 24 2.211 -8.447 -14.165 1.00 42.13 H new ATOM 403 N VAL A 25 -0.503 -2.730 -16.410 1.00 71.35 N ATOM 404 CA VAL A 25 -0.696 -1.500 -15.652 1.00 21.43 C ATOM 405 C VAL A 25 0.480 -1.242 -14.716 1.00 52.32 C ATOM 406 O VAL A 25 0.749 -2.029 -13.810 1.00 24.13 O ATOM 407 CB VAL A 25 -1.995 -1.549 -14.825 1.00 4.30 C ATOM 408 CG1 VAL A 25 -2.149 -0.281 -13.999 1.00 32.14 C ATOM 409 CG2 VAL A 25 -3.197 -1.752 -15.734 1.00 71.31 C ATOM 0 H VAL A 25 -1.051 -3.522 -16.075 1.00 71.35 H new ATOM 0 HA VAL A 25 -0.765 -0.688 -16.376 1.00 21.43 H new ATOM 0 HB VAL A 25 -1.939 -2.396 -14.141 1.00 4.30 H new ATOM 0 HG11 VAL A 25 -3.072 -0.333 -13.421 1.00 32.14 H new ATOM 0 HG12 VAL A 25 -1.301 -0.183 -13.321 1.00 32.14 H new ATOM 0 HG13 VAL A 25 -2.184 0.583 -14.662 1.00 32.14 H new ATOM 0 HG21 VAL A 25 -4.106 -1.784 -15.133 1.00 71.31 H new ATOM 0 HG22 VAL A 25 -3.260 -0.927 -16.444 1.00 71.31 H new ATOM 0 HG23 VAL A 25 -3.088 -2.690 -16.278 1.00 71.31 H new ATOM 419 N MET A 26 1.176 -0.133 -14.943 1.00 1.34 N ATOM 420 CA MET A 26 2.323 0.231 -14.118 1.00 72.02 C ATOM 421 C MET A 26 2.281 1.711 -13.751 1.00 71.10 C ATOM 422 O MET A 26 1.903 2.552 -14.567 1.00 4.00 O ATOM 423 CB MET A 26 3.627 -0.088 -14.852 1.00 11.22 C ATOM 424 CG MET A 26 3.757 -1.548 -15.253 1.00 24.23 C ATOM 425 SD MET A 26 5.433 -1.983 -15.757 1.00 22.14 S ATOM 426 CE MET A 26 6.295 -1.883 -14.189 1.00 75.53 C ATOM 0 H MET A 26 0.966 0.529 -15.690 1.00 1.34 H new ATOM 0 HA MET A 26 2.279 -0.354 -13.199 1.00 72.02 H new ATOM 0 HB2 MET A 26 3.693 0.533 -15.745 1.00 11.22 H new ATOM 0 HB3 MET A 26 4.469 0.181 -14.214 1.00 11.22 H new ATOM 0 HG2 MET A 26 3.458 -2.179 -14.416 1.00 24.23 H new ATOM 0 HG3 MET A 26 3.069 -1.759 -16.072 1.00 24.23 H new ATOM 0 HE1 MET A 26 7.207 -2.478 -14.236 1.00 75.53 H new ATOM 0 HE2 MET A 26 6.550 -0.844 -13.980 1.00 75.53 H new ATOM 0 HE3 MET A 26 5.653 -2.266 -13.396 1.00 75.53 H new ATOM 436 N ASP A 27 2.670 2.021 -12.520 1.00 2.45 N ATOM 437 CA ASP A 27 2.678 3.400 -12.045 1.00 12.31 C ATOM 438 C ASP A 27 3.946 4.122 -12.491 1.00 74.22 C ATOM 439 O ASP A 27 5.020 3.531 -12.600 1.00 21.43 O ATOM 440 CB ASP A 27 2.565 3.438 -10.520 1.00 74.10 C ATOM 441 CG ASP A 27 3.805 2.900 -9.834 1.00 41.30 C ATOM 442 OD1 ASP A 27 4.224 3.491 -8.817 1.00 3.53 O ATOM 443 OD2 ASP A 27 4.356 1.888 -10.314 1.00 23.11 O ATOM 0 H ASP A 27 2.984 1.336 -11.832 1.00 2.45 H new ATOM 0 HA ASP A 27 1.819 3.912 -12.478 1.00 12.31 H new ATOM 0 HB2 ASP A 27 2.391 4.464 -10.197 1.00 74.10 H new ATOM 0 HB3 ASP A 27 1.699 2.855 -10.208 1.00 74.10 H new ATOM 448 N PRO A 28 3.820 5.430 -12.758 1.00 14.34 N ATOM 449 CA PRO A 28 4.945 6.261 -13.197 1.00 71.41 C ATOM 450 C PRO A 28 5.968 6.485 -12.089 1.00 33.34 C ATOM 451 O PRO A 28 7.174 6.482 -12.334 1.00 61.41 O ATOM 452 CB PRO A 28 4.279 7.583 -13.586 1.00 44.00 C ATOM 453 CG PRO A 28 3.026 7.627 -12.783 1.00 34.33 C ATOM 454 CD PRO A 28 2.569 6.200 -12.650 1.00 0.22 C ATOM 0 HA PRO A 28 5.504 5.795 -14.008 1.00 71.41 H new ATOM 0 HB2 PRO A 28 4.924 8.432 -13.360 1.00 44.00 H new ATOM 0 HB3 PRO A 28 4.066 7.620 -14.654 1.00 44.00 H new ATOM 0 HG2 PRO A 28 3.205 8.072 -11.804 1.00 34.33 H new ATOM 0 HG3 PRO A 28 2.268 8.235 -13.276 1.00 34.33 H new ATOM 0 HD2 PRO A 28 2.070 6.025 -11.697 1.00 0.22 H new ATOM 0 HD3 PRO A 28 1.862 5.930 -13.434 1.00 0.22 H new ATOM 462 N ASP A 29 5.478 6.678 -10.869 1.00 2.41 N ATOM 463 CA ASP A 29 6.350 6.903 -9.722 1.00 23.42 C ATOM 464 C ASP A 29 5.536 7.051 -8.441 1.00 14.43 C ATOM 465 O ASP A 29 5.777 7.956 -7.643 1.00 13.53 O ATOM 466 CB ASP A 29 7.209 8.149 -9.943 1.00 13.14 C ATOM 467 CG ASP A 29 8.613 7.990 -9.394 1.00 31.35 C ATOM 468 OD1 ASP A 29 9.025 8.828 -8.564 1.00 35.32 O ATOM 469 OD2 ASP A 29 9.300 7.027 -9.793 1.00 32.42 O ATOM 0 H ASP A 29 4.482 6.683 -10.649 1.00 2.41 H new ATOM 0 HA ASP A 29 7.002 6.036 -9.618 1.00 23.42 H new ATOM 0 HB2 ASP A 29 7.262 8.366 -11.010 1.00 13.14 H new ATOM 0 HB3 ASP A 29 6.731 9.005 -9.467 1.00 13.14 H new ATOM 474 N GLU A 30 4.570 6.157 -8.252 1.00 50.32 N ATOM 475 CA GLU A 30 3.719 6.191 -7.069 1.00 12.33 C ATOM 476 C GLU A 30 2.876 7.463 -7.041 1.00 75.14 C ATOM 477 O GLU A 30 3.119 8.366 -6.241 1.00 23.11 O ATOM 478 CB GLU A 30 4.568 6.102 -5.799 1.00 45.43 C ATOM 479 CG GLU A 30 5.647 5.034 -5.863 1.00 5.53 C ATOM 480 CD GLU A 30 5.795 4.276 -4.558 1.00 74.31 C ATOM 481 OE1 GLU A 30 5.584 3.045 -4.562 1.00 34.35 O ATOM 482 OE2 GLU A 30 6.120 4.912 -3.534 1.00 42.14 O ATOM 0 H GLU A 30 4.358 5.401 -8.903 1.00 50.32 H new ATOM 0 HA GLU A 30 3.049 5.332 -7.111 1.00 12.33 H new ATOM 0 HB2 GLU A 30 5.036 7.069 -5.616 1.00 45.43 H new ATOM 0 HB3 GLU A 30 3.916 5.898 -4.950 1.00 45.43 H new ATOM 0 HG2 GLU A 30 5.411 4.331 -6.662 1.00 5.53 H new ATOM 0 HG3 GLU A 30 6.599 5.499 -6.119 1.00 5.53 H new ATOM 489 N VAL A 31 1.882 7.526 -7.923 1.00 3.44 N ATOM 490 CA VAL A 31 1.002 8.686 -8.000 1.00 40.02 C ATOM 491 C VAL A 31 -0.286 8.452 -7.218 1.00 65.12 C ATOM 492 O VAL A 31 -1.266 9.177 -7.386 1.00 11.34 O ATOM 493 CB VAL A 31 0.648 9.026 -9.460 1.00 64.43 C ATOM 494 CG1 VAL A 31 1.868 9.560 -10.195 1.00 64.31 C ATOM 495 CG2 VAL A 31 0.082 7.804 -10.169 1.00 15.45 C ATOM 0 H VAL A 31 1.667 6.788 -8.593 1.00 3.44 H new ATOM 0 HA VAL A 31 1.544 9.524 -7.560 1.00 40.02 H new ATOM 0 HB VAL A 31 -0.115 9.804 -9.459 1.00 64.43 H new ATOM 0 HG11 VAL A 31 1.599 9.795 -11.225 1.00 64.31 H new ATOM 0 HG12 VAL A 31 2.226 10.462 -9.699 1.00 64.31 H new ATOM 0 HG13 VAL A 31 2.655 8.806 -10.189 1.00 64.31 H new ATOM 0 HG21 VAL A 31 -0.163 8.062 -11.199 1.00 15.45 H new ATOM 0 HG22 VAL A 31 0.822 7.004 -10.161 1.00 15.45 H new ATOM 0 HG23 VAL A 31 -0.819 7.470 -9.655 1.00 15.45 H new ATOM 505 N ARG A 32 -0.275 7.434 -6.363 1.00 53.52 N ATOM 506 CA ARG A 32 -1.443 7.104 -5.555 1.00 61.11 C ATOM 507 C ARG A 32 -1.449 7.905 -4.256 1.00 75.32 C ATOM 508 O ARG A 32 -2.509 8.250 -3.733 1.00 74.43 O ATOM 509 CB ARG A 32 -1.467 5.606 -5.244 1.00 4.44 C ATOM 510 CG ARG A 32 -2.419 5.233 -4.119 1.00 41.13 C ATOM 511 CD ARG A 32 -3.842 5.671 -4.426 1.00 53.54 C ATOM 512 NE ARG A 32 -4.793 4.569 -4.307 1.00 25.14 N ATOM 513 CZ ARG A 32 -6.107 4.738 -4.216 1.00 41.12 C ATOM 514 NH1 ARG A 32 -6.624 5.959 -4.233 1.00 32.25 N ATOM 515 NH2 ARG A 32 -6.907 3.685 -4.110 1.00 21.22 N ATOM 0 H ARG A 32 0.529 6.824 -6.212 1.00 53.52 H new ATOM 0 HA ARG A 32 -2.335 7.364 -6.126 1.00 61.11 H new ATOM 0 HB2 ARG A 32 -1.751 5.061 -6.144 1.00 4.44 H new ATOM 0 HB3 ARG A 32 -0.460 5.282 -4.979 1.00 4.44 H new ATOM 0 HG2 ARG A 32 -2.395 4.155 -3.963 1.00 41.13 H new ATOM 0 HG3 ARG A 32 -2.087 5.697 -3.190 1.00 41.13 H new ATOM 0 HD2 ARG A 32 -4.129 6.472 -3.745 1.00 53.54 H new ATOM 0 HD3 ARG A 32 -3.885 6.080 -5.436 1.00 53.54 H new ATOM 0 HE ARG A 32 -4.428 3.617 -4.293 1.00 25.14 H new ATOM 0 HH11 ARG A 32 -6.012 6.771 -4.316 1.00 32.25 H new ATOM 0 HH12 ARG A 32 -7.634 6.086 -4.163 1.00 32.25 H new ATOM 0 HH21 ARG A 32 -6.513 2.744 -4.098 1.00 21.22 H new ATOM 0 HH22 ARG A 32 -7.916 3.816 -4.040 1.00 21.22 H new ATOM 529 N ASP A 33 -0.260 8.196 -3.741 1.00 52.21 N ATOM 530 CA ASP A 33 -0.129 8.957 -2.504 1.00 25.43 C ATOM 531 C ASP A 33 0.311 10.389 -2.790 1.00 53.14 C ATOM 532 O ASP A 33 -0.070 11.319 -2.079 1.00 55.55 O ATOM 533 CB ASP A 33 0.875 8.280 -1.568 1.00 72.14 C ATOM 534 CG ASP A 33 1.341 9.199 -0.457 1.00 12.05 C ATOM 535 OD1 ASP A 33 0.560 9.429 0.491 1.00 74.44 O ATOM 536 OD2 ASP A 33 2.487 9.688 -0.533 1.00 1.10 O ATOM 0 H ASP A 33 0.627 7.917 -4.161 1.00 52.21 H new ATOM 0 HA ASP A 33 -1.105 8.986 -2.020 1.00 25.43 H new ATOM 0 HB2 ASP A 33 0.419 7.391 -1.133 1.00 72.14 H new ATOM 0 HB3 ASP A 33 1.737 7.946 -2.145 1.00 72.14 H new ATOM 541 N ILE A 34 1.115 10.558 -3.835 1.00 14.23 N ATOM 542 CA ILE A 34 1.605 11.877 -4.215 1.00 4.13 C ATOM 543 C ILE A 34 1.048 12.302 -5.569 1.00 65.53 C ATOM 544 O ILE A 34 1.410 11.742 -6.605 1.00 41.33 O ATOM 545 CB ILE A 34 3.144 11.910 -4.272 1.00 1.34 C ATOM 546 CG1 ILE A 34 3.736 11.384 -2.962 1.00 40.34 C ATOM 547 CG2 ILE A 34 3.633 13.324 -4.550 1.00 63.43 C