USER MOD reduce.3.24.130724 H: found=0, std=0, add=817, rem=0, adj=17 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 14 LYS NZ :NH3+ -178:sc= 0.547 (180deg=0) USER MOD Set 1.2: A 64 GLN : amide:sc= 0.452 K(o=1,f=-2.3) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot -53:sc= 1.04 USER MOD Single : A 9 THR OG1 : rot 69:sc= 0.36 USER MOD Single : A 15 GLN : amide:sc= 0.249 K(o=0.25,f=-4.3!) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot -72:sc= 0.355 USER MOD Single : A 45 CYS SG : rot 180:sc= -1.37 USER MOD Single : A 46 CYS SG : rot 88:sc= 1.29 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 130:sc= -0.931 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -1.51 K(o=-1.5,f=-4.1!) USER MOD Single : A 59 SER OG : rot -55:sc= 0.028 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 -140:sc= 0 (180deg=-0.931) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 CYS SG : rot -116:sc= 0.806 USER MOD Single : A 95 GLN : amide:sc= -0.0893 K(o=-0.089,f=-1.7!) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -0.467 K(o=-0.47,f=-4.1!) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.0276 USER MOD Single : A 109 ASN : amide:sc= -0.195 X(o=-0.19,f=-0.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.543 -1.692 -0.298 1.00 5.12 N ATOM 2 CA MET A 1 3.595 -0.749 -1.409 1.00 62.45 C ATOM 3 C MET A 1 2.857 -1.301 -2.625 1.00 22.50 C ATOM 4 O MET A 1 3.411 -2.087 -3.395 1.00 20.35 O ATOM 5 CB MET A 1 5.048 -0.441 -1.777 1.00 52.50 C ATOM 6 CG MET A 1 5.586 0.821 -1.121 1.00 32.54 C ATOM 7 SD MET A 1 7.277 0.626 -0.525 1.00 54.52 S ATOM 8 CE MET A 1 7.495 2.157 0.378 1.00 1.45 C ATOM 0 H1 MET A 1 4.051 -1.295 0.518 1.00 5.12 H new ATOM 0 H2 MET A 1 2.552 -1.866 -0.037 1.00 5.12 H new ATOM 0 H3 MET A 1 3.989 -2.588 -0.582 1.00 5.12 H new ATOM 0 HA MET A 1 3.104 0.172 -1.095 1.00 62.45 H new ATOM 0 HB2 MET A 1 5.674 -1.286 -1.489 1.00 52.50 H new ATOM 0 HB3 MET A 1 5.127 -0.340 -2.859 1.00 52.50 H new ATOM 0 HG2 MET A 1 5.549 1.642 -1.837 1.00 32.54 H new ATOM 0 HG3 MET A 1 4.940 1.096 -0.287 1.00 32.54 H new ATOM 0 HE1 MET A 1 8.496 2.186 0.808 1.00 1.45 H new ATOM 0 HE2 MET A 1 7.366 3.001 -0.300 1.00 1.45 H new ATOM 0 HE3 MET A 1 6.755 2.217 1.177 1.00 1.45 H new ATOM 18 N ILE A 2 1.606 -0.886 -2.791 1.00 42.11 N ATOM 19 CA ILE A 2 0.794 -1.339 -3.914 1.00 10.25 C ATOM 20 C ILE A 2 0.358 -0.166 -4.785 1.00 13.10 C ATOM 21 O ILE A 2 -0.795 0.264 -4.758 1.00 55.51 O ATOM 22 CB ILE A 2 -0.456 -2.100 -3.433 1.00 41.41 C ATOM 23 CG1 ILE A 2 -1.174 -1.306 -2.340 1.00 54.42 C ATOM 24 CG2 ILE A 2 -0.072 -3.482 -2.926 1.00 13.30 C ATOM 25 CD1 ILE A 2 -2.658 -1.591 -2.262 1.00 23.42 C ATOM 0 H ILE A 2 1.132 -0.237 -2.162 1.00 42.11 H new ATOM 0 HA ILE A 2 1.416 -2.013 -4.502 1.00 10.25 H new ATOM 0 HB ILE A 2 -1.137 -2.220 -4.276 1.00 41.41 H new ATOM 0 HG12 ILE A 2 -0.717 -1.534 -1.377 1.00 54.42 H new ATOM 0 HG13 ILE A 2 -1.026 -0.241 -2.519 1.00 54.42 H new ATOM 0 HG21 ILE A 2 -0.966 -4.007 -2.590 1.00 13.30 H new ATOM 0 HG22 ILE A 2 0.400 -4.047 -3.730 1.00 13.30 H new ATOM 0 HG23 ILE A 2 0.626 -3.384 -2.094 1.00 13.30 H new ATOM 0 HD11 ILE A 2 -3.102 -0.994 -1.466 1.00 23.42 H new ATOM 0 HD12 ILE A 2 -3.128 -1.336 -3.212 1.00 23.42 H new ATOM 0 HD13 ILE A 2 -2.815 -2.649 -2.052 1.00 23.42 H new ATOM 37 N PRO A 3 1.300 0.364 -5.579 1.00 21.11 N ATOM 38 CA PRO A 3 1.036 1.493 -6.476 1.00 62.20 C ATOM 39 C PRO A 3 0.132 1.108 -7.642 1.00 34.13 C ATOM 40 O PRO A 3 0.208 -0.007 -8.158 1.00 25.05 O ATOM 41 CB PRO A 3 2.429 1.876 -6.984 1.00 33.55 C ATOM 42 CG PRO A 3 3.231 0.626 -6.866 1.00 64.01 C ATOM 43 CD PRO A 3 2.696 -0.099 -5.662 1.00 55.25 C ATOM 0 HA PRO A 3 0.515 2.304 -5.967 1.00 62.20 H new ATOM 0 HB2 PRO A 3 2.392 2.227 -8.015 1.00 33.55 H new ATOM 0 HB3 PRO A 3 2.860 2.681 -6.389 1.00 33.55 H new ATOM 0 HG2 PRO A 3 3.135 0.015 -7.764 1.00 64.01 H new ATOM 0 HG3 PRO A 3 4.290 0.852 -6.746 1.00 64.01 H new ATOM 0 HD2 PRO A 3 2.754 -1.180 -5.785 1.00 55.25 H new ATOM 0 HD3 PRO A 3 3.256 0.150 -4.761 1.00 55.25 H new ATOM 51 N SER A 4 -0.725 2.038 -8.052 1.00 62.13 N ATOM 52 CA SER A 4 -1.647 1.794 -9.155 1.00 43.25 C ATOM 53 C SER A 4 -2.513 0.569 -8.879 1.00 12.31 C ATOM 54 O SER A 4 -2.900 -0.153 -9.798 1.00 44.54 O ATOM 55 CB SER A 4 -0.873 1.602 -10.461 1.00 73.43 C ATOM 56 OG SER A 4 -1.755 1.386 -11.549 1.00 72.14 O ATOM 0 H SER A 4 -0.800 2.967 -7.637 1.00 62.13 H new ATOM 0 HA SER A 4 -2.298 2.663 -9.251 1.00 43.25 H new ATOM 0 HB2 SER A 4 -0.258 2.481 -10.656 1.00 73.43 H new ATOM 0 HB3 SER A 4 -0.195 0.754 -10.364 1.00 73.43 H new ATOM 0 HG SER A 4 -2.361 0.645 -11.337 1.00 72.14 H new ATOM 62 N PHE A 5 -2.815 0.341 -7.605 1.00 3.20 N ATOM 63 CA PHE A 5 -3.635 -0.797 -7.205 1.00 44.43 C ATOM 64 C PHE A 5 -3.121 -2.086 -7.839 1.00 31.31 C ATOM 65 O PHE A 5 -3.596 -2.504 -8.894 1.00 53.25 O ATOM 66 CB PHE A 5 -5.094 -0.566 -7.603 1.00 41.51 C ATOM 67 CG PHE A 5 -5.986 -0.231 -6.442 1.00 41.30 C ATOM 68 CD1 PHE A 5 -6.358 1.080 -6.193 1.00 2.54 C ATOM 69 CD2 PHE A 5 -6.452 -1.227 -5.600 1.00 31.23 C ATOM 70 CE1 PHE A 5 -7.179 1.392 -5.125 1.00 41.12 C ATOM 71 CE2 PHE A 5 -7.274 -0.922 -4.531 1.00 43.31 C ATOM 72 CZ PHE A 5 -7.637 0.390 -4.293 1.00 25.42 C ATOM 0 H PHE A 5 -2.504 0.929 -6.832 1.00 3.20 H new ATOM 0 HA PHE A 5 -3.573 -0.895 -6.121 1.00 44.43 H new ATOM 0 HB2 PHE A 5 -5.140 0.244 -8.331 1.00 41.51 H new ATOM 0 HB3 PHE A 5 -5.474 -1.461 -8.096 1.00 41.51 H new ATOM 0 HD1 PHE A 5 -6.003 1.868 -6.841 1.00 2.54 H new ATOM 0 HD2 PHE A 5 -6.170 -2.254 -5.781 1.00 31.23 H new ATOM 0 HE1 PHE A 5 -7.462 2.418 -4.942 1.00 41.12 H new ATOM 0 HE2 PHE A 5 -7.632 -1.708 -3.883 1.00 43.31 H new ATOM 0 HZ PHE A 5 -8.278 0.631 -3.458 1.00 25.42 H new ATOM 82 N ALA A 6 -2.147 -2.712 -7.186 1.00 40.04 N ATOM 83 CA ALA A 6 -1.569 -3.954 -7.684 1.00 74.31 C ATOM 84 C ALA A 6 -0.872 -3.738 -9.023 1.00 2.23 C ATOM 85 O ALA A 6 -1.435 -3.982 -10.090 1.00 62.00 O ATOM 86 CB ALA A 6 -2.646 -5.022 -7.814 1.00 43.21 C ATOM 0 H ALA A 6 -1.742 -2.379 -6.311 1.00 40.04 H new ATOM 0 HA ALA A 6 -0.822 -4.291 -6.966 1.00 74.31 H new ATOM 0 HB1 ALA A 6 -2.201 -5.944 -8.187 1.00 43.21 H new ATOM 0 HB2 ALA A 6 -3.096 -5.205 -6.838 1.00 43.21 H new ATOM 0 HB3 ALA A 6 -3.413 -4.682 -8.510 1.00 43.21 H new ATOM 92 N PRO A 7 0.383 -3.268 -8.968 1.00 2.23 N ATOM 93 CA PRO A 7 1.184 -3.008 -10.167 1.00 45.14 C ATOM 94 C PRO A 7 1.592 -4.292 -10.881 1.00 63.05 C ATOM 95 O PRO A 7 2.207 -5.176 -10.287 1.00 33.45 O ATOM 96 CB PRO A 7 2.418 -2.285 -9.620 1.00 60.34 C ATOM 97 CG PRO A 7 2.527 -2.740 -8.206 1.00 1.21 C ATOM 98 CD PRO A 7 1.117 -2.954 -7.730 1.00 31.50 C ATOM 0 HA PRO A 7 0.631 -2.433 -10.910 1.00 45.14 H new ATOM 0 HB2 PRO A 7 3.312 -2.542 -10.189 1.00 60.34 H new ATOM 0 HB3 PRO A 7 2.302 -1.203 -9.680 1.00 60.34 H new ATOM 0 HG2 PRO A 7 3.106 -3.661 -8.136 1.00 1.21 H new ATOM 0 HG3 PRO A 7 3.036 -1.995 -7.595 1.00 1.21 H new ATOM 0 HD2 PRO A 7 1.056 -3.769 -7.009 1.00 31.50 H new ATOM 0 HD3 PRO A 7 0.719 -2.065 -7.241 1.00 31.50 H new ATOM 106 N GLY A 8 1.247 -4.387 -12.162 1.00 34.41 N ATOM 107 CA GLY A 8 1.586 -5.567 -12.936 1.00 34.21 C ATOM 108 C GLY A 8 0.359 -6.314 -13.422 1.00 42.44 C ATOM 109 O GLY A 8 0.435 -7.495 -13.761 1.00 62.23 O ATOM 0 H GLY A 8 0.739 -3.668 -12.677 1.00 34.41 H new ATOM 0 HA2 GLY A 8 2.192 -5.274 -13.793 1.00 34.21 H new ATOM 0 HA3 GLY A 8 2.196 -6.234 -12.327 1.00 34.21 H new ATOM 113 N THR A 9 -0.777 -5.624 -13.456 1.00 42.23 N ATOM 114 CA THR A 9 -2.025 -6.229 -13.902 1.00 35.12 C ATOM 115 C THR A 9 -2.233 -6.023 -15.398 1.00 31.31 C ATOM 116 O THR A 9 -2.069 -4.916 -15.911 1.00 44.15 O ATOM 117 CB THR A 9 -3.234 -5.649 -13.143 1.00 5.53 C ATOM 118 OG1 THR A 9 -2.860 -5.330 -11.798 1.00 21.14 O ATOM 119 CG2 THR A 9 -4.391 -6.635 -13.133 1.00 35.02 C ATOM 0 H THR A 9 -0.858 -4.645 -13.180 1.00 42.23 H new ATOM 0 HA THR A 9 -1.951 -7.296 -13.692 1.00 35.12 H new ATOM 0 HB THR A 9 -3.556 -4.742 -13.655 1.00 5.53 H new ATOM 0 HG1 THR A 9 -2.247 -4.565 -11.802 1.00 21.14 H new ATOM 0 HG21 THR A 9 -5.233 -6.203 -12.591 1.00 35.02 H new ATOM 0 HG22 THR A 9 -4.692 -6.853 -14.158 1.00 35.02 H new ATOM 0 HG23 THR A 9 -4.079 -7.557 -12.643 1.00 35.02 H new ATOM 127 N LEU A 10 -2.596 -7.096 -16.093 1.00 0.30 N ATOM 128 CA LEU A 10 -2.827 -7.032 -17.532 1.00 33.40 C ATOM 129 C LEU A 10 -4.302 -6.791 -17.836 1.00 53.32 C ATOM 130 O LEU A 10 -5.157 -7.616 -17.513 1.00 50.24 O ATOM 131 CB LEU A 10 -2.362 -8.327 -18.201 1.00 35.45 C ATOM 132 CG LEU A 10 -2.207 -8.279 -19.721 1.00 21.51 C ATOM 133 CD1 LEU A 10 -1.325 -9.420 -20.203 1.00 63.35 C ATOM 134 CD2 LEU A 10 -3.569 -8.333 -20.398 1.00 45.53 C ATOM 0 H LEU A 10 -2.737 -8.020 -15.684 1.00 0.30 H new ATOM 0 HA LEU A 10 -2.251 -6.197 -17.931 1.00 33.40 H new ATOM 0 HB2 LEU A 10 -1.404 -8.613 -17.767 1.00 35.45 H new ATOM 0 HB3 LEU A 10 -3.072 -9.116 -17.953 1.00 35.45 H new ATOM 0 HG LEU A 10 -1.727 -7.338 -19.989 1.00 21.51 H new ATOM 0 HD11 LEU A 10 -1.226 -9.370 -21.287 1.00 63.35 H new ATOM 0 HD12 LEU A 10 -0.340 -9.337 -19.744 1.00 63.35 H new ATOM 0 HD13 LEU A 10 -1.776 -10.372 -19.923 1.00 63.35 H new ATOM 0 HD21 LEU A 10 -3.439 -8.298 -21.480 1.00 45.53 H new ATOM 0 HD22 LEU A 10 -4.075 -9.258 -20.123 1.00 45.53 H new ATOM 0 HD23 LEU A 10 -4.169 -7.482 -20.077 1.00 45.53 H new ATOM 146 N VAL A 11 -4.594 -5.655 -18.462 1.00 2.53 N ATOM 147 CA VAL A 11 -5.965 -5.305 -18.813 1.00 71.31 C ATOM 148 C VAL A 11 -6.107 -5.078 -20.314 1.00 2.42 C ATOM 149 O VAL A 11 -5.142 -5.211 -21.066 1.00 24.51 O ATOM 150 CB VAL A 11 -6.431 -4.041 -18.067 1.00 31.12 C ATOM 151 CG1 VAL A 11 -6.632 -4.337 -16.588 1.00 71.14 C ATOM 152 CG2 VAL A 11 -5.433 -2.910 -18.262 1.00 11.34 C ATOM 0 H VAL A 11 -3.899 -4.961 -18.737 1.00 2.53 H new ATOM 0 HA VAL A 11 -6.592 -6.145 -18.515 1.00 71.31 H new ATOM 0 HB VAL A 11 -7.388 -3.726 -18.483 1.00 31.12 H new ATOM 0 HG11 VAL A 11 -6.961 -3.432 -16.077 1.00 71.14 H new ATOM 0 HG12 VAL A 11 -7.387 -5.114 -16.472 1.00 71.14 H new ATOM 0 HG13 VAL A 11 -5.692 -4.677 -16.154 1.00 71.14 H new ATOM 0 HG21 VAL A 11 -5.778 -2.024 -17.728 1.00 11.34 H new ATOM 0 HG22 VAL A 11 -4.460 -3.212 -17.874 1.00 11.34 H new ATOM 0 HG23 VAL A 11 -5.345 -2.682 -19.324 1.00 11.34 H new ATOM 162 N TRP A 12 -7.315 -4.733 -20.742 1.00 55.54 N ATOM 163 CA TRP A 12 -7.584 -4.485 -22.155 1.00 22.44 C ATOM 164 C TRP A 12 -8.013 -3.040 -22.382 1.00 61.23 C ATOM 165 O TRP A 12 -8.847 -2.507 -21.649 1.00 50.14 O ATOM 166 CB TRP A 12 -8.667 -5.438 -22.664 1.00 24.25 C ATOM 167 CG TRP A 12 -8.117 -6.708 -23.241 1.00 13.35 C ATOM 168 CD1 TRP A 12 -6.869 -7.225 -23.043 1.00 43.34 C ATOM 169 CD2 TRP A 12 -8.798 -7.619 -24.110 1.00 52.33 C ATOM 170 NE1 TRP A 12 -6.732 -8.402 -23.738 1.00 74.23 N ATOM 171 CE2 TRP A 12 -7.902 -8.666 -24.400 1.00 72.31 C ATOM 172 CE3 TRP A 12 -10.078 -7.653 -24.671 1.00 2.43 C ATOM 173 CZ2 TRP A 12 -8.247 -9.733 -25.226 1.00 42.10 C ATOM 174 CZ3 TRP A 12 -10.418 -8.712 -25.490 1.00 51.34 C ATOM 175 CH2 TRP A 12 -9.506 -9.740 -25.761 1.00 71.53 C ATOM 0 H TRP A 12 -8.124 -4.618 -20.132 1.00 55.54 H new ATOM 0 HA TRP A 12 -6.663 -4.662 -22.711 1.00 22.44 H new ATOM 0 HB2 TRP A 12 -9.341 -5.682 -21.843 1.00 24.25 H new ATOM 0 HB3 TRP A 12 -9.261 -4.929 -23.423 1.00 24.25 H new ATOM 0 HD1 TRP A 12 -6.102 -6.775 -22.430 1.00 43.34 H new ATOM 0 HE1 TRP A 12 -5.895 -8.985 -23.758 1.00 74.23 H new ATOM 0 HE3 TRP A 12 -10.788 -6.865 -24.468 1.00 2.43 H new ATOM 0 HZ2 TRP A 12 -7.545 -10.527 -25.437 1.00 42.10 H new ATOM 0 HZ3 TRP A 12 -11.404 -8.748 -25.929 1.00 51.34 H new ATOM 0 HH2 TRP A 12 -9.803 -10.554 -26.405 1.00 71.53 H new ATOM 186 N LEU A 13 -7.439 -2.411 -23.402 1.00 0.23 N ATOM 187 CA LEU A 13 -7.763 -1.026 -23.726 1.00 40.11 C ATOM 188 C LEU A 13 -8.412 -0.927 -25.103 1.00 11.31 C ATOM 189 O LEU A 13 -7.789 -1.235 -26.119 1.00 42.30 O ATOM 190 CB LEU A 13 -6.501 -0.162 -23.681 1.00 72.32 C ATOM 191 CG LEU A 13 -6.530 1.019 -22.710 1.00 74.34 C ATOM 192 CD1 LEU A 13 -5.355 0.948 -21.748 1.00 45.15 C ATOM 193 CD2 LEU A 13 -6.520 2.336 -23.472 1.00 71.24 C ATOM 0 H LEU A 13 -6.747 -2.838 -24.018 1.00 0.23 H new ATOM 0 HA LEU A 13 -8.472 -0.661 -22.983 1.00 40.11 H new ATOM 0 HB2 LEU A 13 -5.657 -0.800 -23.420 1.00 72.32 H new ATOM 0 HB3 LEU A 13 -6.312 0.222 -24.683 1.00 72.32 H new ATOM 0 HG LEU A 13 -7.451 0.965 -22.130 1.00 74.34 H new ATOM 0 HD11 LEU A 13 -5.392 1.796 -21.065 1.00 45.15 H new ATOM 0 HD12 LEU A 13 -5.407 0.020 -21.178 1.00 45.15 H new ATOM 0 HD13 LEU A 13 -4.422 0.976 -22.311 1.00 45.15 H new ATOM 0 HD21 LEU A 13 -6.541 3.165 -22.765 1.00 71.24 H new ATOM 0 HD22 LEU A 13 -5.616 2.399 -24.078 1.00 71.24 H new ATOM 0 HD23 LEU A 13 -7.396 2.389 -24.119 1.00 71.24 H new ATOM 205 N LYS A 14 -9.668 -0.493 -25.129 1.00 44.33 N ATOM 206 CA LYS A 14 -10.402 -0.349 -26.381 1.00 3.41 C ATOM 207 C LYS A 14 -10.549 1.122 -26.759 1.00 34.31 C ATOM 208 O LYS A 14 -11.376 1.837 -26.193 1.00 23.32 O ATOM 209 CB LYS A 14 -11.783 -0.997 -26.264 1.00 22.34 C ATOM 210 CG LYS A 14 -12.385 -1.392 -27.601 1.00 11.20 C ATOM 211 CD LYS A 14 -13.222 -0.268 -28.189 1.00 32.13 C ATOM 212 CE LYS A 14 -14.573 -0.773 -28.671 1.00 34.21 C ATOM 213 NZ LYS A 14 -15.580 -0.798 -27.574 1.00 21.13 N ATOM 0 H LYS A 14 -10.199 -0.235 -24.297 1.00 44.33 H new ATOM 0 HA LYS A 14 -9.837 -0.853 -27.165 1.00 3.41 H new ATOM 0 HB2 LYS A 14 -11.707 -1.883 -25.633 1.00 22.34 H new ATOM 0 HB3 LYS A 14 -12.458 -0.305 -25.761 1.00 22.34 H new ATOM 0 HG2 LYS A 14 -11.588 -1.656 -28.296 1.00 11.20 H new ATOM 0 HG3 LYS A 14 -13.004 -2.280 -27.474 1.00 11.20 H new ATOM 0 HD2 LYS A 14 -13.369 0.508 -27.438 1.00 32.13 H new ATOM 0 HD3 LYS A 14 -12.686 0.190 -29.020 1.00 32.13 H new ATOM 0 HE2 LYS A 14 -14.932 -0.135 -29.479 1.00 34.21 H new ATOM 0 HE3 LYS A 14 -14.460 -1.776 -29.083 1.00 34.21 H new ATOM 0 HZ1 LYS A 14 -16.477 -1.180 -27.935 1.00 21.13 H new ATOM 0 HZ2 LYS A 14 -15.234 -1.400 -26.799 1.00 21.13 H new ATOM 0 HZ3 LYS A 14 -15.732 0.168 -27.221 1.00 21.13 H new ATOM 227 N GLN A 15 -9.744 1.565 -27.719 1.00 75.02 N ATOM 228 CA GLN A 15 -9.787 2.950 -28.172 1.00 54.24 C ATOM 229 C GLN A 15 -11.138 3.276 -28.801 1.00 73.41 C ATOM 230 O GLN A 15 -11.935 2.380 -29.083 1.00 3.11 O ATOM 231 CB GLN A 15 -8.666 3.215 -29.179 1.00 32.32 C ATOM 232 CG GLN A 15 -7.549 4.086 -28.629 1.00 43.53 C ATOM 233 CD GLN A 15 -7.689 5.540 -29.036 1.00 44.13 C ATOM 234 OE1 GLN A 15 -8.786 6.098 -29.021 1.00 73.03 O ATOM 235 NE2 GLN A 15 -6.574 6.162 -29.403 1.00 14.40 N ATOM 0 H GLN A 15 -9.055 0.985 -28.198 1.00 75.02 H new ATOM 0 HA GLN A 15 -9.646 3.594 -27.304 1.00 54.24 H new ATOM 0 HB2 GLN A 15 -8.247 2.262 -29.503 1.00 32.32 H new ATOM 0 HB3 GLN A 15 -9.088 3.694 -30.062 1.00 32.32 H new ATOM 0 HG2 GLN A 15 -7.541 4.016 -27.541 1.00 43.53 H new ATOM 0 HG3 GLN A 15 -6.590 3.705 -28.980 1.00 43.53 H new ATOM 0 HE21 GLN A 15 -5.686 5.661 -29.400 1.00 14.40 H new ATOM 0 HE22 GLN A 15 -6.606 7.141 -29.687 1.00 14.40 H new ATOM 244 N ASP A 16 -11.390 4.562 -29.018 1.00 23.12 N ATOM 245 CA ASP A 16 -12.644 5.006 -29.614 1.00 34.20 C ATOM 246 C ASP A 16 -12.783 4.484 -31.041 1.00 4.02 C ATOM 247 O ASP A 16 -13.791 3.872 -31.393 1.00 63.42 O ATOM 248 CB ASP A 16 -12.725 6.533 -29.606 1.00 52.22 C ATOM 249 CG ASP A 16 -13.307 7.076 -28.316 1.00 23.45 C ATOM 250 OD1 ASP A 16 -13.124 6.427 -27.263 1.00 51.55 O ATOM 251 OD2 ASP A 16 -13.944 8.149 -28.357 1.00 63.31 O ATOM 0 H ASP A 16 -10.742 5.316 -28.790 1.00 23.12 H new ATOM 0 HA ASP A 16 -13.463 4.604 -29.018 1.00 34.20 H new ATOM 0 HB2 ASP A 16 -11.728 6.947 -29.754 1.00 52.22 H new ATOM 0 HB3 ASP A 16 -13.336 6.866 -30.445 1.00 52.22 H new ATOM 256 N ARG A 17 -11.764 4.732 -31.857 1.00 63.23 N ATOM 257 CA ARG A 17 -11.773 4.289 -33.246 1.00 43.04 C ATOM 258 C ARG A 17 -10.956 3.011 -33.415 1.00 33.01 C ATOM 259 O ARG A 17 -11.233 2.196 -34.296 1.00 13.44 O ATOM 260 CB ARG A 17 -11.217 5.386 -34.157 1.00 73.40 C ATOM 261 CG ARG A 17 -12.278 6.067 -35.007 1.00 24.33 C ATOM 262 CD ARG A 17 -11.771 6.345 -36.413 1.00 64.42 C ATOM 263 NE ARG A 17 -12.139 7.681 -36.874 1.00 21.42 N ATOM 264 CZ ARG A 17 -11.494 8.785 -36.515 1.00 51.34 C ATOM 265 NH1 ARG A 17 -10.454 8.714 -35.697 1.00 23.53 N ATOM 266 NH2 ARG A 17 -11.889 9.965 -36.977 1.00 34.02 N ATOM 0 H ARG A 17 -10.922 5.237 -31.581 1.00 63.23 H new ATOM 0 HA ARG A 17 -12.805 4.080 -33.527 1.00 43.04 H new ATOM 0 HB2 ARG A 17 -10.717 6.136 -33.545 1.00 73.40 H new ATOM 0 HB3 ARG A 17 -10.461 4.954 -34.812 1.00 73.40 H new ATOM 0 HG2 ARG A 17 -13.166 5.436 -35.057 1.00 24.33 H new ATOM 0 HG3 ARG A 17 -12.578 7.003 -34.536 1.00 24.33 H new ATOM 0 HD2 ARG A 17 -10.686 6.240 -36.434 1.00 64.42 H new ATOM 0 HD3 ARG A 17 -12.177 5.601 -37.098 1.00 64.42 H new ATOM 0 HE ARG A 17 -12.935 7.771 -37.506 1.00 21.42 H new ATOM 0 HH11 ARG A 17 -10.146 7.809 -35.341 1.00 23.53 H new ATOM 0 HH12 ARG A 17 -9.961 9.564 -35.424 1.00 23.53 H new ATOM 0 HH21 ARG A 17 -12.688 10.024 -37.608 1.00 34.02 H new ATOM 0 HH22 ARG A 17 -11.393 10.813 -36.701 1.00 34.02 H new ATOM 280 N PHE A 18 -9.949 2.842 -32.565 1.00 45.42 N ATOM 281 CA PHE A 18 -9.091 1.665 -32.621 1.00 25.42 C ATOM 282 C PHE A 18 -9.702 0.509 -31.835 1.00 32.43 C ATOM 283 O PHE A 18 -10.520 0.701 -30.935 1.00 33.41 O ATOM 284 CB PHE A 18 -7.702 1.993 -32.069 1.00 64.31 C ATOM 285 CG PHE A 18 -6.633 2.037 -33.124 1.00 22.44 C ATOM 286 CD1 PHE A 18 -6.783 2.831 -34.248 1.00 51.35 C ATOM 287 CD2 PHE A 18 -5.478 1.283 -32.990 1.00 31.50 C ATOM 288 CE1 PHE A 18 -5.801 2.874 -35.221 1.00 13.35 C ATOM 289 CE2 PHE A 18 -4.493 1.322 -33.958 1.00 62.24 C ATOM 290 CZ PHE A 18 -4.655 2.118 -35.076 1.00 32.44 C ATOM 0 H PHE A 18 -9.707 3.506 -31.829 1.00 45.42 H new ATOM 0 HA PHE A 18 -8.998 1.364 -33.664 1.00 25.42 H new ATOM 0 HB2 PHE A 18 -7.740 2.957 -31.561 1.00 64.31 H new ATOM 0 HB3 PHE A 18 -7.432 1.248 -31.320 1.00 64.31 H new ATOM 0 HD1 PHE A 18 -7.678 3.424 -34.367 1.00 51.35 H new ATOM 0 HD2 PHE A 18 -5.346 0.658 -32.119 1.00 31.50 H new ATOM 0 HE1 PHE A 18 -5.931 3.498 -36.093 1.00 13.35 H new ATOM 0 HE2 PHE A 18 -3.597 0.731 -33.841 1.00 62.24 H new ATOM 0 HZ PHE A 18 -3.887 2.149 -35.835 1.00 32.44 H new ATOM 300 N PRO A 19 -9.297 -0.722 -32.182 1.00 73.10 N ATOM 301 CA PRO A 19 -9.792 -1.934 -31.522 1.00 53.12 C ATOM 302 C PRO A 19 -9.283 -2.064 -30.091 1.00 2.22 C ATOM 303 O PRO A 19 -8.691 -1.132 -29.546 1.00 31.01 O ATOM 304 CB PRO A 19 -9.236 -3.064 -32.392 1.00 53.13 C ATOM 305 CG PRO A 19 -8.025 -2.484 -33.038 1.00 32.23 C ATOM 306 CD PRO A 19 -8.325 -1.025 -33.245 1.00 63.33 C ATOM 0 HA PRO A 19 -10.879 -1.937 -31.438 1.00 53.12 H new ATOM 0 HB2 PRO A 19 -8.984 -3.938 -31.792 1.00 53.13 H new ATOM 0 HB3 PRO A 19 -9.965 -3.387 -33.135 1.00 53.13 H new ATOM 0 HG2 PRO A 19 -7.145 -2.616 -32.408 1.00 32.23 H new ATOM 0 HG3 PRO A 19 -7.814 -2.978 -33.987 1.00 32.23 H new ATOM 0 HD2 PRO A 19 -7.427 -0.414 -33.155 1.00 63.33 H new ATOM 0 HD3 PRO A 19 -8.741 -0.837 -34.235 1.00 63.33 H new ATOM 314 N TRP A 20 -9.516 -3.224 -29.488 1.00 62.12 N ATOM 315 CA TRP A 20 -9.079 -3.475 -28.119 1.00 73.33 C ATOM 316 C TRP A 20 -7.783 -4.278 -28.100 1.00 33.02 C ATOM 317 O TRP A 20 -7.721 -5.385 -28.634 1.00 65.31 O ATOM 318 CB TRP A 20 -10.167 -4.221 -27.344 1.00 51.51 C ATOM 319 CG TRP A 20 -10.685 -5.430 -28.062 1.00 22.35 C ATOM 320 CD1 TRP A 20 -10.208 -6.707 -27.965 1.00 54.43 C ATOM 321 CD2 TRP A 20 -11.777 -5.476 -28.986 1.00 61.22 C ATOM 322 NE1 TRP A 20 -10.939 -7.543 -28.775 1.00 23.25 N ATOM 323 CE2 TRP A 20 -11.907 -6.813 -29.411 1.00 33.02 C ATOM 324 CE3 TRP A 20 -12.659 -4.519 -29.495 1.00 44.11 C ATOM 325 CZ2 TRP A 20 -12.883 -7.213 -30.320 1.00 44.04 C ATOM 326 CZ3 TRP A 20 -13.626 -4.917 -30.398 1.00 62.50 C ATOM 327 CH2 TRP A 20 -13.732 -6.255 -30.803 1.00 13.24 C ATOM 0 H TRP A 20 -10.005 -4.005 -29.925 1.00 62.12 H new ATOM 0 HA TRP A 20 -8.896 -2.513 -27.640 1.00 73.33 H new ATOM 0 HB2 TRP A 20 -9.770 -4.525 -26.376 1.00 51.51 H new ATOM 0 HB3 TRP A 20 -10.996 -3.540 -27.149 1.00 51.51 H new ATOM 0 HD1 TRP A 20 -9.379 -7.014 -27.344 1.00 54.43 H new ATOM 0 HE1 TRP A 20 -10.785 -8.545 -28.885 1.00 23.25 H new ATOM 0 HE3 