ATOM 548 CD1 ILE A 34 4.278 9.976 -3.067 1.00 45.12 C ATOM 0 H ILE A 34 1.440 9.798 -4.433 1.00 14.23 H new ATOM 0 HA ILE A 34 1.262 12.574 -3.450 1.00 4.13 H new ATOM 0 HB ILE A 34 3.477 11.264 -5.085 1.00 1.34 H new ATOM 0 HG12 ILE A 34 4.537 12.050 -2.641 1.00 40.34 H new ATOM 0 HG13 ILE A 34 2.969 11.413 -2.188 1.00 40.34 H new ATOM 0 HG21 ILE A 34 4.722 13.332 -4.587 1.00 63.43 H new ATOM 0 HG22 ILE A 34 3.235 13.665 -5.505 1.00 63.43 H new ATOM 0 HG23 ILE A 34 3.293 13.989 -3.757 1.00 63.43 H new ATOM 0 HD11 ILE A 34 4.682 9.669 -2.102 1.00 45.12 H new ATOM 0 HD12 ILE A 34 3.476 9.298 -3.357 1.00 45.12 H new ATOM 0 HD13 ILE A 34 5.068 9.945 -3.817 1.00 45.12 H new ATOM 560 N THR A 35 0.166 13.296 -5.555 1.00 45.32 N ATOM 561 CA THR A 35 -0.440 13.797 -6.782 1.00 14.11 C ATOM 562 C THR A 35 0.226 15.091 -7.236 1.00 73.24 C ATOM 563 O THR A 35 -0.014 16.157 -6.669 1.00 1.34 O ATOM 564 CB THR A 35 -1.950 14.046 -6.601 1.00 43.20 C ATOM 565 OG1 THR A 35 -2.216 14.496 -5.268 1.00 44.50 O ATOM 566 CG2 THR A 35 -2.745 12.780 -6.882 1.00 64.01 C ATOM 0 H THR A 35 -0.145 13.770 -4.707 1.00 45.32 H new ATOM 0 HA THR A 35 -0.294 13.030 -7.543 1.00 14.11 H new ATOM 0 HB THR A 35 -2.257 14.814 -7.311 1.00 43.20 H new ATOM 0 HG1 THR A 35 -3.177 14.654 -5.162 1.00 44.50 H new ATOM 0 HG21 THR A 35 -3.808 12.981 -6.748 1.00 64.01 H new ATOM 0 HG22 THR A 35 -2.563 12.456 -7.907 1.00 64.01 H new ATOM 0 HG23 THR A 35 -2.434 11.995 -6.193 1.00 64.01 H new ATOM 574 N LEU A 36 1.062 14.991 -8.264 1.00 22.35 N ATOM 575 CA LEU A 36 1.763 16.154 -8.796 1.00 1.34 C ATOM 576 C LEU A 36 1.331 16.442 -10.230 1.00 31.42 C ATOM 577 O LEU A 36 0.905 15.551 -10.966 1.00 41.41 O ATOM 578 CB LEU A 36 3.276 15.932 -8.741 1.00 74.15 C ATOM 579 CG LEU A 36 3.790 14.651 -9.399 1.00 35.53 C ATOM 580 CD1 LEU A 36 4.825 14.975 -10.464 1.00 4.33 C ATOM 581 CD2 LEU A 36 4.373 13.712 -8.353 1.00 23.21 C ATOM 0 H LEU A 36 1.271 14.116 -8.745 1.00 22.35 H new ATOM 0 HA LEU A 36 1.506 17.015 -8.179 1.00 1.34 H new ATOM 0 HB2 LEU A 36 3.765 16.782 -9.216 1.00 74.15 H new ATOM 0 HB3 LEU A 36 3.585 15.929 -7.696 1.00 74.15 H new ATOM 0 HG LEU A 36 2.950 14.150 -9.880 1.00 35.53 H new ATOM 0 HD11 LEU A 36 5.179 14.051 -10.921 1.00 4.33 H new ATOM 0 HD12 LEU A 36 4.375 15.608 -11.228 1.00 4.33 H new ATOM 0 HD13 LEU A 36 5.665 15.499 -10.008 1.00 4.33 H new ATOM 0 HD21 LEU A 36 4.734 12.805 -8.839 1.00 23.21 H new ATOM 0 HD22 LEU A 36 5.201 14.205 -7.843 1.00 23.21 H new ATOM 0 HD23 LEU A 36 3.602 13.452 -7.627 1.00 23.21 H new ATOM 593 N PRO A 37 1.444 17.714 -10.639 1.00 11.14 N ATOM 594 CA PRO A 37 1.072 18.148 -11.989 1.00 24.23 C ATOM 595 C PRO A 37 2.029 17.619 -13.051 1.00 63.44 C ATOM 596 O PRO A 37 3.247 17.720 -12.908 1.00 42.21 O ATOM 597 CB PRO A 37 1.156 19.674 -11.906 1.00 53.14 C ATOM 598 CG PRO A 37 2.125 19.942 -10.807 1.00 62.24 C ATOM 599 CD PRO A 37 1.944 18.827 -9.814 1.00 54.44 C ATOM 0 HA PRO A 37 0.090 17.777 -12.281 1.00 24.23 H new ATOM 0 HB2 PRO A 37 1.497 20.103 -12.848 1.00 53.14 H new ATOM 0 HB3 PRO A 37 0.182 20.113 -11.690 1.00 53.14 H new ATOM 0 HG2 PRO A 37 3.147 19.966 -11.185 1.00 62.24 H new ATOM 0 HG3 PRO A 37 1.933 20.911 -10.345 1.00 62.24 H new ATOM 0 HD2 PRO A 37 2.882 18.572 -9.321 1.00 54.44 H new ATOM 0 HD3 PRO A 37 1.235 19.097 -9.031 1.00 54.44 H new ATOM 607 N GLU A 38 1.470 17.054 -14.117 1.00 53.31 N ATOM 608 CA GLU A 38 2.275 16.509 -15.203 1.00 41.15 C ATOM 609 C GLU A 38 1.402 16.155 -16.404 1.00 13.23 C ATOM 610 O GLU A 38 1.512 16.764 -17.467 1.00 3.22 O ATOM 611 CB GLU A 38 3.037 15.270 -14.730 1.00 65.44 C ATOM 612 CG GLU A 38 4.547 15.447 -14.730 1.00 35.34 C ATOM 613 CD GLU A 38 5.272 14.266 -14.114 1.00 1.10 C ATOM 614 OE1 GLU A 38 6.504 14.358 -13.931 1.00 22.32 O ATOM 615 OE2 GLU A 38 4.609 13.251 -13.816 1.00 12.23 O ATOM 0 H GLU A 38 0.463 16.962 -14.251 1.00 53.31 H new ATOM 0 HA GLU A 38 2.990 17.272 -15.509 1.00 41.15 H new ATOM 0 HB2 GLU A 38 2.709 15.015 -13.722 1.00 65.44 H new ATOM 0 HB3 GLU A 38 2.778 14.428 -15.372 1.00 65.44 H new ATOM 0 HG2 GLU A 38 4.893 15.587 -15.754 1.00 35.34 H new ATOM 0 HG3 GLU A 38 4.803 16.353 -14.180 1.00 35.34 H new ATOM 622 N GLY A 39 0.533 15.165 -16.225 1.00 31.45 N ATOM 623 CA GLY A 39 -0.346 14.746 -17.300 1.00 74.53 C ATOM 624 C GLY A 39 -0.350 13.242 -17.494 1.00 12.14 C ATOM 625 O GLY A 39 -1.071 12.721 -18.345 1.00 23.33 O ATOM 0 H GLY A 39 0.422 14.646 -15.354 1.00 31.45 H new ATOM 0 HA2 GLY A 39 -1.360 15.085 -17.088 1.00 74.53 H new ATOM 0 HA3 GLY A 39 -0.036 15.228 -18.227 1.00 74.53 H new ATOM 629 N SER A 40 0.458 12.543 -16.703 1.00 0.31 N ATOM 630 CA SER A 40 0.549 11.091 -16.795 1.00 23.21 C ATOM 631 C SER A 40 0.558 10.458 -15.407 1.00 2.14 C ATOM 632 O SER A 40 1.555 10.526 -14.688 1.00 25.31 O ATOM 633 CB SER A 40 1.810 10.685 -17.561 1.00 1.43 C ATOM 634 OG SER A 40 2.971 11.231 -16.958 1.00 34.03 O ATOM 0 H SER A 40 1.059 12.959 -15.991 1.00 0.31 H new ATOM 0 HA SER A 40 -0.327 10.731 -17.334 1.00 23.21 H new ATOM 0 HB2 SER A 40 1.888 9.598 -17.589 1.00 1.43 H new ATOM 0 HB3 SER A 40 1.738 11.026 -18.594 1.00 1.43 H new ATOM 0 HG SER A 40 2.895 11.166 -15.983 1.00 34.03 H new ATOM 640 N ASP A 41 -0.560 9.844 -15.036 1.00 61.55 N ATOM 641 CA ASP A 41 -0.682 9.197 -13.735 1.00 52.10 C ATOM 642 C ASP A 41 -0.607 7.680 -13.873 1.00 23.33 C ATOM 643 O ASP A 41 -0.208 6.980 -12.941 1.00 55.31 O ATOM 644 CB ASP A 41 -1.998 9.596 -13.065 1.00 50.12 C ATOM 645 CG ASP A 41 -3.107 8.597 -13.328 1.00 35.25 C ATOM 646 OD1 ASP A 41 -3.413 8.346 -14.512 1.00 43.15 O ATOM 647 OD2 ASP A 41 -3.670 8.065 -12.348 1.00 20.20 O ATOM 0 H ASP A 41 -1.395 9.781 -15.618 1.00 61.55 H new ATOM 0 HA ASP A 41 0.149 9.528 -13.113 1.00 52.10 H new ATOM 0 HB2 ASP A 41 -1.842 9.687 -11.990 1.00 50.12 H new ATOM 0 HB3 ASP A 41 -2.304 10.578 -13.427 1.00 50.12 H new ATOM 652 N VAL A 42 -0.993 7.177 -15.041 1.00 30.41 N ATOM 653 CA VAL A 42 -0.969 5.742 -15.301 1.00 13.21 C ATOM 654 C VAL A 42 -0.148 5.423 -16.545 1.00 74.31 C ATOM 655 O VAL A 42 -0.233 6.124 -17.554 1.00 22.45 O ATOM 656 CB VAL A 42 -2.392 5.181 -15.480 1.00 33.41 C ATOM 657 CG1 VAL A 42 -2.345 3.689 -15.776 1.00 3.34 C ATOM 658 CG2 VAL A 42 -3.235 5.461 -14.245 1.00 24.04 C ATOM 0 H VAL A 42 -1.326 7.742 -15.822 1.00 30.41 H new ATOM 0 HA VAL A 42 -0.507 5.270 -14.434 1.00 13.21 H new ATOM 0 HB VAL A 42 -2.856 5.682 -16.330 1.00 33.41 H new ATOM 0 HG11 VAL A 42 -3.360 3.310 -15.899 1.00 3.34 H new ATOM 0 HG12 VAL A 42 -1.780 3.517 -16.692 1.00 3.34 H new ATOM 0 HG13 VAL A 42 -1.862 3.169 -14.949 1.00 3.34 H new ATOM 0 HG21 VAL A 42 -4.237 5.058 -14.389 1.00 24.04 H new ATOM 0 HG22 VAL A 42 -2.776 4.989 -13.376 1.00 24.04 H new ATOM 0 HG23 VAL A 42 -3.297 6.537 -14.083 1.00 24.04 H new ATOM 668 N TRP A 43 0.645 4.360 -16.467 1.00 12.42 N ATOM 669 CA TRP A 43 1.482 3.947 -17.588 1.00 15.32 C ATOM 670 C TRP A 43 1.137 2.529 -18.030 1.00 44.43 C ATOM 671 O TRP A 43 1.431 1.561 -17.329 1.00 1.20 O ATOM 672 CB TRP A 43 2.960 4.031 -17.205 1.00 61.31 C ATOM 673 CG TRP A 43 3.794 4.764 -18.212 1.00 13.54 C ATOM 674 CD1 TRP A 43 3.497 5.956 -18.809 1.00 0.32 C ATOM 675 CD2 TRP A 43 5.059 4.353 -18.739 1.00 44.03 C ATOM 676 NE1 TRP A 43 4.502 6.311 -19.676 1.00 62.51 N ATOM 677 CE2 TRP A 43 5.473 5.344 -19.651 1.00 54.11 C ATOM 678 CE3 TRP A 43 5.885 3.245 -18.529 1.00 52.21 C ATOM 679 CZ2 TRP A 43 6.673 5.258 -20.350 1.00 64.45 C ATOM 680 CZ3 TRP A 43 7.076 3.161 -19.224 1.00 61.32 C ATOM 681 CH2 TRP A 43 7.462 4.162 -20.125 1.00 51.12 C ATOM 0 H TRP A 43 0.726 3.769 -15.640 1.00 12.42 H new ATOM 0 HA TRP A 43 1.292 4.623 -18.421 1.00 15.32 H new ATOM 0 HB2 TRP A 43 3.050 4.528 -16.239 1.00 61.31 H new ATOM 0 HB3 TRP A 43 3.354 3.022 -17.083 1.00 61.31 H new ATOM 0 HD1 TRP A 43 2.603 6.534 -18.626 1.00 0.32 H new ATOM 0 HE1 TRP A 43 4.522 7.157 -20.246 1.00 62.51 H new ATOM 0 HE3 TRP A 43 5.597 2.468 -17.836 1.00 52.21 H new ATOM 0 HZ2 TRP A 43 6.971 6.029 -21.045 1.00 64.45 H new ATOM 0 HZ3 TRP A 43 7.721 2.309 -19.070 1.00 61.32 H new ATOM 0 HH2 TRP A 43 8.400 4.067 -20.652 1.00 51.12 H new ATOM 692 N VAL A 44 0.513 2.414 -19.198 1.00 63.53 N ATOM 693 CA VAL A 44 0.130 1.113 -19.735 1.00 25.02 C ATOM 694 C VAL A 44 1.161 0.607 -20.738 1.00 2.32 C ATOM 695 O VAL A 44 1.382 1.224 -21.781 1.00 3.23 O ATOM 696 CB VAL A 44 -1.249 1.172 -20.418 1.00 23.40 C ATOM 697 CG1 VAL A 44 -1.625 -0.191 -20.979 1.00 60.14 C ATOM 698 CG2 VAL A 44 -2.306 1.666 -19.442 1.00 23.41 C ATOM 0 H VAL A 44 0.262 3.205 -19.790 1.00 63.53 H new ATOM 0 HA VAL A 44 0.080 0.425 -18.891 1.00 25.02 H new ATOM 0 HB VAL A 44 -1.195 1.878 -21.247 1.00 23.40 H new ATOM 0 HG11 VAL A 44 -2.602 -0.130 -21.458 1.00 60.14 H new ATOM 0 HG12 VAL A 44 -0.880 -0.501 -21.712 1.00 60.14 H new ATOM 0 HG13 VAL A 44 -1.662 -0.920 -20.169 1.00 60.14 H new ATOM 0 HG21 VAL A 44 -3.274 1.701 -19.941 1.00 23.41 H new ATOM 0 HG22 VAL A 44 -2.361 0.987 -18.591 1.00 23.41 H new ATOM 0 HG23 VAL A 44 -2.041 2.664 -19.093 1.00 23.41 H new ATOM 708 N CYS A 45 1.789 -0.518 -20.416 1.00 74.41 N ATOM 709 CA CYS A 45 2.797 -1.108 -21.289 1.00 44.03 C ATOM 710 C CYS A 45 2.196 -2.220 -22.142 1.00 35.43 C ATOM 711 O CYS A 45 2.052 -3.356 -21.687 1.00 0.02 O ATOM 712 CB CYS A 45 3.961 -1.656 -20.462 1.00 10.22 C ATOM 713 SG CYS A 45 4.593 -0.501 -19.222 1.00 35.54 S ATOM 0 H CYS A 45 1.618 -1.040 -19.557 1.00 74.41 H new ATOM 0 HA CYS A 45 3.168 -0.327 -21.953 1.00 44.03 H new ATOM 0 HB2 CYS A 45 3.639 -2.569 -19.962 1.00 10.22 H new ATOM 0 HB3 CYS A 45 4.773 -1.931 -21.135 1.00 10.22 H new ATOM 0 HG CYS A 45 4.827 -1.139 -18.114 1.00 35.54 H new ATOM 719 N CYS A 46 1.844 -1.886 -23.378 1.00 61.53 N ATOM 720 CA CYS A 46 1.255 -2.857 -24.294 1.00 51.12 C ATOM 721 C CYS A 46 2.324 -3.780 -24.870 1.00 11.10 C ATOM 722 O CYS A 46 3.519 -3.573 -24.656 1.00 1.13 O ATOM 723 CB CYS A 46 0.520 -2.139 -25.427 1.00 34.11 C ATOM 724 SG CYS A 46 -0.866 -1.117 -24.876 1.00 54.12 S ATOM 0 H CYS A 46 1.956 -0.951 -23.769 1.00 61.53 H new ATOM 0 HA CYS A 46 0.542 -3.462 -23.734 1.00 51.12 H new ATOM 0 HB2 CYS A 46 1.230 -1.511 -25.965 1.00 34.11 H new ATOM 0 HB3 CYS A 46 0.151 -2.882 -26.135 1.00 34.11 H new ATOM 0 HG CYS A 46 -1.423 -0.550 -25.905 1.00 54.12 H new ATOM 730 N LEU A 47 1.887 -4.800 -25.600 1.00 54.33 N ATOM 731 CA LEU A 47 2.806 -5.757 -26.206 1.00 51.43 C ATOM 732 C LEU A 47 3.636 -5.095 -27.302 1.00 23.34 C ATOM 733 O LEU A 47 3.249 -4.081 -27.881 1.00 53.35 O ATOM 734 CB LEU A 47 2.031 -6.943 -26.783 1.00 44.45 C ATOM 735 CG LEU A 47 1.556 -6.794 -28.229 1.00 60.32 C ATOM 736 CD1 LEU A 47 0.903 -8.080 -28.711 1.00 34.21 C ATOM 737 CD2 LEU A 47 0.592 -5.624 -28.356 1.00 52.11 C ATOM 0 H LEU A 47 0.902 -4.986 -25.787 1.00 54.33 H new ATOM 0 HA LEU A 47 3.482 -6.116 -25.430 1.00 51.43 H new ATOM 0 HB2 LEU A 47 2.662 -7.830 -26.718 1.00 44.45 H new ATOM 0 HB3 LEU A 47 1.161 -7.124 -26.152 1.00 44.45 H new ATOM 0 HG LEU A 47 2.424 -6.593 -28.858 1.00 60.32 H new ATOM 0 HD11 LEU A 47 0.571 -7.955 -29.742 1.00 34.21 H new ATOM 0 HD12 LEU A 47 1.624 -8.896 -28.658 1.00 34.21 H new ATOM 0 HD13 LEU A 47 0.045 -8.312 -28.079 1.00 34.21 H new ATOM 0 HD21 LEU A 47 0.264 -5.533 -29.392 1.00 52.11 H new ATOM 0 HD22 LEU A 47 -0.273 -5.794 -27.715 1.00 52.11 H new ATOM 0 HD23 LEU A 47 1.093 -4.705 -28.052 1.00 52.11 H new ATOM 749 N PRO A 48 4.806 -5.683 -27.595 1.00 33.35 N ATOM 750 CA PRO A 48 5.714 -5.170 -28.624 1.00 50.22 C ATOM 751 C PRO A 48 5.157 -5.353 -30.032 1.00 3.01 C ATOM 752 O PRO A 48 5.093 -6.471 -30.543 1.00 54.03 O ATOM 753 CB PRO A 48 6.978 -6.013 -28.435 1.00 14.20 C ATOM 754 CG PRO A 48 6.499 -7.278 -27.810 1.00 1.52 C ATOM 755 CD PRO A 48 5.331 -6.895 -26.943 1.00 60.25 C ATOM 0 HA PRO A 48 5.881 -4.098 -28.522 1.00 50.22 H new ATOM 0 HB2 PRO A 48 7.472 -6.204 -29.387 1.00 14.20 H new ATOM 0 HB3 PRO A 48 7.701 -5.505 -27.797 1.00 14.20 H new ATOM 0 HG2 PRO A 48 6.201 -8.000 -28.570 1.00 1.52 H new ATOM 0 HG3 PRO A 48 7.287 -7.744 -27.219 1.00 1.52 H new ATOM 0 HD2 PRO A 48 4.583 -7.687 -26.904 1.00 60.25 H new ATOM 0 HD3 PRO A 48 5.640 -6.698 -25.917 1.00 60.25 H new ATOM 763 N ARG A 49 4.757 -4.249 -30.653 1.00 50.54 N ATOM 764 CA ARG A 49 4.205 -4.288 -32.002 1.00 61.22 C ATOM 765 C ARG A 49 4.315 -2.923 -32.675 1.00 63.11 C ATOM 766 O ARG A 49 4.516 -2.831 -33.886 1.00 62.32 O ATOM 767 CB ARG A 49 2.742 -4.733 -31.965 1.00 20.54 C ATOM 768 CG ARG A 49 1.805 -3.697 -31.367 1.00 0.24 C ATOM 769 CD ARG A 49 1.130 -2.867 -32.447 1.00 50.32 C ATOM 770 NE ARG A 49 0.322 -3.689 -33.344 1.00 50.31 N ATOM 771 CZ ARG A 49 -0.097 -3.281 -34.537 1.00 30.01 C ATOM 772 NH1 ARG A 49 0.214 -2.069 -34.974 1.00 4.42 N ATOM 773 NH2 ARG A 49 -0.829 -4.087 -35.296 1.00 22.15 N ATOM 0 H ARG A 49 4.805 -3.316 -30.244 1.00 50.54 H new ATOM 0 HA ARG A 49 4.782 -5.008 -32.582 1.00 61.22 H new ATOM 0 HB2 ARG A 49 2.415 -4.963 -32.979 1.00 20.54 H new ATOM 0 HB3 ARG A 49 2.666 -5.655 -31.388 1.00 20.54 H new ATOM 0 HG2 ARG A 49 1.047 -4.196 -30.763 1.00 0.24 H new ATOM 0 HG3 ARG A 49 2.364 -3.042 -30.699 1.00 0.24 H new ATOM 0 HD2 ARG A 49 0.498 -2.110 -31.981 1.00 50.32 H new ATOM 0 HD3 ARG A 49 1.888 -2.338 -33.024 1.00 50.32 H new ATOM 0 HE ARG A 49 0.065 -4.628 -33.038 1.00 50.31 H new ATOM 0 HH11 ARG A 49 0.777 -1.447 -34.394 1.00 4.42 H new ATOM 0 HH12 ARG A 49 -0.109 -1.759 -35.890 1.00 4.42 H new ATOM 0 HH21 ARG A 49 -1.070 -5.021 -34.964 1.00 22.15 H new ATOM 0 HH22 ARG A 49 -1.150 -3.773 -36.212 1.00 22.15 H new ATOM 787 N ASP A 50 4.182 -1.866 -31.882 1.00 0.12 N ATOM 788 CA ASP A 50 4.267 -0.505 -32.400 1.00 61.51 C ATOM 789 C ASP A 50 5.561 0.167 -31.951 1.00 52.04 C ATOM 790 O ASP A 50 5.713 1.383 -32.068 1.00 72.01 O ATOM 791 CB ASP A 50 3.063 0.316 -31.936 1.00 62.02 C ATOM 792 CG ASP A 50 2.352 1.001 -33.087 1.00 34.44 C ATOM 793 OD1 ASP A 50 2.925 1.953 -33.657 1.00 72.40 O ATOM 794 OD2 ASP A 50 1.222 0.584 -33.417 1.00 70.11 O ATOM 0 H ASP A 50 4.015 -1.925 -30.878 1.00 0.12 H new ATOM 0 HA ASP A 50 4.264 -0.556 -33.489 1.00 61.51 H new ATOM 0 HB2 ASP A 50 2.361 -0.336 -31.415 1.00 62.02 H new ATOM 0 HB3 ASP A 50 3.394 1.067 -31.218 1.00 62.02 H new ATOM 799 N SER A 51 6.490 -0.632 -31.437 1.00 72.40 N ATOM 800 CA SER A 51 7.769 -0.114 -30.966 1.00 52.10 C ATOM 801 C SER A 51 7.587 0.703 -29.690 1.00 42.25 C ATOM 802 O SER A 51 7.832 1.910 -29.672 1.00 43.21 O ATOM 803 CB SER A 51 8.424 0.747 -32.048 1.00 14.11 C ATOM 804 OG SER A 51 9.835 0.743 -31.918 1.00 13.31 O ATOM 0 H SER A 51 6.381 -1.641 -31.336 1.00 72.40 H new ATOM 0 HA SER A 51 8.418 -0.962 -30.745 1.00 52.10 H new ATOM 0 HB2 SER A 51 8.145 0.373 -33.033 1.00 14.11 H new ATOM 0 HB3 SER A 51 8.052 1.769 -31.978 1.00 14.11 H new ATOM 0 HG SER A 51 10.230 1.299 -32.622 1.00 13.31 H new ATOM 810 N LEU A 52 7.156 0.037 -28.625 1.00 70.12 N ATOM 811 CA LEU A 52 6.941 0.700 -27.344 1.00 32.24 C ATOM 812 C LEU A 52 5.788 1.695 -27.432 1.00 20.31 C ATOM 813 O LEU A 52 6.002 2.904 -27.521 1.00 42.25 O ATOM 814 CB LEU A 52 8.216 1.418 -26.898 1.00 20.51 C ATOM 815 CG LEU A 52 9.523 0.647 -27.092 1.00 54.32 C ATOM 816 CD1 LEU A 52 10.341 1.260 -28.218 1.00 71.33 C ATOM 817 CD2 LEU A 52 10.325 0.623 -25.799 1.00 51.53 C ATOM 0 H LEU A 52 6.948 -0.962 -28.623 1.00 70.12 H new ATOM 0 HA LEU A 52 6.684 -0.062 -26.608 1.00 32.24 H new ATOM 0 HB2 LEU A 52 8.288 2.359 -27.443 1.00 20.51 H new ATOM 0 HB3 LEU A 52 8.118 1.668 -25.842 1.00 20.51 H new ATOM 0 HG LEU A 52 9.280 -0.380 -27.364 1.00 54.32 H new ATOM 0 HD11 LEU A 52 11.267 0.699 -28.342 1.00 71.33 H new ATOM 0 HD12 LEU A 52 9.768 1.224 -29.145 1.00 71.33 H new ATOM 0 HD13 LEU A 52 10.575 2.297 -27.975 1.00 71.33 H new ATOM 0 HD21 LEU A 52 11.251 0.070 -25.956 1.00 51.53 H new ATOM 0 HD22 LEU A 52 10.558 1.644 -25.496 1.00 51.53 H new ATOM 0 HD23 LEU A 52 9.741 0.137 -25.017 1.00 51.53 H new ATOM 829 N THR A 53 4.563 1.178 -27.404 1.00 64.10 N ATOM 830 CA THR A 53 3.376 2.020 -27.480 1.00 5.22 C ATOM 831 C THR A 53 2.847 2.350 -26.089 1.00 13.10 C ATOM 832 O THR A 53 1.636 2.402 -25.871 1.00 15.11 O ATOM 833 CB THR A 53 2.259 1.344 -28.295 1.00 74.44 C ATOM 834 OG1 THR A 53 2.799 0.263 -29.064 1.00 54.25 