TRP A 20 -12.586 -3.486 -29.188 1.00 44.11 H new ATOM 0 HZ2 TRP A 20 -12.967 -8.243 -30.633 1.00 44.04 H new ATOM 0 HZ3 TRP A 20 -14.312 -4.185 -30.799 1.00 62.50 H new ATOM 0 HH2 TRP A 20 -14.499 -6.535 -31.510 1.00 13.24 H new ATOM 338 N TRP A 21 -6.752 -3.714 -27.481 1.00 54.35 N ATOM 339 CA TRP A 21 -5.457 -4.379 -27.393 1.00 12.51 C ATOM 340 C TRP A 21 -5.025 -4.537 -25.939 1.00 41.14 C ATOM 341 O TRP A 21 -5.420 -3.769 -25.062 1.00 75.01 O ATOM 342 CB TRP A 21 -4.402 -3.589 -28.169 1.00 25.12 C ATOM 343 CG TRP A 21 -4.581 -2.104 -28.074 1.00 34.23 C ATOM 344 CD1 TRP A 21 -5.085 -1.276 -29.036 1.00 70.41 C ATOM 345 CD2 TRP A 21 -4.257 -1.272 -26.955 1.00 41.41 C ATOM 346 NE1 TRP A 21 -5.093 0.021 -28.583 1.00 71.11 N ATOM 347 CE2 TRP A 21 -4.591 0.050 -27.309 1.00 41.30 C ATOM 348 CE3 TRP A 21 -3.719 -1.514 -25.689 1.00 23.15 C ATOM 349 CZ2 TRP A 21 -4.402 1.123 -26.442 1.00 14.04 C ATOM 350 CZ3 TRP A 21 -3.532 -0.448 -24.829 1.00 21.40 C ATOM 351 CH2 TRP A 21 -3.874 0.857 -25.208 1.00 24.41 C ATOM 0 H TRP A 21 -6.788 -2.798 -27.033 1.00 54.35 H new ATOM 0 HA TRP A 21 -5.554 -5.371 -27.834 1.00 12.51 H new ATOM 0 HB2 TRP A 21 -3.413 -3.853 -27.795 1.00 25.12 H new ATOM 0 HB3 TRP A 21 -4.435 -3.885 -29.217 1.00 25.12 H new ATOM 0 HD1 TRP A 21 -5.427 -1.594 -30.010 1.00 70.41 H new ATOM 0 HE1 TRP A 21 -5.420 0.831 -29.110 1.00 71.11 H new ATOM 0 HE3 TRP A 21 -3.454 -2.516 -25.387 1.00 23.15 H new ATOM 0 HZ2 TRP A 21 -4.663 2.130 -26.733 1.00 14.04 H new ATOM 0 HZ3 TRP A 21 -3.115 -0.624 -23.848 1.00 21.40 H new ATOM 0 HH2 TRP A 21 -3.718 1.669 -24.513 1.00 24.41 H new ATOM 362 N PRO A 22 -4.193 -5.556 -25.676 1.00 13.32 N ATOM 363 CA PRO A 22 -3.689 -5.838 -24.329 1.00 2.54 C ATOM 364 C PRO A 22 -2.703 -4.779 -23.846 1.00 22.34 C ATOM 365 O PRO A 22 -1.989 -4.172 -24.643 1.00 21.33 O ATOM 366 CB PRO A 22 -2.988 -7.189 -24.488 1.00 5.22 C ATOM 367 CG PRO A 22 -2.605 -7.250 -25.926 1.00 41.23 C ATOM 368 CD PRO A 22 -3.681 -6.511 -26.673 1.00 0.33 C ATOM 0 HA PRO A 22 -4.488 -5.842 -23.587 1.00 2.54 H new ATOM 0 HB2 PRO A 22 -2.113 -7.259 -23.842 1.00 5.22 H new ATOM 0 HB3 PRO A 22 -3.650 -8.012 -24.219 1.00 5.22 H new ATOM 0 HG2 PRO A 22 -1.630 -6.791 -26.090 1.00 41.23 H new ATOM 0 HG3 PRO A 22 -2.532 -8.283 -26.267 1.00 41.23 H new ATOM 0 HD2 PRO A 22 -3.283 -6.001 -27.551 1.00 0.33 H new ATOM 0 HD3 PRO A 22 -4.463 -7.185 -27.023 1.00 0.33 H new ATOM 376 N GLY A 23 -2.669 -4.563 -22.534 1.00 65.30 N ATOM 377 CA GLY A 23 -1.766 -3.578 -21.968 1.00 0.01 C ATOM 378 C GLY A 23 -1.537 -3.787 -20.484 1.00 45.22 C ATOM 379 O GLY A 23 -2.487 -3.936 -19.716 1.00 55.54 O ATOM 0 H GLY A 23 -3.250 -5.052 -21.854 1.00 65.30 H new ATOM 0 HA2 GLY A 23 -0.810 -3.623 -22.490 1.00 0.01 H new ATOM 0 HA3 GLY A 23 -2.172 -2.580 -22.133 1.00 0.01 H new ATOM 383 N PHE A 24 -0.271 -3.800 -20.079 1.00 10.22 N ATOM 384 CA PHE A 24 0.081 -3.995 -18.677 1.00 52.11 C ATOM 385 C PHE A 24 0.010 -2.678 -17.910 1.00 52.31 C ATOM 386 O PHE A 24 0.590 -1.674 -18.323 1.00 40.43 O ATOM 387 CB PHE A 24 1.485 -4.591 -18.560 1.00 60.30 C ATOM 388 CG PHE A 24 1.841 -5.512 -19.692 1.00 23.44 C ATOM 389 CD1 PHE A 24 1.004 -6.560 -20.039 1.00 63.51 C ATOM 390 CD2 PHE A 24 3.014 -5.331 -20.407 1.00 53.44 C ATOM 391 CE1 PHE A 24 1.329 -7.410 -21.080 1.00 41.21 C ATOM 392 CE2 PHE A 24 3.343 -6.176 -21.450 1.00 24.44 C ATOM 393 CZ PHE A 24 2.501 -7.218 -21.786 1.00 12.05 C ATOM 0 H PHE A 24 0.528 -3.678 -20.701 1.00 10.22 H new ATOM 0 HA PHE A 24 -0.638 -4.688 -18.241 1.00 52.11 H new ATOM 0 HB2 PHE A 24 2.213 -3.781 -18.519 1.00 60.30 H new ATOM 0 HB3 PHE A 24 1.562 -5.137 -17.620 1.00 60.30 H new ATOM 0 HD1 PHE A 24 0.087 -6.715 -19.490 1.00 63.51 H new ATOM 0 HD2 PHE A 24 3.679 -4.521 -20.146 1.00 53.44 H new ATOM 0 HE1 PHE A 24 0.668 -8.223 -21.341 1.00 41.21 H new ATOM 0 HE2 PHE A 24 4.258 -6.022 -22.002 1.00 24.44 H new ATOM 0 HZ PHE A 24 2.758 -7.881 -22.599 1.00 12.05 H new ATOM 403 N VAL A 25 -0.707 -2.690 -16.790 1.00 45.44 N ATOM 404 CA VAL A 25 -0.854 -1.497 -15.964 1.00 61.34 C ATOM 405 C VAL A 25 0.354 -1.306 -15.055 1.00 24.02 C ATOM 406 O VAL A 25 0.631 -2.138 -14.191 1.00 45.30 O ATOM 407 CB VAL A 25 -2.127 -1.567 -15.101 1.00 12.25 C ATOM 408 CG1 VAL A 25 -2.245 -0.330 -14.223 1.00 32.34 C ATOM 409 CG2 VAL A 25 -3.359 -1.726 -15.979 1.00 64.42 C ATOM 0 H VAL A 25 -1.195 -3.512 -16.434 1.00 45.44 H new ATOM 0 HA VAL A 25 -0.931 -0.648 -16.643 1.00 61.34 H new ATOM 0 HB VAL A 25 -2.057 -2.440 -14.452 1.00 12.25 H new ATOM 0 HG11 VAL A 25 -3.151 -0.397 -13.620 1.00 32.34 H new ATOM 0 HG12 VAL A 25 -1.377 -0.265 -13.567 1.00 32.34 H new ATOM 0 HG13 VAL A 25 -2.292 0.559 -14.852 1.00 32.34 H new ATOM 0 HG21 VAL A 25 -4.249 -1.774 -15.352 1.00 64.42 H new ATOM 0 HG22 VAL A 25 -3.437 -0.874 -16.655 1.00 64.42 H new ATOM 0 HG23 VAL A 25 -3.275 -2.644 -16.561 1.00 64.42 H new ATOM 419 N MET A 26 1.070 -0.204 -15.255 1.00 23.32 N ATOM 420 CA MET A 26 2.249 0.097 -14.451 1.00 10.23 C ATOM 421 C MET A 26 2.263 1.565 -14.035 1.00 71.15 C ATOM 422 O