O ATOM 835 CG2 THR A 53 1.583 2.344 -29.221 1.00 60.12 C ATOM 0 H THR A 53 4.368 0.180 -27.329 1.00 64.10 H new ATOM 0 HA THR A 53 3.673 2.941 -27.981 1.00 5.22 H new ATOM 0 HB THR A 53 1.515 0.958 -27.599 1.00 74.44 H new ATOM 0 HG1 THR A 53 2.115 -0.428 -29.182 1.00 54.25 H new ATOM 0 HG21 THR A 53 0.797 1.843 -29.786 1.00 60.12 H new ATOM 0 HG22 THR A 53 1.147 3.150 -28.630 1.00 60.12 H new ATOM 0 HG23 THR A 53 2.319 2.757 -29.911 1.00 60.12 H new ATOM 843 N LEU A 54 3.760 2.573 -25.151 1.00 3.23 N ATOM 844 CA LEU A 54 3.385 2.899 -23.779 1.00 53.44 C ATOM 845 C LEU A 54 2.420 4.080 -23.745 1.00 53.23 C ATOM 846 O LEU A 54 2.727 5.161 -24.249 1.00 21.42 O ATOM 847 CB LEU A 54 4.630 3.220 -22.951 1.00 61.21 C ATOM 848 CG LEU A 54 5.778 2.214 -23.048 1.00 33.11 C ATOM 849 CD1 LEU A 54 7.104 2.934 -23.235 1.00 22.24 C ATOM 850 CD2 LEU A 54 5.818 1.330 -21.810 1.00 0.13 C ATOM 0 H LEU A 54 4.766 2.534 -25.315 1.00 3.23 H new ATOM 0 HA LEU A 54 2.885 2.031 -23.349 1.00 53.44 H new ATOM 0 HB2 LEU A 54 5.003 4.197 -23.257 1.00 61.21 H new ATOM 0 HB3 LEU A 54 4.335 3.304 -21.905 1.00 61.21 H new ATOM 0 HG LEU A 54 5.607 1.579 -23.918 1.00 33.11 H new ATOM 0 HD11 LEU A 54 7.909 2.202 -23.302 1.00 22.24 H new ATOM 0 HD12 LEU A 54 7.072 3.523 -24.151 1.00 22.24 H new ATOM 0 HD13 LEU A 54 7.283 3.593 -22.386 1.00 22.24 H new ATOM 0 HD21 LEU A 54 6.641 0.620 -21.896 1.00 0.13 H new ATOM 0 HD22 LEU A 54 5.964 1.949 -20.925 1.00 0.13 H new ATOM 0 HD23 LEU A 54 4.878 0.786 -21.721 1.00 0.13 H new ATOM 862 N SER A 55 1.252 3.867 -23.146 1.00 64.14 N ATOM 863 CA SER A 55 0.241 4.913 -23.048 1.00 4.13 C ATOM 864 C SER A 55 0.316 5.614 -21.695 1.00 13.42 C ATOM 865 O SER A 55 0.111 4.996 -20.651 1.00 30.02 O ATOM 866 CB SER A 55 -1.155 4.323 -23.253 1.00 51.11 C ATOM 867 OG SER A 55 -2.045 5.291 -23.782 1.00 62.25 O ATOM 0 H SER A 55 0.983 2.979 -22.721 1.00 64.14 H new ATOM 0 HA SER A 55 0.435 5.647 -23.830 1.00 4.13 H new ATOM 0 HB2 SER A 55 -1.097 3.470 -23.929 1.00 51.11 H new ATOM 0 HB3 SER A 55 -1.539 3.952 -22.303 1.00 51.11 H new ATOM 0 HG SER A 55 -2.930 4.889 -23.906 1.00 62.25 H new ATOM 873 N ALA A 56 0.610 6.910 -21.722 1.00 43.05 N ATOM 874 CA ALA A 56 0.710 7.697 -20.500 1.00 11.13 C ATOM 875 C ALA A 56 -0.383 8.759 -20.440 1.00 20.25 C ATOM 876 O ALA A 56 -0.502 9.592 -21.337 1.00 72.14 O ATOM 877 CB ALA A 56 2.083 8.344 -20.399 1.00 43.20 C ATOM 0 H ALA A 56 0.783 7.437 -22.578 1.00 43.05 H new ATOM 0 HA ALA A 56 0.574 7.025 -19.653 1.00 11.13 H new ATOM 0 HB1 ALA A 56 2.143 8.929 -19.481 1.00 43.20 H new ATOM 0 HB2 ALA A 56 2.850 7.570 -20.387 1.00 43.20 H new ATOM 0 HB3 ALA A 56 2.241 8.998 -21.257 1.00 43.20 H new ATOM 883 N ALA A 57 -1.179 8.722 -19.376 1.00 51.20 N ATOM 884 CA ALA A 57 -2.261 9.682 -19.199 1.00 15.34 C ATOM 885 C ALA A 57 -2.616 9.844 -17.724 1.00 71.43 C ATOM 886 O ALA A 57 -2.536 8.891 -16.949 1.00 52.54 O ATOM 887 CB ALA A 57 -3.485 9.251 -19.994 1.00 0.13 C ATOM 0 H ALA A 57 -1.095 8.038 -18.624 1.00 51.20 H new ATOM 0 HA ALA A 57 -1.921 10.648 -19.572 1.00 15.34 H new ATOM 0 HB1 ALA A 57 -4.285 9.977 -19.852 1.00 0.13 H new ATOM 0 HB2 ALA A 57 -3.230 9.194 -21.052 1.00 0.13 H new ATOM 0 HB3 ALA A 57 -3.818 8.273 -19.648 1.00 0.13 H new ATOM 893 N ASN A 58 -3.007 11.055 -17.344 1.00 15.42 N ATOM 894 CA ASN A 58 -3.373 11.341 -15.961 1.00 52.42 C ATOM 895 C ASN A 58 -4.848 11.716 -15.855 1.00 73.20 C ATOM 896 O ASN A 58 -5.247 12.821 -16.224 1.00 20.45 O ATOM 897 CB ASN A 58 -2.507 12.474 -15.406 1.00 62.14 C ATOM 898 CG ASN A 58 -3.061 13.047 -14.116 1.00 63.32 C ATOM 899 OD1 ASN A 58 -3.745 12.356 -13.361 1.00 13.30 O ATOM 900 ND2 ASN A 58 -2.766 14.316 -13.858 1.00 34.40 N ATOM 0 H ASN A 58 -3.079 11.854 -17.973 1.00 15.42 H new ATOM 0 HA ASN A 58 -3.202 10.440 -15.373 1.00 52.42 H new ATOM 0 HB2 ASN A 58 -1.497 12.103 -15.231 1.00 62.14 H new ATOM 0 HB3 ASN A 58 -2.431 13.267 -16.150 1.00 62.14 H new ATOM 0 HD21 ASN A 58 -3.110 14.756 -13.005 1.00 34.40 H new ATOM 0 HD22 ASN A 58 -2.195 14.850 -14.513 1.00 34.40 H new ATOM 907 N SER A 59 -5.654 10.788 -15.348 1.00 62.12 N ATOM 908 CA SER A 59 -7.086 11.019 -15.196 1.00 64.22 C ATOM 909 C SER A 59 -7.709 11.456 -16.518 1.00 43.23 C ATOM 910 O SER A 59 -8.670 12.224 -16.539 1.00 2.30 O ATOM 911 CB SER A 59 -7.342 12.079 -14.123 1.00 65.12 C ATOM 912 OG SER A 59 -6.618 11.791 -12.939 1.00 53.01 O ATOM 0 H SER A 59 -5.340 9.869 -15.036 1.00 62.12 H new ATOM 0 HA SER A 59 -7.550 10.082 -14.888 1.00 64.22 H new ATOM 0 HB2 SER A 59 -7.053 13.060 -14.500 1.00 65.12 H new ATOM 0 HB3 SER A 59 -8.408 12.125 -13.899 1.00 65.12 H new ATOM 0 HG SER A 59 -5.667 11.978 -13.084 1.00 53.01 H new ATOM 918 N GLU A 60 -7.153 10.961 -17.620 1.00 32.12 N ATOM 919 CA GLU A 60 -7.654 11.301 -18.946 1.00 43.24 C ATOM 920 C GLU A 60 -8.163 10.059 -19.671 1.00 71.40 C ATOM 921 O GLU A 60 -9.048 10.143 -20.522 1.00 75.43 O ATOM 922 CB GLU A 60 -6.555 11.973 -19.773 1.00 74.13 C ATOM 923 CG GLU A 60 -7.056 13.124 -20.630 1.00 32.40 C ATOM 924 CD GLU A 60 -6.724 12.945 -22.099 1.00 4.44 C ATOM 925 OE1 GLU A 60 -7.586 12.436 -22.844 1.00 35.30 O ATOM 926 OE2 GLU A 60 -5.601 13.315 -22.503 1.00 34.15 O ATOM 0 H GLU A 60 -6.356 10.324 -17.620 1.00 32.12 H new ATOM 0 HA GLU A 60 -8.485 11.996 -18.825 1.00 43.24 H new ATOM 0 HB2 GLU A 60 -5.780 12.342 -19.101 1.00 74.13 H new ATOM 0 HB3 GLU A 60 -6.089 11.227 -20.417 1.00 74.13 H new ATOM 0 HG2 GLU A 60 -8.136 13.215 -20.514 1.00 32.40 H new ATOM 0 HG3 GLU A 60 -6.617 14.056 -20.273 1.00 32.40 H new ATOM 933 N ASP A 61 -7.597 8.907 -19.327 1.00 40.03 N ATOM 934 CA ASP A 61 -7.993 7.646 -19.944 1.00 12.22 C ATOM 935 C ASP A 61 -9.203 7.049 -19.231 1.00 41.54 C ATOM 936 O ASP A 61 -9.094 6.562 -18.107 1.00 13.43 O ATOM 937 CB ASP A 61 -6.830 6.654 -19.918 1.00 62.32 C ATOM 938 CG ASP A 61 -7.146 5.371 -20.662 1.00 55.22 C ATOM 939 OD1 ASP A 61 -6.652 5.206 -21.797 1.00 60.32 O ATOM 940 OD2 ASP A 61 -7.888 4.533 -20.109 1.00 70.31 O ATOM 0 H ASP A 61 -6.863 8.820 -18.624 1.00 40.03 H new ATOM 0 HA ASP A 61 -8.266 7.846 -20.980 1.00 12.22 H new ATOM 0 HB2 ASP A 61 -5.949 7.120 -20.360 1.00 62.32 H new ATOM 0 HB3 ASP A 61 -6.580 6.418 -18.883 1.00 62.32 H new ATOM 945 N GLU A 62 -10.355 7.093 -19.894 1.00 65.32 N ATOM 946 CA GLU A 62 -11.585 6.558 -19.323 1.00 23.34 C ATOM 947 C GLU A 62 -12.484 5.979 -20.411 1.00 40.22 C ATOM 948 O GLU A 62 -13.686 5.810 -20.214 1.00 14.24 O ATOM 949 CB GLU A 62 -12.333 7.649 -18.554 1.00 40.12 C ATOM 950 CG GLU A 62 -11.889 7.788 -17.108 1.00 15.04 C ATOM 951 CD GLU A 62 -13.058 7.911 -16.149 1.00 24.25 C ATOM 952 OE1 GLU A 62 -13.549 6.864 -15.676 1.00 40.31 O ATOM 953 OE2 GLU A 62 -13.480 9.052 -15.871 1.00 14.43 O ATOM 0 H GLU A 62 -10.462 7.493 -20.826 1.00 65.32 H new ATOM 0 HA GLU A 62 -11.317 5.757 -18.634 1.00 23.34 H new ATOM 0 HB2 GLU A 62 -12.190 8.603 -19.062 1.00 40.12 H new ATOM 0 HB3 GLU A 62 -13.401 7.432 -18.578 1.00 40.12 H new ATOM 0 HG2 GLU A 62 -11.287 6.923 -16.832 1.00 15.04 H new ATOM 0 HG3 GLU A 62 -11.250 8.666 -17.011 1.00 15.04 H new ATOM 960 N GLY A 63 -11.891 5.678 -21.563 1.00 21.14 N ATOM 961 CA GLY A 63 -12.652 5.122 -22.666 1.00 52.52 C ATOM 962 C GLY A 63 -13.188 3.737 -22.362 1.00 42.41 C ATOM 963 O GLY A 63 -14.212 3.594 -21.695 1.00 52.44 O ATOM 0 H GLY A 63 -10.897 5.810 -21.751 1.00 21.14 H new ATOM 0 HA2 GLY A 63 -13.484 5.786 -22.901 1.00 52.52 H new ATOM 0 HA3 GLY A 63 -12.020 5.077 -23.553 1.00 52.52 H new ATOM 967 N GLN A 64 -12.494 2.716 -22.853 1.00 73.53 N ATOM 968 CA GLN A 64 -12.908 1.335 -22.632 1.00 14.12 C ATOM 969 C GLN A 64 -11.752 0.499 -22.094 1.00 3.55 C ATOM 970 O GLN A 64 -10.681 0.441 -22.699 1.00 73.24 O ATOM 971 CB GLN A 64 -13.434 0.723 -23.932 1.00 4.23 C ATOM 972 CG GLN A 64 -14.895 1.040 -24.207 1.00 3.44 C ATOM 973 CD GLN A 64 -15.839 0.042 -23.567 1.00 30.03 C ATOM 974 OE1 GLN A 64 -15.531 -1.146 -23.469 1.00 33.35 O ATOM 975 NE2 GLN A 64 -16.997 0.520 -23.127 1.00 12.02 N ATOM 0 H GLN A 64 -11.643 2.818 -23.406 1.00 73.53 H new ATOM 0 HA GLN A 64 -13.707 1.337 -21.890 1.00 14.12 H new ATOM 0 HB2 GLN A 64 -12.830 1.084 -24.764 1.00 4.23 H new ATOM 0 HB3 GLN A 64 -13.307 -0.359 -23.892 1.00 4.23 H new ATOM 0 HG2 GLN A 64 -15.122 2.039 -23.835 1.00 3.44 H new ATOM 0 HG3 GLN A 64 -15.063 1.055 -25.284 1.00 3.44 H new ATOM 0 HE21 GLN A 64 -17.211 1.512 -23.229 1.00 12.02 H new ATOM 0 HE22 GLN A 64 -17.673 -0.105 -22.687 1.00 12.02 H new ATOM 984 N ILE A 65 -11.974 -0.145 -20.953 1.00 13.41 N ATOM 985 CA ILE A 65 -10.951 -0.977 -20.334 1.00 65.30 C ATOM 986 C ILE A 65 -11.569 -2.191 -19.648 1.00 53.41 C ATOM 987 O ILE A 65 -12.659 -2.107 -19.081 1.00 60.33 O ATOM 988 CB ILE A 65 -10.127 -0.184 -19.303 1.00 45.51 C ATOM 989 CG1 ILE A 65 -9.078 -1.087 -18.651 1.00 63.04 C ATOM 990 CG2 ILE A 65 -11.040 0.423 -18.248 1.00 72.25 C ATOM 991 CD1 ILE A 65 -7.759 -0.393 -18.392 1.00 50.43 C ATOM 0 H ILE A 65 -12.854 -0.106 -20.439 1.00 13.41 H new ATOM 0 HA ILE A 65 -10.291 -1.312 -21.135 1.00 65.30 H new ATOM 0 HB ILE A 65 -9.611 0.626 -19.819 1.00 45.51 H new ATOM 0 HG12 ILE A 65 -9.472 -1.465 -17.707 1.00 63.04 H new ATOM 0 HG13 ILE A 65 -8.905 -1.951 -19.293 1.00 63.04 H new ATOM 0 HG21 ILE A 65 -10.442 0.980 -17.527 1.00 72.25 H new ATOM 0 HG22 ILE A 65 -11.752 1.096 -18.726 1.00 72.25 H new ATOM 0 HG23 ILE A 65 -11.581 -0.372 -17.734 1.00 72.25 H new ATOM 0 HD11 ILE A 65 -7.064 -1.093 -17.929 1.00 50.43 H new ATOM 0 HD12 ILE A 65 -7.343 -0.039 -19.335 1.00 50.43 H new ATOM 0 HD13 ILE A 65 -7.918 0.454 -17.725 1.00 50.43 H new ATOM 1003 N ARG A 66 -10.866 -3.317 -19.702 1.00 43.21 N ATOM 1004 CA ARG A 66 -11.345 -4.548 -19.085 1.00 55.43 C ATOM 1005 C ARG A 66 -10.238 -5.219 -18.279 1.00 21.04 C ATOM 1006 O ARG A 66 -9.102 -5.333 -18.740 1.00 1.04 O ATOM 1007 CB ARG A 66 -11.867 -5.509 -20.155 1.00 21.44 C ATOM 1008 CG ARG A 66 -13.153 -5.044 -20.818 1.00 0.24 C ATOM 1009 CD ARG A 66 -14.320 -5.956 -20.472 1.00 2.55 C ATOM 1010 NE ARG A 66 -15.380 -5.891 -21.473 1.00 74.34 N ATOM 1011 CZ ARG A 66 -16.558 -6.490 -21.336 1.00 53.21 C ATOM 1012 NH1 ARG A 66 -16.825 -7.193 -20.244 1.00 60.12 N ATOM 1013 NH2 ARG A 66 -17.473 -6.385 -22.292 1.00 3.00 N ATOM 0 H ARG A 66 -9.962 -3.402 -20.167 1.00 43.21 H new ATOM 0 HA ARG A 66 -12.159 -4.293 -18.407 1.00 55.43 H new ATOM 0 HB2 ARG A 66 -11.101 -5.639 -20.919 1.00 21.44 H new ATOM 0 HB3 ARG A 66 -12.035 -6.486 -19.703 1.00 21.44 H new ATOM 0 HG2 ARG A 66 -13.379 -4.026 -20.501 1.00 0.24 H new ATOM 0 HG3 ARG A 66 -13.018 -5.019 -21.899 1.00 0.24 H new ATOM 0 HD2 ARG A 66 -13.965 -6.983 -20.386 1.00 2.55 H new ATOM 0 HD3 ARG A 66 -14.723 -5.676 -19.499 1.00 2.55 H new ATOM 0 HE ARG A 66 -15.207 -5.356 -22.324 1.00 74.34 H new ATOM 0 HH11 ARG A 66 -16.125 -7.275 -19.506 1.00 60.12 H new ATOM 0 HH12 ARG A 66 -17.730 -7.652 -20.141 1.00 60.12 H new ATOM 0 HH21 ARG A 66 -17.272 -5.844 -23.133 1.00 3.00 H new ATOM 0 HH22 ARG A 66 -18.377 -6.845 -22.186 1.00 3.00 H new ATOM 1027 N TYR A 67 -10.577 -5.661 -17.073 1.00 24.14 N ATOM 1028 CA TYR A 67 -9.611 -6.318 -16.200 1.00 64.44 C ATOM 1029 C TYR A 67 -9.320 -7.737 -16.681 1.00 32.15 C ATOM 1030 O TYR A 67 -10.227 -8.559 -16.810 1.00 74.22 O ATOM 1031 CB TYR A 67 -10.130 -6.351 -14.762 1.00 72.11 C ATOM 1032 CG TYR A 67 -10.398 -4.980 -14.184 1.00 24.05 C ATOM 1033 CD1 TYR A 67 -9.417 -4.303 -13.469 1.00 42.33 C ATOM 1034 CD2 TYR A 67 -11.631 -4.362 -14.350 1.00 62.21 C ATOM 1035 CE1 TYR A 67 -9.657 -3.050 -12.938 1.00 64.11 C ATOM 1036 CE2 TYR A 67 -11.879 -3.109 -13.824 1.00 20.42 C ATOM 1037 CZ TYR A 67 -10.889 -2.457 -13.119 1.00 20.55 C ATOM 1038 OH TYR A 67 -11.133 -1.210 -12.591 1.00 43.15 O ATOM 0 H TYR A 67 -11.513 -5.576 -16.678 1.00 24.14 H new ATOM 0 HA TYR A 67 -8.684 -5.746 -16.230 1.00 64.44 H new ATOM 0 HB2 TYR A 67 -11.049 -6.936 -14.730 1.00 72.11 H new ATOM 0 HB3 TYR A 67 -9.403 -6.865 -14.134 1.00 72.11 H new ATOM 0 HD1 TYR A 67 -8.451 -4.764 -13.326 1.00 42.33 H new ATOM 0 HD2 TYR A 67 -12.409 -4.870 -14.900 1.00 62.21 H new ATOM 0 HE1 TYR A 67 -8.884 -2.538 -12.384 1.00 64.11 H new ATOM 0 HE2 TYR A 67 -12.843 -2.642 -13.964 1.00 20.42 H new ATOM 0 HH TYR A 67 -12.048 -0.936 -12.810 1.00 43.15 H new ATOM 1048 N PHE A 68 -8.048 -8.017 -16.942 1.00 62.14 N ATOM 1049 CA PHE A 68 -7.636 -9.336 -17.409 1.00 5.14 C ATOM 1050 C PHE A 68 -6.918 -10.104 -16.302 1.00 72.13 C ATOM 1051 O PHE A 68 -6.181 -9.523 -15.504 1.00 74.13 O ATOM 1052 CB PHE A 68 -6.722 -9.206 -18.629 1.00 75.25 C ATOM 1053 CG PHE A 68 -6.059 -10.496 -19.022 1.00 15.51 C ATOM 1054 CD1 PHE A 68 -4.795 -10.811 -18.551 1.00 34.33 C ATOM 1055 CD2 PHE A 68 -6.700 -11.392 -19.862 1.00 52.54 C ATOM 1056 CE1 PHE A 68 -4.183 -11.997 -18.910 1.00 25.24 C ATOM 1057 CE2 PHE A 68 -6.093 -12.579 -20.224 1.00 44.03 C ATOM 1058 CZ PHE A 68 -4.832 -12.882 -19.748 1.00 42.44 C ATOM 0 H PHE A 68 -7.284 -7.349 -16.838 1.00 62.14 H new ATOM 0 HA PHE A 68 -8.531 -9.890 -17.692 1.00 5.14 H new ATOM 0 HB2 PHE A 68 -7.305 -8.835 -19.472 1.00 75.25 H new ATOM 0 HB3 PHE A 68 -5.954 -8.461 -18.420 1.00 75.25 H new ATOM 0 HD1 PHE A 68 -4.282 -10.122 -17.896 1.00 34.33 H new ATOM 0 HD2 PHE A 68 -7.685 -11.160 -20.238 1.00 52.54 H new ATOM 0 HE1 PHE A 68 -3.198 -12.231 -18.535 1.00 25.24 H new ATOM 0 HE2 PHE A 68 -6.604 -13.270 -20.879 1.00 44.03 H new ATOM 0 HZ PHE A 68 -4.355 -13.809 -20.031 1.00 42.44 H new ATOM 1068 N LEU A 69 -7.139 -11.413 -16.261 1.00 33.34 N ATOM 1069 CA LEU A 69 -6.515 -12.263 -15.252 1.00 51.12 C ATOM 1070 C LEU A 69 -6.879 -13.728 -15.473 1.00 52.41 C ATOM 1071 O LEU A 69 -6.020 -14.577 -15.710 1.00 34.32 O ATOM 1072 CB LEU A 69 -6.944 -11.825 -13.851 1.00 13.50 C ATOM 1073 CG LEU A 69 -5.845 -11.239 -12.965 1.00 5.14 C ATOM 1074 CD1 LEU A 69 -6.433 -10.262 -11.959 1.00 13.12 C ATOM 1075 CD2 LEU A 69 -5.086 -12.349 -12.252 1.00 34.13 C ATOM 0 H LEU A 69 -7.745 -11.909 -16.914 1.00 33.34 H new ATOM 0 HA LEU A 69 -5.434 -12.159 -15.343 1.00 51.12 H new ATOM 0 HB2 LEU A 69 -7.736 -11.083 -13.951 1.00 13.50 H new ATOM 0 HB3 LEU A 69 -7.375 -12.685 -13.339 1.00 13.50 H new ATOM 0 HG LEU A 69 -5.145 -10.696 -13.600 1.00 5.14 H new ATOM 0 HD11 LEU A 69 -5.635 -9.856 -11.337 1.00 13.12 H new ATOM 0 HD12 LEU A 69 -6.930 -9.449 -12.489 1.00 13.12 H new ATOM 0 HD13 LEU A 69 -7.156 -10.780 -11.329 1.00 13.12 H new ATOM 0 HD21 LEU A 69 -4.307 -11.913 -11.626 1.00 34.13 H new ATOM 0 HD22 LEU A 69 -5.775 -12.920 -11.630 1.00 34.13 H new ATOM 0 HD23 LEU A 69 -4.631 -13.010 -12.989 1.00 34.13 H new ATOM 1087 N PRO A 70 -8.183 -14.031 -15.396 1.00 74.44 N ATOM 1088 CA PRO A 70 -8.692 -15.393 -15.588 1.00 25.13 C ATOM 1089 C PRO A 70 -8.567 -15.860 -17.034 1.00 33.42 C ATOM 1090 O PRO A 70 -8.812 -17.027 -17.342 1.00 40.24 O ATOM 1091 CB PRO A 70 -10.165 -15.282 -15.186 1.00 45.44 C ATOM 1092 CG PRO A 70 -10.512 -13.851 -15.414 1.00 70.14 C ATOM 1093 CD PRO A 70 -9.262 -13.069 -15.118 1.00 15.03 C ATOM 0 HA PRO A 70 -8.132 -16.124 -15.005 1.00 25.13 H new ATOM 0 HB2 PRO A 70 -10.790 -15.942 -15.787 1.00 45.44 H new ATOM 0 HB3 PRO A 70 -10.313 -15.564 -14.144 1.00 45.44 H new ATOM 0 HG2 PRO A 70 -10.840 -13.688 -16.441 1.00 70.14 H new ATOM 0 HG3 PRO A 70 -11.330 -13.540 -14.764 1.00 70.14 H new ATOM 0 HD2 PRO A 70 -9.183 -12.184 -15.749 1.00 15.03 H new ATOM 0 HD3 PRO A 70 -9.238 -12.726 -14.084 1.00 15.03 H new ATOM 1101 N ASP A 71 -8.185 -14.944 -17.916 1.00 54.41 N ATOM 1102 CA ASP A 71 -8.027 -15.263 -19.330 1.00 51.43 C ATOM 1103 C ASP A 71 -9.218 -16.066 -19.843 1.00 15.31 C ATOM 1104 O ASP A 71 -9.071 -16.929 -20.708 1.00 34.21 O ATOM 1105 CB ASP A 71 -6.733 -16.046 -19.557 1.00 1.34 C ATOM 1106 CG ASP A 71 -6.781 -17.433 -18.947 1.00 13.35 C ATOM 1107 OD1 ASP A 71 -7.257 -18.365 -19.628 1.00 53.22 O ATOM 1108 OD2 ASP A 71 -6.342 -17.586 -17.788 1.00 35.33 O ATOM 0 H ASP A 71 -7.979 -13.974 -17.677 1.00 54.41 H new ATOM 0 HA ASP A 71 -7.978 -14.326 -19.884 1.00 51.43 H new ATOM 0 HB2 ASP A 71 -6.545 -16.129 -20.627 1.00 1.34 H new ATOM 0 HB3 ASP A 71 -5.897 -15.493 -19.129 1.00 1.34 H new ATOM 1113 N ARG A 72 -10.398 -15.776 -19.303 1.00 4.34 N ATOM 1114 CA ARG A 72 -11.614 -16.472 -19.704 1.00 