MET A 26 1.889 2.443 -14.813 1.00 41.20 O ATOM 423 CB MET A 26 3.523 -0.237 -15.229 1.00 51.23 C ATOM 424 CG MET A 26 3.609 -1.693 -15.658 1.00 2.41 C ATOM 425 SD MET A 26 4.965 -2.573 -14.859 1.00 11.33 S ATOM 426 CE MET A 26 4.889 -4.150 -15.704 1.00 24.11 C ATOM 0 H MET A 26 0.855 0.495 -15.966 1.00 23.32 H new ATOM 0 HA MET A 26 2.211 -0.517 -13.551 1.00 10.23 H new ATOM 0 HB2 MET A 26 3.576 0.398 -16.114 1.00 51.23 H new ATOM 0 HB3 MET A 26 4.389 0.003 -14.612 1.00 51.23 H new ATOM 0 HG2 MET A 26 2.669 -2.193 -15.424 1.00 2.41 H new ATOM 0 HG3 MET A 26 3.736 -1.742 -16.739 1.00 2.41 H new ATOM 0 HE1 MET A 26 5.669 -4.807 -15.319 1.00 24.11 H new ATOM 0 HE2 MET A 26 3.914 -4.607 -15.535 1.00 24.11 H new ATOM 0 HE3 MET A 26 5.038 -3.998 -16.773 1.00 24.11 H new ATOM 436 N ASP A 27 2.695 1.823 -12.806 1.00 45.13 N ATOM 437 CA ASP A 27 2.759 3.185 -12.288 1.00 74.14 C ATOM 438 C ASP A 27 4.096 3.835 -12.630 1.00 30.45 C ATOM 439 O ASP A 27 5.142 3.186 -12.648 1.00 43.01 O ATOM 440 CB ASP A 27 2.548 3.187 -10.773 1.00 50.34 C ATOM 441 CG ASP A 27 3.763 2.684 -10.019 1.00 72.32 C ATOM 442 OD1 ASP A 27 4.691 3.486 -9.785 1.00 62.14 O ATOM 443 OD2 ASP A 27 3.785 1.487 -9.662 1.00 11.50 O ATOM 0 H ASP A 27 3.006 1.107 -12.149 1.00 45.13 H new ATOM 0 HA ASP A 27 1.964 3.764 -12.758 1.00 74.14 H new ATOM 0 HB2 ASP A 27 2.312 4.199 -10.443 1.00 50.34 H new ATOM 0 HB3 ASP A 27 1.688 2.564 -10.528 1.00 50.34 H new ATOM 448 N PRO A 28 4.063 5.146 -12.907 1.00 42.43 N ATOM 449 CA PRO A 28 5.264 5.913 -13.254 1.00 21.54 C ATOM 450 C PRO A 28 6.203 6.088 -12.065 1.00 34.03 C ATOM 451 O PRO A 28 7.424 6.031 -12.212 1.00 34.21 O ATOM 452 CB PRO A 28 4.705 7.266 -13.698 1.00 41.50 C ATOM 453 CG PRO A 28 3.394 7.382 -13.001 1.00 14.10 C ATOM 454 CD PRO A 28 2.851 5.983 -12.904 1.00 63.12 C ATOM 0 HA PRO A 28 5.861 5.413 -14.016 1.00 21.54 H new ATOM 0 HB2 PRO A 28 5.374 8.081 -13.421 1.00 41.50 H new ATOM 0 HB3 PRO A 28 4.583 7.308 -14.780 1.00 41.50 H new ATOM 0 HG2 PRO A 28 3.516 7.823 -12.012 1.00 14.10 H new ATOM 0 HG3 PRO A 28 2.713 8.027 -13.556 1.00 14.10 H new ATOM 0 HD2 PRO A 28 2.267 5.841 -11.995 1.00 63.12 H new ATOM 0 HD3 PRO A 28 2.197 5.747 -13.743 1.00 63.12 H new ATOM 462 N ASP A 29 5.625 6.301 -10.888 1.00 1.15 N ATOM 463 CA ASP A 29 6.411 6.483 -9.672 1.00 55.44 C ATOM 464 C ASP A 29 5.502 6.670 -8.461 1.00 41.11 C ATOM 465 O ASP A 29 5.720 7.563 -7.643 1.00 34.23 O ATOM 466 CB ASP A 29 7.342 7.688 -9.817 1.00 71.14 C ATOM 467 CG ASP A 29 8.690 7.460 -9.161 1.00 75.15 C ATOM 468 OD1 ASP A 29 9.627 8.235 -9.446 1.00 12.14 O ATOM 469 OD2 ASP A 29 8.807 6.507 -8.363 1.00 72.13 O ATOM 0 H ASP A 29 4.616 6.352 -10.750 1.00 1.15 H new ATOM 0 HA ASP A 29 7.011 5.586 -9.519 1.00 55.44 H new ATOM 0 HB2 ASP A 29 7.488 7.905 -10.875 1.00 71.14 H new ATOM 0 HB3 ASP A 29 6.869 8.564 -9.374 1.00 71.14 H new ATOM 474 N GLU A 30 4.484 5.822 -8.355 1.00 53.21 N ATOM 475 CA GLU A 30 3.542 5.896 -7.245 1.00 34.04 C ATOM 476 C GLU A 30 2.757 7.204 -7.282 1.00 44.55 C ATOM 477 O GLU A 30 3.012 8.117 -6.497 1.00 4.14 O ATOM 478 CB GLU A 30 4.281 5.770 -5.911 1.00 35.13 C ATOM 479 CG GLU A 30 5.314 4.656 -5.890 1.00 41.43 C ATOM 480 CD GLU A 30 5.600 4.151 -4.489 1.00 41.43 C ATOM 481 OE1 GLU A 30 4.834 3.295 -4.000 1.00 71.02 O ATOM 482 OE2 GLU A 30 6.589 4.612 -3.882 1.00 40.43 O ATOM 0 H GLU A 30 4.291 5.076 -9.024 1.00 53.21 H new ATOM 0 HA GLU A 30 2.839 5.068 -7.343 1.00 34.04 H new ATOM 0 HB2 GLU A 30 4.775 6.716 -5.688 1.00 35.13 H new ATOM 0 HB3 GLU A 30 3.554 5.595 -5.118 1.00 35.13 H new ATOM 0 HG2 GLU A 30 4.962 3.828 -6.506 1.00 41.43 H new ATOM 0 HG3 GLU A 30 6.240 5.016 -6.338 1.00 41.43 H new ATOM 489 N VAL A 31 1.802 7.288 -8.203 1.00 12.53 N ATOM 490 CA VAL A 31 0.979 8.484 -8.344 1.00 3.01 C ATOM 491 C VAL A 31 -0.315 8.358 -7.547 1.00 45.24 C ATOM 492 O VAL A 31 -1.260 9.119 -7.755 1.00 42.02 O ATOM 493 CB VAL A 31 0.636 8.758 -9.820 1.00 71.11 C ATOM 494 CG1 VAL A 31 1.877 9.188 -10.586 1.00 44.14 C ATOM 495 CG2 VAL A 31 0.005 7.529 -10.457 1.00 25.30 C ATOM 0 H VAL A 31 1.579 6.542 -8.862 1.00 12.53 H new ATOM 0 HA VAL A 31 1.562 9.318 -7.954 1.00 3.01 H new ATOM 0 HB VAL A 31 -0.087 9.572 -9.862 1.00 71.11 H new ATOM 0 HG11 VAL A 31 1.615 9.377 -11.627 1.00 44.14 H new ATOM 0 HG12 VAL A 31 2.281 10.098 -10.143 1.00 44.14 H new ATOM 0 HG13 VAL A 31 2.626 8.398 -10.538 1.00 44.14 H new ATOM 0 HG21 VAL A 31 -0.231 7.740 -11.500 1.00 25.30 H new ATOM 0 HG22 VAL A 31 0.703 6.693 -10.405 1.00 25.30 H new ATOM 0 HG23 VAL A 31 -0.910 7.271 -9.923 1.00 25.30 H new ATOM 505 N ARG A 32 -0.349 7.393 -6.634 1.00 54.14 N ATOM 506 CA ARG A 32 -1.528 7.167 -5.806 1.00 61.25 C ATOM 507 C ARG A 32 -1.558 8.135 -4.627 1.00 60.04 C ATOM 508 O ARG A 32 -2.617 8.638 -4.252 1.00 2.34 O ATOM 509 CB ARG A 32 -1.550 5.725 -5.297 1.00 21.34 C ATOM 510 CG ARG A 32 -2.921 5.072 -5.373 1.00 43.43 C ATOM 511 CD ARG A 32 -2.901 3.665 -4.799 1.00 23.42 C ATOM 512 NE ARG A 32 -3.777 3.535 -3.638 1.00 23.24 N ATOM 513 CZ ARG A 32 -3.651 2.578 -2.725 1.00 64.42 C ATOM 514 NH1 ARG A 32 -2.689 1.671 -2.839 1.00 13.53 N ATOM 515 NH2 ARG A 32 -4.487 2.526 -1.696 1.00 62.33 N ATOM 0 H ARG A 32 0.425 6.756 -6.449 1.00 54.14 H new ATOM 0 HA ARG A 32 -2.412 7.342 -6.420 1.00 61.25 H new ATOM 0 HB2 ARG A 32 -0.842 5.133 -5.878 1.00 21.34 H new ATOM 0 HB3 ARG A 32 -1.206 5.709 -4.263 1.00 21.34 H new ATOM 0 HG2 ARG A 32 -3.644 5.678 -4.828 1.00 43.43 H new ATOM 0 HG3 ARG A 32 -3.252 5.038 -6.411 1.00 43.43 H new ATOM 0 HD2 ARG A 32 -3.210 2.956 -5.567 1.00 23.42 H new ATOM 0 HD3 ARG A 32 -1.882 3.404 -4.515 1.00 23.42 H new ATOM 0 HE ARG A 32 -4.527 4.216 -3.521 1.00 23.24 H new ATOM 0 HH11 ARG A 32 -2.044 1.708 -3.629 1.00 13.53 H new ATOM 0 HH12 ARG A 32 -2.594 0.937 -2.137 1.00 13.53 H new ATOM 0 HH21 ARG A 32 -5.228 3.221 -1.605 1.00 62.33 H new ATOM 0 HH22 ARG A 32 -4.389 1.791 -0.996 1.00 62.33 H new ATOM 529 N ASP A 33 -0.390 8.390 -4.048 1.00 50.24 N ATOM 530 CA ASP A 33 -0.282 9.298 -2.912 1.00 50.34 C ATOM 531 C ASP A 33 0.279 10.649 -3.348 1.00 33.45 C ATOM 532 O ASP A 33 -0.046 11.683 -2.765 1.00 14.44 O ATOM 533 CB ASP A 33 0.607 8.689 -1.828 1.00 21.55 C ATOM 534 CG ASP A 33 1.112 9.725 -0.843 1.00 32.44 C ATOM 535 OD1 ASP A 33 0.273 10.404 -0.213 1.00 62.43 O ATOM 536 OD2 ASP A 33 2.345 9.856 -0.700 1.00 43.03 O ATOM 0 H ASP A 33 0.495 7.981 -4.347 1.00 50.24 H new ATOM 0 HA ASP A 33 -1.282 9.453 -2.506 1.00 50.34 H new ATOM 0 HB2 ASP A 33 0.047 7.924 -1.291 1.00 21.55 H new ATOM 0 HB3 ASP A 33 1.457 8.192 -2.296 1.00 21.55 H new ATOM 541 N ILE A 34 1.123 10.630 -4.374 1.00 14.24 N ATOM 542 CA ILE A 34 1.728 11.853 -4.886 1.00 61.02 C ATOM 543 C ILE A 34 1.103 12.260 -6.216 1.00 41.31 C ATOM 544 O ILE A 34 1.304 11.602 -7.237 1.00 74.33 O ATOM 545 CB ILE A 34 3.248 11.693 -5.074 1.00 23.41 C ATOM 546 CG1 ILE A 34 3.893 11.182 -3.783 1.00 55.33 C ATOM 547 CG2 ILE A 34 3.872 13.014 -5.497 1.00 40.12 C ATOM 548 CD1 ILE A 34 4.088 9.683 -3.757 1.00 74.52 C ATOM 0 H ILE A 34 1.403 9.782 -4.867 1.00 14.24 H new ATOM 0 HA ILE A 34 1.541 12.631 -4.146 1.00 61.02 H new ATOM 0 HB ILE A 34 3.426 10.961 -5.862 1.00 23.41 H new ATOM 0 HG12 ILE A 34 4.860 11.668 -3.652 1.00 55.33 H new ATOM 0 HG13 ILE A 34 3.272 11.474 -2.936 1.00 55.33 H new ATOM 0 HG21 ILE A 34 4.947 12.884 -5.626 1.00 40.12 H new ATOM 0 HG22 ILE A 34 3.430 13.340 -6.439 1.00 40.12 H new ATOM 0 HG23 ILE A 34 3.687 13.766 -4.730 1.00 40.12 H new ATOM 0 HD11 ILE A 34 4.549 9.392 -2.813 1.00 74.52 H new ATOM 0 HD12 ILE A 34 3.122 9.189 -3.856 1.00 74.52 H new ATOM 0 HD13 ILE A 34 4.734 9.386 -4.583 1.00 74.52 H new ATOM 560 N THR A 35 0.345 13.352 -6.198 1.00 1.41 N ATOM 561 CA THR A 35 -0.309 13.849 -7.402 1.00 30.12 C ATOM 562 C THR A 35 0.340 15.140 -7.887 1.00 55.22 C ATOM 563 O THR A 35 0.122 16.209 -7.315 1.00 41.44 O ATOM 564 CB THR A 35 -1.810 14.100 -7.163 1.00 21.11 C ATOM 565 OG1 THR A 35 -2.304 13.201 -6.163 1.00 42.43 O ATOM 566 CG2 THR A 35 -2.600 13.919 -8.450 1.00 34.11 C ATOM 0 H THR A 35 0.169 13.909 -5.362 1.00 1.41 H new ATOM 0 HA THR A 35 -0.194 13.079 -8.165 1.00 30.12 H new ATOM 0 HB THR A 35 -1.934 15.127 -6.820 1.00 21.11 H new ATOM 0 HG1 THR A 35 -3.258 13.368 -6.016 1.00 42.43 H new ATOM 0 HG21 THR A 35 -3.657 14.101 -8.257 1.00 34.11 H new ATOM 0 HG22 THR A 35 -2.241 14.624 -9.199 1.00 34.11 H new ATOM 0 HG23 THR A 35 -2.469 12.901 -8.818 1.00 34.11 H new ATOM 574 N LEU A 36 1.136 15.035 -8.945 1.00 42.20 N ATOM 575 CA LEU A 36 1.817 16.196 -9.509 1.00 14.14 C ATOM 576 C LEU A 36 1.330 16.477 -10.927 1.00 25.22 C ATOM 577 O LEU A 36 0.877 15.583 -11.642 1.00 54.41 O ATOM 578 CB LEU A 36 3.330 15.974 -9.511 1.00 20.53 C ATOM 579 CG LEU A 36 4.016 16.013 -8.145 1.00 2.12 C ATOM 580 CD1 LEU A 36 5.465 15.567 -8.262 1.00 43.13 C ATOM 581 CD2 LEU A 36 3.933 17.410 -7.546 1.00 70.24 C ATOM 0 H LEU A 36 1.326 14.158 -9.430 1.00 42.20 H new ATOM 0 HA LEU A 36 1.584 17.060 -8.887 1.00 14.14 H new ATOM 0 HB2 LEU A 36 3.535 15.007 -9.970 1.00 20.53 H new ATOM 0 HB3 LEU A 36 3.787 16.732 -10.147 1.00 20.53 H new ATOM 0 HG LEU A 36 3.497 15.322 -7.480 1.00 2.12 H new ATOM 0 HD11 LEU A 36 5.937 15.601 -7.280 1.00 43.13 H new ATOM 0 HD12 LEU A 36 5.502 14.548 -8.647 1.00 43.13 H new ATOM 0 HD13 LEU A 36 5.996 16.232 -8.943 1.00 43.13 H new ATOM 0 HD21 LEU A 36 4.426 17.419 -6.574 1.00 70.24 H new ATOM 0 HD22 LEU A 36 4.426 18.120 -8.210 1.00 70.24 H new ATOM 0 HD23 LEU A 36 2.887 17.692 -7.425 1.00 70.24 H new ATOM 593 N PRO A 37 1.429 17.747 -11.346 1.00 13.23 N ATOM 594 CA PRO A 37 1.007 18.175 -12.683 1.00 34.31 C ATOM 595 C PRO A 37 1.922 17.640 -13.779 1.00 22.45 C ATOM 596 O PRO A 37 3.145 17.741 -13.682 1.00 54.53 O ATOM 597 CB PRO A 37 1.094 19.701 -12.611 1.00 51.32 C ATOM 598 CG PRO A 37 2.105 19.974 -11.551 1.00 75.41 C ATOM 599 CD PRO A 37 1.960 18.864 -10.546 1.00 50.15 C ATOM 0 HA PRO A 37 0.014 17.803 -12.935 1.00 34.31 H new ATOM 0 HB2 PRO A 37 1.399 20.126 -13.567 1.00 51.32 H new ATOM 0 HB3 PRO A 37 0.129 20.141 -12.360 1.00 51.32 H new ATOM 0 HG2 PRO A 37 3.112 