22.53 C ATOM 1115 C ARG A 72 -12.775 -15.495 -19.855 1.00 55.14 C ATOM 1116 O ARG A 72 -13.939 -15.869 -19.704 1.00 64.12 O ATOM 1117 CB ARG A 72 -11.971 -17.550 -18.679 1.00 30.53 C ATOM 1118 CG ARG A 72 -12.306 -18.896 -19.301 1.00 50.15 C ATOM 1119 CD ARG A 72 -11.966 -20.044 -18.364 1.00 13.12 C ATOM 1120 NE ARG A 72 -13.162 -20.647 -17.782 1.00 31.33 N ATOM 1121 CZ ARG A 72 -14.038 -21.363 -18.479 1.00 1.33 C ATOM 1122 NH1 ARG A 72 -13.852 -21.563 -19.776 1.00 71.21 N ATOM 1123 NH2 ARG A 72 -15.102 -21.880 -17.878 1.00 0.32 N ATOM 0 H ARG A 72 -10.537 -15.063 -18.587 1.00 4.34 H new ATOM 0 HA ARG A 72 -11.431 -16.944 -20.669 1.00 22.53 H new ATOM 0 HB2 ARG A 72 -11.135 -17.676 -17.991 1.00 30.53 H new ATOM 0 HB3 ARG A 72 -12.822 -17.210 -18.089 1.00 30.53 H new ATOM 0 HG2 ARG A 72 -13.367 -18.929 -19.549 1.00 50.15 H new ATOM 0 HG3 ARG A 72 -11.757 -19.013 -20.235 1.00 50.15 H new ATOM 0 HD2 ARG A 72 -11.406 -20.803 -18.909 1.00 13.12 H new ATOM 0 HD3 ARG A 72 -11.318 -19.681 -17.566 1.00 13.12 H new ATOM 0 HE ARG A 72 -13.334 -20.511 -16.786 1.00 31.33 H new ATOM 0 HH11 ARG A 72 -13.035 -21.167 -20.241 1.00 71.21 H new ATOM 0 HH12 ARG A 72 -14.526 -22.113 -20.309 1.00 71.21 H new ATOM 0 HH21 ARG A 72 -15.248 -21.728 -16.880 1.00 0.32 H new ATOM 0 HH22 ARG A 72 -15.774 -22.429 -18.414 1.00 0.32 H new ATOM 1137 N ASP A 73 -12.452 -14.242 -20.154 1.00 41.44 N ATOM 1138 CA ASP A 73 -13.468 -13.210 -20.327 1.00 71.02 C ATOM 1139 C ASP A 73 -13.832 -13.047 -21.800 1.00 35.44 C ATOM 1140 O ASP A 73 -14.137 -11.946 -22.255 1.00 13.43 O ATOM 1141 CB ASP A 73 -12.974 -11.878 -19.761 1.00 52.20 C ATOM 1142 CG ASP A 73 -14.108 -10.909 -19.487 1.00 61.24 C ATOM 1143 OD1 ASP A 73 -14.093 -9.800 -20.062 1.00 21.13 O ATOM 1144 OD2 ASP A 73 -15.011 -11.260 -18.700 1.00 24.45 O ATOM 0 H ASP A 73 -11.494 -13.916 -20.282 1.00 41.44 H new ATOM 0 HA ASP A 73 -14.360 -13.519 -19.783 1.00 71.02 H new ATOM 0 HB2 ASP A 73 -12.425 -12.060 -18.837 1.00 52.20 H new ATOM 0 HB3 ASP A 73 -12.275 -11.425 -20.464 1.00 52.20 H new ATOM 1149 N GLU A 74 -13.797 -14.152 -22.538 1.00 73.13 N ATOM 1150 CA GLU A 74 -14.122 -14.130 -23.960 1.00 31.44 C ATOM 1151 C GLU A 74 -13.188 -13.191 -24.717 1.00 11.21 C ATOM 1152 O GLU A 74 -13.624 -12.421 -25.572 1.00 1.34 O ATOM 1153 CB GLU A 74 -15.575 -13.699 -24.167 1.00 14.21 C ATOM 1154 CG GLU A 74 -16.561 -14.427 -23.268 1.00 4.54 C ATOM 1155 CD GLU A 74 -17.857 -14.767 -23.977 1.00 41.52 C ATOM 1156 OE1 GLU A 74 -18.811 -13.967 -23.883 1.00 54.51 O ATOM 1157 OE2 GLU A 74 -17.917 -15.832 -24.626 1.00 11.31 O ATOM 0 H GLU A 74 -13.547 -15.072 -22.176 1.00 73.13 H new ATOM 0 HA GLU A 74 -13.991 -15.138 -24.352 1.00 31.44 H new ATOM 0 HB2 GLU A 74 -15.656 -12.627 -23.987 1.00 14.21 H new ATOM 0 HB3 GLU A 74 -15.851 -13.870 -25.208 1.00 14.21 H new ATOM 0 HG2 GLU A 74 -16.102 -15.344 -22.899 1.00 4.54 H new ATOM 0 HG3 GLU A 74 -16.779 -13.808 -22.398 1.00 4.54 H new ATOM 1164 N GLY A 75 -11.900 -13.261 -24.395 1.00 42.54 N ATOM 1165 CA GLY A 75 -10.924 -12.411 -25.053 1.00 71.12 C ATOM 1166 C GLY A 75 -9.620 -13.132 -25.329 1.00 24.34 C ATOM 1167 O GLY A 75 -9.002 -12.934 -26.374 1.00 43.41 O ATOM 0 H GLY A 75 -11.515 -13.891 -23.691 1.00 42.54 H new ATOM 0 HA2 GLY A 75 -11.339 -12.046 -25.992 1.00 71.12 H new ATOM 0 HA3 GLY A 75 -10.728 -11.538 -24.430 1.00 71.12 H new ATOM 1171 N MET A 76 -9.199 -13.971 -24.387 1.00 43.13 N ATOM 1172 CA MET A 76 -7.958 -14.724 -24.534 1.00 53.41 C ATOM 1173 C MET A 76 -7.929 -15.470 -25.864 1.00 52.43 C ATOM 1174 O MET A 76 -6.862 -15.707 -26.430 1.00 55.52 O ATOM 1175 CB MET A 76 -7.797 -15.712 -23.378 1.00 21.41 C ATOM 1176 CG MET A 76 -6.633 -16.674 -23.558 1.00 53.34 C ATOM 1177 SD MET A 76 -7.148 -18.271 -24.219 1.00 43.52 S ATOM 1178 CE MET A 76 -5.560 -19.002 -24.610 1.00 73.32 C ATOM 0 H MET A 76 -9.698 -14.146 -23.515 1.00 43.13 H new ATOM 0 HA MET A 76 -7.129 -14.017 -24.517 1.00 53.41 H new ATOM 0 HB2 MET A 76 -7.657 -15.155 -22.452 1.00 21.41 H new ATOM 0 HB3 MET A 76 -8.718 -16.285 -23.270 1.00 21.41 H new ATOM 0 HG2 MET A 76 -5.898 -16.228 -24.228 1.00 53.34 H new ATOM 0 HG3 MET A 76 -6.139 -16.825 -22.598 1.00 53.34 H new ATOM 0 HE1 MET A 76 -5.711 -19.997 -25.030 1.00 73.32 H new ATOM 0 HE2 MET A 76 -5.040 -18.377 -25.336 1.00 73.32 H new ATOM 0 HE3 MET A 76 -4.961 -19.078 -23.702 1.00 73.32 H new ATOM 1188 N MET A 77 -9.107 -15.837 -26.357 1.00 74.14 N ATOM 1189 CA MET A 77 -9.216 -16.556 -27.622 1.00 4.41 C ATOM 1190 C MET A 77 -8.663 -15.719 -28.772 1.00 12.05 C ATOM 1191 O MET A 77 -7.973 -16.235 -29.650 1.00 52.00 O ATOM 1192 CB MET A 77 -10.674 -16.925 -27.900 1.00 21.43 C ATOM 1193 CG MET A 77 -11.616 -15.732 -27.890 1.00 62.33 C ATOM 1194 SD MET A 77 -12.035 -15.165 -29.550 1.00 24.12 S ATOM 1195 CE MET A 77 -13.720 -15.755 -29.694 1.00 64.01 C ATOM 0 H MET A 77 -10.000 -15.649 -25.901 1.00 74.14 H new ATOM 0 HA MET A 77 -8.627 -17.470 -27.544 1.00 4.41 H new ATOM 0 HB2 MET A 77 -10.737 -17.419 -28.870 1.00 21.43 H new ATOM 0 HB3 MET A 77 -11.006 -17.646 -27.153 1.00 21.43 H new ATOM 0 HG2 MET A 77 -12.530 -16.000 -27.360 1.00 62.33 H new ATOM 0 HG3 MET A 77 -11.155 -14.914 -27.336 1.00 62.33 H new ATOM 0 HE1 MET A 77 -14.119 -15.481 -30.670 1.00 64.01 H new ATOM 0 HE2 MET A 77 -13.736 -16.840 -29.587 1.00 64.01 H new ATOM 0 HE3 MET A 77 -14.331 -15.304 -28.912 1.00 64.01 H new ATOM 1205 N GLU A 78 -8.972 -14.426 -28.758 1.00 42.04 N ATOM 1206 CA GLU A 78 -8.506 -13.520 -29.802 1.00 12.45 C ATOM 1207 C GLU A 78 -7.162 -12.903 -29.426 1.00 41.21 C ATOM 1208 O GLU A 78 -6.426 -12.423 -30.288 1.00 11.45 O ATOM 1209 CB GLU A 78 -9.536 -12.415 -30.045 1.00 54.22 C ATOM 1210 CG GLU A 78 -10.271 -12.549 -31.368 1.00 54.03 C ATOM 1211 CD GLU A 78 -10.402 -11.227 -32.100 1.00 24.21 C ATOM 1212 OE1 GLU A 78 -9.403 -10.479 -32.155 1.00 62.51 O ATOM 1213 OE2 GLU A 78 -11.501 -10.940 -32.617 1.00 35.41 O ATOM 0 H GLU A 78 -9.542 -13.983 -28.037 1.00 42.04 H new ATOM 0 HA GLU A 78 -8.378 -14.097 -30.718 1.00 12.45 H new ATOM 0 HB2 GLU A 78 -10.263 -12.422 -29.233 1.00 54.22 H new ATOM 0 HB3 GLU A 78 -9.033 -11.448 -30.014 1.00 54.22 H new ATOM 0 HG2 GLU A 78 -9.742 -13.260 -32.002 1.00 54.03 H new ATOM 0 HG3 GLU A 78 -11.264 -12.960 -31.187 1.00 54.03 H new ATOM 1220 N GLU A 79 -6.850 -12.920 -28.134 1.00 3.00 N ATOM 1221 CA GLU A 79 -5.595 -12.361 -27.644 1.00 60.15 C ATOM 1222 C GLU A 79 -4.591 -13.468 -27.335 1.00 3.52 C ATOM 1223 O GLU A 79 -3.635 -13.262 -26.588 1.00 31.34 O ATOM 1224 CB GLU A 79 -5.841 -11.516 -26.393 1.00 12.10 C ATOM 1225 CG GLU A 79 -5.401 -10.069 -26.539 1.00 63.12 C ATOM 1226 CD GLU A 79 -6.571 -9.114 -26.673 1.00 44.23 C ATOM 1227 OE1 GLU A 79 -7.659 -9.564 -27.089 1.00 62.20 O ATOM 1228 OE2 GLU A 79 -6.398 -7.917 -26.363 1.00 54.40 O ATOM 0 H GLU A 79 -7.448 -13.314 -27.408 1.00 3.00 H new ATOM 0 HA GLU A 79 -5.180 -11.725 -28.426 1.00 60.15 H new ATOM 0 HB2 GLU A 79 -6.904 -11.541 -26.151 1.00 12.10 H new ATOM 0 HB3 GLU A 79 -5.312 -11.965 -25.552 1.00 12.10 H new ATOM 0 HG2 GLU A 79 -4.803 -9.786 -25.673 1.00 63.12 H new ATOM 0 HG3 GLU A 79 -4.758 -9.975 -27.414 1.00 63.12 H new ATOM 1235 N GLY A 80 -4.816 -14.643 -27.915 1.00 44.52 N ATOM 1236 CA GLY A 80 -3.923 -15.765 -27.689 1.00 54.51 C ATOM 1237 C GLY A 80 -4.078 -16.848 -28.737 1.00 62.53 C ATOM 1238 O GLY A 80 -3.094 -17.445 -29.174 1.00 65.24 O ATOM 0 H GLY A 80 -5.600 -14.838 -28.537 1.00 44.52 H new ATOM 0 HA2 GLY A 80 -2.892 -15.411 -27.687 1.00 54.51 H new ATOM 0 HA3 GLY A 80 -4.117 -16.187 -26.703 1.00 54.51 H new ATOM 1242 N LYS A 81 -5.317 -17.106 -29.142 1.00 20.14 N ATOM 1243 CA LYS A 81 -5.599 -18.126 -30.145 1.00 5.01 C ATOM 1244 C LYS A 81 -5.769 -17.499 -31.525 1.00 64.21 C ATOM 1245 O LYS A 81 -6.340 -18.110 -32.429 1.00 51.24 O ATOM 1246 CB LYS A 81 -6.860 -18.906 -29.769 1.00 20.44 C ATOM 1247 CG LYS A 81 -6.780 -20.387 -30.098 1.00 30.13 C ATOM 1248 CD LYS A 81 -7.113 -21.246 -28.889 1.00 4.31 C ATOM 1249 CE LYS A 81 -5.855 -21.697 -28.163 1.00 24.12 C ATOM 1250 NZ LYS A 81 -6.073 -22.964 -27.411 1.00 4.34 N ATOM 0 H LYS A 81 -6.143 -16.622 -28.790 1.00 20.14 H new ATOM 0 HA LYS A 81 -4.752 -18.811 -30.178 1.00 5.01 H new ATOM 0 HB2 LYS A 81 -7.044 -18.789 -28.701 1.00 20.44 H new ATOM 0 HB3 LYS A 81 -7.714 -18.472 -30.289 1.00 20.44 H new ATOM 0 HG2 LYS A 81 -7.469 -20.618 -30.910 1.00 30.13 H new ATOM 0 HG3 LYS A 81 -5.778 -20.628 -30.452 1.00 30.13 H new ATOM 0 HD2 LYS A 81 -7.747 -20.683 -28.205 1.00 4.31 H new ATOM 0 HD3 LYS A 81 -7.683 -22.119 -29.207 1.00 4.31 H new ATOM 0 HE2 LYS A 81 -5.050 -21.837 -28.884 1.00 24.12 H new ATOM 0 HE3 LYS A 81 -5.534 -20.916 -27.474 1.00 24.12 H new ATOM 0 HZ1 LYS A 81 -5.193 -23.238 -26.930 1.00 4.34 H new ATOM 0 HZ2 LYS A 81 -6.824 -22.824 -26.705 1.00 4.34 H new ATOM 0 HZ3 LYS A 81 -6.355 -23.716 -28.072 1.00 4.34 H new ATOM 1264 N LEU A 82 -5.268 -16.279 -31.681 1.00 52.41 N ATOM 1265 CA LEU A 82 -5.363 -15.569 -32.952 1.00 74.44 C ATOM 1266 C LEU A 82 -3.995 -15.065 -33.398 1.00 63.03 C ATOM 1267 O LEU A 82 -3.527 -15.392 -34.489 1.00 42.22 O ATOM 1268 CB LEU A 82 -6.338 -14.396 -32.833 1.00 23.23 C ATOM 1269 CG LEU A 82 -7.501 -14.386 -33.825 1.00 42.23 C ATOM 1270 CD1 LEU A 82 -8.603 -15.328 -33.367 1.00 24.35 C ATOM 1271 CD2 LEU A 82 -8.042 -12.974 -33.998 1.00 42.02 C ATOM 0 H LEU A 82 -4.792 -15.760 -30.943 1.00 52.41 H new ATOM 0 HA LEU A 82 -5.735 -16.267 -33.702 1.00 74.44 H new ATOM 0 HB2 LEU A 82 -6.748 -14.392 -31.823 1.00 23.23 H new ATOM 0 HB3 LEU A 82 -5.777 -13.469 -32.953 1.00 23.23 H new ATOM 0 HG LEU A 82 -7.132 -14.734 -34.790 1.00 42.23 H new ATOM 0 HD11 LEU A 82 -9.422 -15.307 -34.086 1.00 24.35 H new ATOM 0 HD12 LEU A 82 -8.209 -16.342 -33.296 1.00 24.35 H new ATOM 0 HD13 LEU A 82 -8.970 -15.012 -32.390 1.00 24.35 H new ATOM 0 HD21 LEU A 82 -8.869 -12.986 -34.708 1.00 42.02 H new ATOM 0 HD22 LEU A 82 -8.394 -12.599 -33.037 1.00 42.02 H new ATOM 0 HD23 LEU A 82 -7.251 -12.325 -34.374 1.00 42.02 H new ATOM 1283 N ASP A 83 -3.357 -14.269 -32.547 1.00 30.31 N ATOM 1284 CA ASP A 83 -2.040 -13.722 -32.851 1.00 60.35 C ATOM 1285 C ASP A 83 -0.999 -14.225 -31.856 1.00 13.24 C ATOM 1286 O ASP A 83 -1.151 -14.056 -30.646 1.00 71.12 O ATOM 1287 CB ASP A 83 -2.083 -12.194 -32.835 1.00 40.54 C ATOM 1288 CG ASP A 83 -3.410 -11.646 -33.324 1.00 21.53 C ATOM 1289 OD1 ASP A 83 -3.616 -11.600 -34.555 1.00 1.23 O ATOM 1290 OD2 ASP A 83 -4.243 -11.266 -32.475 1.00 3.22 O ATOM 0 H ASP A 83 -3.731 -13.988 -31.641 1.00 30.31 H new ATOM 0 HA ASP A 83 -1.755 -14.059 -33.848 1.00 60.35 H new ATOM 0 HB2 ASP A 83 -1.898 -11.839 -31.821 1.00 40.54 H new ATOM 0 HB3 ASP A 83 -1.280 -11.804 -33.460 1.00 40.54 H new ATOM 1295 N ALA A 84 0.057 -14.844 -32.373 1.00 51.40 N ATOM 1296 CA ALA A 84 1.123 -15.370 -31.530 1.00 10.24 C ATOM 1297 C ALA A 84 1.718 -14.275 -30.650 1.00 62.33 C ATOM 1298 O ALA A 84 2.261 -14.552 -29.581 1.00 4.11 O ATOM 1299 CB ALA A 84 2.206 -16.009 -32.386 1.00 22.34 C ATOM 0 H ALA A 84 0.197 -14.993 -33.372 1.00 51.40 H new ATOM 0 HA ALA A 84 0.695 -16.131 -30.878 1.00 10.24 H new ATOM 0 HB1 ALA A 84 2.996 -16.398 -31.743 1.00 22.34 H new ATOM 0 HB2 ALA A 84 1.776 -16.825 -32.967 1.00 22.34 H new ATOM 0 HB3 ALA A 84 2.623 -15.263 -33.062 1.00 22.34 H new ATOM 1305 N SER A 85 1.613 -13.032 -31.108 1.00 52.03 N ATOM 1306 CA SER A 85 2.145 -11.896 -30.365 1.00 0.11 C ATOM 1307 C SER A 85 1.351 -11.666 -29.083 1.00 11.42 C ATOM 1308 O SER A 85 1.919 -11.355 -28.035 1.00 41.31 O ATOM 1309 CB SER A 85 2.116 -10.634 -31.230 1.00 73.51 C ATOM 1310 OG SER A 85 1.977 -10.960 -32.602 1.00 70.22 O ATOM 0 H SER A 85 1.164 -12.786 -31.990 1.00 52.03 H new ATOM 0 HA SER A 85 3.178 -12.120 -30.097 1.00 0.11 H new ATOM 0 HB2 SER A 85 1.289 -9.995 -30.919 1.00 73.51 H new ATOM 0 HB3 SER A 85 3.033 -10.065 -31.079 1.00 73.51 H new ATOM 0 HG SER A 85 1.959 -10.137 -33.134 1.00 70.22 H new ATOM 1316 N CYS A 86 0.035 -11.820 -29.174 1.00 32.21 N ATOM 1317 CA CYS A 86 -0.839 -11.628 -28.022 1.00 32.41 C ATOM 1318 C CYS A 86 -0.685 -12.773 -27.026 1.00 71.41 C ATOM 1319 O CYS A 86 -0.669 -12.558 -25.815 1.00 13.43 O ATOM 1320 CB CYS A 86 -2.296 -11.522 -28.473 1.00 55.33 C ATOM 1321 SG CYS A 86 -2.604 -10.202 -29.670 1.00 43.42 S ATOM 0 H CYS A 86 -0.450 -12.077 -30.033 1.00 32.21 H new ATOM 0 HA CYS A 86 -0.550 -10.700 -27.529 1.00 32.41 H new ATOM 0 HB2 CYS A 86 -2.600 -12.473 -28.911 1.00 55.33 H new ATOM 0 HB3 CYS A 86 -2.925 -11.358 -27.598 1.00 55.33 H new ATOM 0 HG CYS A 86 -3.281 -10.676 -30.673 1.00 43.42 H new ATOM 1327 N ALA A 87 -0.573 -13.992 -27.546 1.00 14.54 N ATOM 1328 CA ALA A 87 -0.420 -15.171 -26.702 1.00 55.53 C ATOM 1329 C ALA A 87 0.907 -15.140 -25.952 1.00 34.22 C ATOM 1330 O ALA A 87 0.970 -15.474 -24.768 1.00 51.14 O ATOM 1331 CB ALA A 87 -0.526 -16.436 -27.540 1.00 74.13 C ATOM 0 H ALA A 87 -0.585 -14.188 -28.547 1.00 14.54 H new ATOM 0 HA ALA A 87 -1.223 -15.168 -25.965 1.00 55.53 H new ATOM 0 HB1 ALA A 87 -0.410 -17.309 -26.898 1.00 74.13 H new ATOM 0 HB2 ALA A 87 -1.501 -16.470 -28.026 1.00 74.13 H new ATOM 0 HB3 ALA A 87 0.257 -16.437 -28.298 1.00 74.13 H new ATOM 1337 N VAL A 88 1.966 -14.739 -26.648 1.00 13.35 N ATOM 1338 CA VAL A 88 3.292 -14.665 -26.046 1.00 40.45 C ATOM 1339 C VAL A 88 3.383 -13.509 -25.056 1.00 35.53 C ATOM 1340 O VAL A 88 3.988 -13.637 -23.992 1.00 11.11 O ATOM 1341 CB VAL A 88 4.385 -14.494 -27.118 1.00 61.21 C ATOM 1342 CG1 VAL A 88 5.742 -14.272 -26.467 1.00 33.32 C ATOM 1343 CG2 VAL A 88 4.419 -15.703 -28.041 1.00 31.00 C ATOM 0 H VAL A 88 1.932 -14.461 -27.629 1.00 13.35 H new ATOM 0 HA VAL A 88 3.453 -15.605 -25.518 1.00 40.45 H new ATOM 0 HB VAL A 88 4.148 -13.615 -27.717 1.00 61.21 H new ATOM 0 HG11 VAL A 88 6.501 -14.153 -27.240 1.00 33.32 H new ATOM 0 HG12 VAL A 88 5.707 -13.373 -25.851 1.00 33.32 H new ATOM 0 HG13 VAL A 88 5.991 -15.130 -25.843 1.00 33.32 H new ATOM 0 HG21 VAL A 88 5.197 -15.565 -28.792 1.00 31.00 H new ATOM 0 HG22 VAL A 88 4.631 -16.600 -27.459 1.00 31.00 H new ATOM 0 HG23 VAL A 88 3.453 -15.811 -28.534 1.00 31.00 H new ATOM 1353 N ALA A 89 2.776 -12.382 -25.412 1.00 71.25 N ATOM 1354 CA ALA A 89 2.786 -11.205 -24.554 1.00 13.54 C ATOM 1355 C ALA A 89 2.072 -11.481 -23.235 1.00 14.11 C ATOM 1356 O ALA A 89 2.568 -11.130 -22.164 1.00 62.11 O ATOM 1357 CB ALA A 89 2.142 -10.025 -25.268 1.00 31.24 C ATOM 0 H ALA A 89 2.271 -12.260 -26.290 1.00 71.25 H new ATOM 0 HA ALA A 89 3.824 -10.958 -24.331 1.00 13.54 H new ATOM 0 HB1 ALA A 89 2.157 -9.153 -24.615 1.00 31.24 H new ATOM 0 HB2 ALA A 89 2.697 -9.805 -26.180 1.00 31.24 H new ATOM 0 HB3 ALA A 89 1.111 -10.272 -25.521 1.00 31.24 H new ATOM 1363 N ILE A 90 0.905 -12.110 -23.320 1.00 75.30 N ATOM 1364 CA ILE A 90 0.123 -12.433 -22.133 1.00 21.52 C ATOM 1365 C ILE A 90 0.809 -13.511 -21.299 1.00 42.45 C ATOM 1366 O ILE A 90 0.944 -13.376 -20.084 1.00 33.32 O ATOM 1367 CB ILE A 90 -1.293 -12.912 -22.504 1.00 11.31 C ATOM 1368 CG1 ILE A 90 -2.057 -11.801 -23.227 1.00 50.41 C ATOM 1369 CG2 ILE A 90 -2.046 -13.355 -21.258 1.00 64.44 C ATOM 1370 CD1 ILE A 90 -3.335 -12.274 -23.884 1.00 24.51 C ATOM 0 H ILE A 90 0.480 -12.406 -24.199 1.00 75.30 H new ATOM 0 HA ILE A 90 0.046 -11.517 -21.548 1.00 21.52 H new ATOM 0 HB ILE A 90 -1.207 -13.766 -23.176 1.00 11.31 H new ATOM 0 HG12 ILE A 90 -2.295 -11.012 -22.514 1.00 50.41 H new ATOM 0 HG13 ILE A 90 -1.410 -11.360 -23.985 1.00 50.41 H new ATOM 0 HG21 ILE A 90 -3.045 -13.691 -21.537 1.00 64.44 H new ATOM 0 HG22 ILE A 90 -1.508 -14.174 -20.780 1.00 64.44 H new ATOM 0 HG23 ILE A 90 -2.125 -12.518 -20.564 1.00 64.44 H new ATOM 0 HD11 ILE A 90 -3.823 -11.433 -24.377 1.00 24.51 H new ATOM 0 HD12 ILE A 90 -3.102 -13.042 -24.622 1.00 24.51 H new ATOM 0 HD13 ILE A 90 -4.002 -12.688 -23.127 1.00 24.51 H new ATOM 1382 N GLU A 91 1.243 -14.578 -21.963 1.00 13.01 N ATOM 1383 CA GLU A 91 1.916 -15.678 -21.283 1.00 2.14 C ATOM 1384 C GLU A 91 3.154 -15.182 -20.541 1.00 23.21 C ATOM 1385 O GLU A 91 3.473 -15.663 -19.454 1.00 72.52 O ATOM 1386 CB GLU A 91 2.310 -16.763 -22.287 1.00 22.23 C ATOM 1387 CG GLU A 91 2.932 -17.991 -21.643 1.00 45.21 C ATOM 1388 CD GLU A 91 4.435 -18.055 -21.840 1.00 54.41 C ATOM 1389 OE1 GLU A 91 5.171 -17.653 -20.915 1.00 2.40 O ATOM 1390 OE2 GLU A 91 4.874 -18.506 -22.918 1.00 54.03 O ATOM 0 H GLU A 91 1.141 -14.704 -22.970 1.00 13.01 H new ATOM 0 HA GLU A 91 1.223 -16.101 -20.556 1.00 2.14 H new ATOM 0 HB2 GLU A 91 1.426 -17.066 -22.848 1.00 22.23 H new ATOM 0 HB3 GLU A 91 3.015 -16.343 -23.005 1.00 22.23 H new ATOM 0 HG2 GLU A 91 2.709 -17.990 -20.576 1.00 45.21 H new ATOM 0 HG3 GLU A 91 2.476 -18.887 -22.063 1.00 45.21 H new ATOM 1397 N GLU A 92 3.848 -14.218 -21.138 1.00 11.34 N ATOM 1398 CA GLU A 92 5.052 -13.658 -20.534 1.00 74.12 C ATOM 1399 C GLU A 92 4.701 -12.771 -19.343 1.00 22.43 C ATOM 1400 O GLU A 92 5.330 -12.854 -18.288 1.00 33.21 O ATOM 1401 CB GLU A 92 5.840 -12.853 -21.569 1.00 4.32 C ATOM 1402 CG GLU A 92 7.151 -12.297 -21.037 1.00 60.23 C ATOM 1403 CD GLU A 92 8.338 -12.671 -21.904 1.00 75.13 C ATOM 1404 OE1 GLU A 92 8.178 -12.710 -23.142 1.00 51.44 O ATOM 1405 OE2 GLU A 92 9.425 -12.925 -21.345 1.00 73.45 O ATOM 0 H GLU A 92 3.598 -13.809 -22.038 1.00 11.34 H new ATOM 0 HA GLU A 92 5.669 -14.484 -20.180 1.00 74.12 H new ATOM 0 HB2 GLU A 92 6.047 -13.488 -22.430 1.00 4.32 H new ATOM 0 HB3 GLU A 92 5.222 -12.028 -21.923 1.00 4.32 H new ATOM 0 HG2 GLU A 92 7.081 -11.211 -20.972 1.00 60.23 H new ATOM 0 HG3 GLU A 92 7.314 -12.667 -20.025 1.00 60.23 H new ATOM 1412 N ALA A 93 3.694 -11.923 -19.520 1.00 72.01 N ATOM 1413 CA ALA A 93 3.258 -11.022 -18.460 1.00 43.14 C ATOM 1414 C ALA A 93 2.848 -11.798 -17.214 1.00 23.34 C ATOM 1415 O ALA A 93 3.146 -11.390 -16.091 1.00 1.42 O ATOM 1416 CB ALA A 93 2.107 -10.153 -18.946 1.00 22.40 C ATOM 0 H ALA A 93 3.164 -11.841 -20.388 1.00 72.01 H new ATOM 0 HA ALA A 93 4.098 -10.379 -18.195 1.00 43.14 H new ATOM 0 HB1 ALA A 93 1.792 -9.485 -18.144 1.00 22.40 H new ATOM 0 HB2 ALA A 93 2.433 -9.563 -19.803 1.00 22.40 H new ATOM 0 HB3 ALA A 93 1.271 -10.788 -19.240 1.00 22.40 H new ATOM 1422 N ILE A 94 2.164 -12.918 -17.418 1.00 74.43 N ATOM 1423 CA ILE A 94 1.714 -13.751 -16.310 1.00 75.41 C ATOM 1424 C ILE A 94 2.853 -14.607 -15.767 1.00 42.31 C ATOM 1425 O ILE A 94 2.903 -14.906 -14.574 1.00 42.24 O ATOM 1426 CB ILE A 94 0.553 -14.671 -16.732 1.00 74.25 C ATOM 1427 CG1 ILE A 94 1.021 -15.663 -17.799 1.00 62.11 C ATOM 1428 CG2 ILE A 94 -0.617 -13.845 -17.247 1.00 32.54 C ATOM 1429 CD1 ILE A 94 -0.070 -16.595 -18.279 1.00 2.32 C ATOM 0 H ILE A 94 1.909 -13.270 -18.341 1.00 74.43 H new ATOM 0 HA ILE A 94 1.366 -13.075 -15.529 1.00 75.41 H new ATOM 0 HB ILE A 94 0.220 -15.234 -15.860 1.00 74.25 H new ATOM 0 HG12 ILE A 94 1.415 -15.109 -18.651 1.00 62.11 H new ATOM 0 HG13 ILE A 94 1.843 -16.256 -17.397 1.00 62.11 H new ATOM 0 HG21 ILE A 94 -1.430 -14.509 -17.541 1.00 32.54 H new ATOM 0 HG22 ILE A 94 -0.963 -13.175 -16.460 1.00 32.54 H new ATOM 0 HG23 ILE A 94 -0.297 -13.259 -18.109 1.00 32.54 H new ATOM 0 HD11 ILE A 94 0.334 -17.270 -19.034 1.00 2.32 H new ATOM 0 HD12 ILE A 94 -0.448 -17.176 -17.438 1.00 2.32 H new ATOM 0 HD13 ILE A 94 -0.883 -16.012 -18.711 1.00 2.32 H new ATOM 1441 N GLN A 95 3.767 -14.995 -16.651 1.00 20.35 N ATOM 1442 CA GLN A 95 4.907 -15.815 -16.259 1.00 23.41 C ATOM 1443 C GLN A 95 5.860 -15.031 -15.363 1.00 13.05 C ATOM 1444 O GLN A 95 6.525 -15.601 -14.497 1.00 4.11 O ATOM 1445 CB GLN A 95 5.651 -16.317 -17.498 1.00 30.11 C ATOM 1446 CG GLN A 95 6.960 -17.021 -17.178 1.00 71.03 C ATOM 1447 CD GLN A 95 8.127 -16.060 -17.065 1.00 71.02 C ATOM 1448 OE1 GLN A 95 8.316 -15.192 -17.918 1.00 21.11 O ATOM 1449 NE2 GLN A 95 8.917 -16.210 -16.009 1.00 3.12 N ATOM 0 H GLN A 95 3.740 -14.755 -17.642 1.00 20.35 H new ATOM 0 HA GLN A 95 4.531 -16.670 -15.698 1.00 23.41 H new ATOM 0 HB2 GLN A 95 5.005 -17.002 -18.047 1.00 30.11 H new ATOM 0 HB3 GLN A 95 5.854 -15.473 -18.157 1.00 30.11 H new ATOM 0 HG2 GLN A 95 6.854 -17.569 -16.242 1.00 71.03 H new ATOM 0 HG3 GLN A 95 7.173 -17.755 -17.955 1.00 71.03 H new ATOM 0 HE21 GLN A 95 8.723 -16.943 -15.327 1.00 3.12 H new ATOM 0 HE22 GLN A 95 9.718 -15.592 -15.880 1.00 3.12 H new ATOM 1458 N LEU A 96 5.920 -13.721 -15.575 1.00 64.13 N ATOM 1459 CA LEU A 96 6.792 -12.857 -14.786 1.00 62.45 C ATOM 1460 C LEU A 96 6.050 -12.291 -13.580 1.00 25.11 C ATOM 1461 O LEU A 96 6.635 -12.097 -12.514 1.00 3.10 O ATOM 1462 CB LEU A 96 7.330 -11.716 -15.651 1.00 53.21 C ATOM 1463 CG LEU A 96 6.280 -10.795 -16.275 1.00 5.44 C ATOM 1464 CD1 LEU A 96 5.906 -9.681 -15.309 1.00 23.02 C ATOM 1465 CD2 LEU A 96 6.790 -10.216 -17.587 1.00 25.45 C ATOM 0 H LEU A 96 5.375 -13.234 -16.286 1.00 64.13 H new ATOM 0 HA LEU A 96 7.628 -13.456 -14.426 1.00 62.45 H new ATOM 0 HB2 LEU A 96 8.000 -11.110 -15.042 1.00 53.21 H new ATOM 0 HB3 LEU A 96 7.930 -12.146 -16.453 1.00 53.21 H new ATOM 0 HG LEU A 96 5.386 -11.383 -16.483 1.00 5.44 H new ATOM 0 HD11 LEU A 96 5.158 -9.036 -15.770 1.00 23.02 H new ATOM 0 HD12 LEU A 96 5.499 -10.113 -14.395 1.00 23.02 H new ATOM 0 HD13 LEU A 96 6.793 -9.095 -15.069 1.00 23.02 H new ATOM 0 HD21 LEU A 96 6.030 -9.563 -18.017 1.00 25.45 H new ATOM 0 HD22 LEU A 96 7.699 -9.643 -17.403 1.00 25.45 H new ATOM 0 HD23 LEU A 96 7.007 -11.027 -18.282 1.00 25.45 H new ATOM 1477 N TYR A 97 4.760 -12.030 -13.755 1.00 31.14 N ATOM 1478 CA TYR A 97 3.938 -11.486 -12.680 1.00 51.13 C ATOM 1479 C TYR A 97 3.785 -12.495 -11.547 1.00 33.43 C ATOM 1480 O TYR A 97 3.884 -12.144 -10.372 1.00 21.54 O ATOM 1481 CB TYR A 97 2.561 -11.089 -13.214 1.00 75.35 C ATOM 1482 CG TYR A 97 1.668 -10.452 -12.174 1.00 0.32 C ATOM 1483 CD1 TYR A 97 2.169 -9.508 -11.285 1.00 54.12 C ATOM 1484 CD2 TYR A 97 0.325 -10.794 -12.078 1.00 52.42 C ATOM 1485 CE1 TYR A 97 1.357 -8.923 -10.332 1.00 62.22 C ATOM 1486 CE2 TYR A 97 -0.494 -10.213 -11.129 1.00 52.04 C ATOM 1487 CZ TYR A 97 0.027 -9.279 -10.259 1.00 15.44 C ATOM 1488 OH TYR A 97 -0.786 -8.699 -9.311 1.00 42.01 O ATOM 0 H TYR A 97 4.260 -12.186 -14.631 1.00 31.14 H new ATOM 0 HA TYR A 97 4.438 -10.600 -12.288 1.00 51.13 H new ATOM 0 HB2 TYR A 97 2.689 -10.395 -14.045 1.00 75.35 H new ATOM 0 HB3 TYR A 97 2.066 -11.975 -13.612 1.00 75.35 H new ATOM 0 HD1 TYR A 97 3.210 -9.227 -11.340 1.00 54.12 H new ATOM 0 HD2 TYR A 97 -0.086 -11.527 -12.757 1.00 52.42 H new ATOM 0 HE1 TYR A 97 1.762 -8.191 -9.648 1.00 62.22 H new ATOM 0 HE2 TYR A 97 -1.536 -10.489 -11.069 1.00 52.04 H new ATOM 0 HH TYR A 97 -1.694 -9.058 -9.395 1.00 42.01 H new ATOM 1498 N GLU A 98 3.543 -13.751 -11.910 1.00 33.10 N ATOM 1499 CA GLU A 98 3.376 -14.812 -10.924 1.00 34.22 C ATOM 1500 C GLU A 98 4.719 -15.209 -10.318 1.00 40.33 C ATOM 1501 O GLU A 98 4.773 -15.906 -9.306 1.00 11.01 O ATOM 1502 CB GLU A 98 2.712 -16.033 -11.564 1.00 32.45 C ATOM 1503 CG GLU A 98 3.635 -16.818 -12.481 1.00 2.34 C ATOM 1504 CD GLU A 98 2.880 -17.726 -13.431 1.00 53.23 C ATOM 1505 OE1 GLU A 98 1.644 -17.578 -13.535 1.00 72.24 O ATOM 1506 OE2 GLU A 98 3.523 -18.584 -14.071 1.00 4.43 O ATOM 0 H GLU A 98 3.458 -14.058 -12.879 1.00 33.10 H new ATOM 0 HA GLU A 98 2.735 -14.434 -10.127 1.00 34.22 H new ATOM 0 HB2 GLU A 98 2.349 -16.693 -10.776 1.00 32.45 H new ATOM 0 HB3 GLU A 98 1.841 -15.706 -12.132 1.00 32.45 H new ATOM 0 HG2 GLU A 98 4.246 -16.123 -13.057 1.00 2.34 H new ATOM 0 HG3 GLU A 98 4.317 -17.417 -11.877 1.00 2.34 H new ATOM 1513 N GLU A 99 5.801 -14.759 -10.947 1.00 33.10 N ATOM 1514 CA GLU A 99 7.144 -15.068 -10.471 1.00 31.31 C ATOM 1515 C GLU A 99 7.634 -14.002 -9.495 1.00 62.14 C ATOM 1516 O GLU A 99 8.454 -14.278 -8.620 1.00 31.10 O ATOM 1517 CB GLU A 99 8.113 -15.181 -11.649 1.00 62.34 C ATOM 1518 CG GLU A 99 8.446 -16.615 -12.028 1.00 51.45 C ATOM 1519 CD GLU A 99 9.550 -17.203 -11.172 1.00 33.55 C ATOM 1520 OE1 GLU A 99 10.577 -17.630 -11.739 1.00 71.43 O ATOM 1521 OE2 GLU A 99 9.387 -17.238 -9.934 1.00 55.21 O ATOM 0 H GLU A 99 5.773 -14.180 -11.786 1.00 33.10 H new ATOM 0 HA GLU A 99 7.106 -16.024 -9.949 1.00 31.31 H new ATOM 0 HB2 GLU A 99 7.681 -14.677 -12.513 1.00 62.34 H new ATOM 0 HB3 GLU A 99 9.036 -14.656 -11.401 1.00 62.34 H new ATOM 0 HG2 GLU A 99 7.551 -17.229 -11.932 1.00 51.45 H new ATOM 0 HG3 GLU A 99 8.746 -16.650 -13.075 1.00 51.45 H new