19.994 -11.968 1.00 75.41 H new ATOM 0 HG3 PRO A 37 1.932 20.945 -11.088 1.00 75.41 H new ATOM 0 HD2 PRO A 37 2.915 18.611 -10.086 1.00 50.15 H new ATOM 0 HD3 PRO A 37 1.281 19.139 -9.739 1.00 50.15 H new ATOM 607 N GLU A 38 1.322 17.070 -14.819 1.00 42.01 N ATOM 608 CA GLU A 38 2.086 16.519 -15.933 1.00 35.24 C ATOM 609 C GLU A 38 1.162 16.115 -17.079 1.00 0.45 C ATOM 610 O GLU A 38 1.222 16.683 -18.168 1.00 42.41 O ATOM 611 CB GLU A 38 2.902 15.310 -15.471 1.00 70.22 C ATOM 612 CG GLU A 38 4.200 15.124 -16.238 1.00 64.31 C ATOM 613 CD GLU A 38 3.992 15.090 -17.740 1.00 15.34 C ATOM 614 OE1 GLU A 38 3.435 14.090 -18.238 1.00 60.44 O ATOM 615 OE2 GLU A 38 4.384 16.064 -18.416 1.00 23.23 O ATOM 0 H GLU A 38 0.311 16.978 -14.914 1.00 42.01 H new ATOM 0 HA GLU A 38 2.766 17.292 -16.292 1.00 35.24 H new ATOM 0 HB2 GLU A 38 3.129 15.419 -14.410 1.00 70.22 H new ATOM 0 HB3 GLU A 38 2.295 14.411 -15.577 1.00 70.22 H new ATOM 0 HG2 GLU A 38 4.884 15.935 -15.988 1.00 64.31 H new ATOM 0 HG3 GLU A 38 4.676 14.196 -15.920 1.00 64.31 H new ATOM 622 N GLY A 39 0.308 15.129 -16.823 1.00 54.12 N ATOM 623 CA GLY A 39 -0.616 14.665 -17.842 1.00 41.31 C ATOM 624 C GLY A 39 -0.599 13.158 -17.997 1.00 64.43 C ATOM 625 O GLY A 39 -1.346 12.601 -18.801 1.00 73.11 O ATOM 0 H GLY A 39 0.239 14.643 -15.929 1.00 54.12 H new ATOM 0 HA2 GLY A 39 -1.625 14.990 -17.588 1.00 41.31 H new ATOM 0 HA3 GLY A 39 -0.363 15.128 -18.796 1.00 41.31 H new ATOM 629 N SER A 40 0.258 12.495 -17.227 1.00 63.31 N ATOM 630 CA SER A 40 0.374 11.042 -17.287 1.00 1.33 C ATOM 631 C SER A 40 0.455 10.446 -15.885 1.00 31.12 C ATOM 632 O SER A 40 1.479 10.556 -15.210 1.00 35.54 O ATOM 633 CB SER A 40 1.609 10.641 -18.096 1.00 32.20 C ATOM 634 OG SER A 40 2.628 11.620 -17.991 1.00 71.12 O ATOM 0 H SER A 40 0.882 12.940 -16.554 1.00 63.31 H new ATOM 0 HA SER A 40 -0.516 10.651 -17.779 1.00 1.33 H new ATOM 0 HB2 SER A 40 1.984 9.681 -17.741 1.00 32.20 H new ATOM 0 HB3 SER A 40 1.335 10.508 -19.142 1.00 32.20 H new ATOM 0 HG SER A 40 2.374 12.414 -18.507 1.00 71.12 H new ATOM 640 N ASP A 41 -0.632 9.815 -15.454 1.00 23.40 N ATOM 641 CA ASP A 41 -0.685 9.199 -14.133 1.00 11.20 C ATOM 642 C ASP A 41 -0.573 7.681 -14.236 1.00 2.32 C ATOM 643 O ASP A 41 -0.069 7.023 -13.326 1.00 64.52 O ATOM 644 CB ASP A 41 -1.985 9.580 -13.422 1.00 24.23 C ATOM 645 CG ASP A 41 -1.758 9.979 -11.977 1.00 32.53 C ATOM 646 OD1 ASP A 41 -0.905 10.857 -11.730 1.00 31.23 O ATOM 647 OD2 ASP A 41 -2.435 9.413 -11.093 1.00 22.03 O ATOM 0 H ASP A 41 -1.488 9.717 -16.000 1.00 23.40 H new ATOM 0 HA ASP A 41 0.160 9.569 -13.552 1.00 11.20 H new ATOM 0 HB2 ASP A 41 -2.458 10.405 -13.954 1.00 24.23 H new ATOM 0 HB3 ASP A 41 -2.677 8.738 -13.459 1.00 24.23 H new ATOM 652 N VAL A 42 -1.047 7.132 -15.349 1.00 73.14 N ATOM 653 CA VAL A 42 -1.000 5.692 -15.571 1.00 73.44 C ATOM 654 C VAL A 42 -0.148 5.351 -16.788 1.00 64.34 C ATOM 655 O VAL A 42 -0.221 6.022 -17.818 1.00 20.32 O ATOM 656 CB VAL A 42 -2.412 5.108 -15.768 1.00 20.45 C ATOM 657 CG1 VAL A 42 -2.341 3.608 -16.010 1.00 24.30 C ATOM 658 CG2 VAL A 42 -3.289 5.420 -14.565 1.00 13.42 C ATOM 0 H VAL A 42 -1.468 7.663 -16.111 1.00 73.14 H new ATOM 0 HA VAL A 42 -0.552 5.249 -14.681 1.00 73.44 H new ATOM 0 HB VAL A 42 -2.859 5.573 -16.647 1.00 20.45 H new ATOM 0 HG11 VAL A 42 -3.348 3.213 -16.147 1.00 24.30 H new ATOM 0 HG12 VAL A 42 -1.750 3.411 -16.904 1.00 24.30 H new ATOM 0 HG13 VAL A 42 -1.875 3.123 -15.153 1.00 24.30 H new ATOM 0 HG21 VAL A 42 -4.283 5.000 -14.721 1.00 13.42 H new ATOM 0 HG22 VAL A 42 -2.847 4.983 -13.669 1.00 13.42 H new ATOM 0 HG23 VAL A 42 -3.367 6.500 -14.442 1.00 13.42 H new ATOM 668 N TRP A 43 0.660 4.304 -16.663 1.00 70.01 N ATOM 669 CA TRP A 43 1.527 3.873 -17.754 1.00 2.21 C ATOM 670 C TRP A 43 1.071 2.531 -18.314 1.00 72.34 C ATOM 671 O TRP A 43 1.180 1.500 -17.650 1.00 12.11 O ATOM 672 CB TRP A 43 2.975 3.773 -17.272 1.00 64.12 C ATOM 673 CG TRP A 43 3.937 4.555 -18.115 1.00 1.25 C ATOM 674 CD1 TRP A 43 3.763 5.822 -18.595 1.00 24.31 C ATOM 675 CD2 TRP A 43 5.221 4.121 -18.577 1.00 53.01 C ATOM 676 NE1 TRP A 43 4.862 6.201 -19.328 1.00 53.13 N ATOM 677 CE2 TRP A 43 5.770 5.176 -19.332 1.00 21.12 C ATOM 678 CE3 TRP A 43 5.960 2.945 -18.425 1.00 41.15 C ATOM 679 CZ2 TRP A 43 7.023 5.087 -19.933 1.00 10.03 C ATOM 680 CZ3 TRP A 43 7.203 2.858 -19.023 1.00 3.33 C ATOM 681 CH2 TRP A 43 7.725 3.924 -19.768 1.00 0.00 C ATOM 0 H TRP A 43 0.733 3.738 -15.818 1.00 70.01 H new ATOM 0 HA TRP A 43 1.466 4.616 -18.549 1.00 2.21 H new ATOM 0 HB2 TRP A 43 3.033 4.128 -16.243 1.00 64.12 H new ATOM 0 HB3 TRP A 43 3.277 2.726 -17.266 1.00 64.12 H new ATOM 0 HD1 TRP A 43 2.891 6.435 -18.424 1.00 24.31 H new ATOM 0 HE1 TRP A 43 4.982 7.100 -19.794 1.00 53.13 H new ATOM 0 HE3 TRP A 43 5.567 2.119 -17.851 1.00 41.15 H new ATOM 0 HZ2 TRP A 43 7.426 5.907 -20.509 1.00 10.03 H new ATOM 0 HZ3 TRP A 43 7.782 1.953 -18.914 1.00 3.33 H new ATOM 0 HH2 TRP A 43 8.701 3.826 -20.221 1.00 0.00 H new ATOM 692 N VAL A 44 0.559 2.549 -19.541 1.00 44.42 N ATOM 693 CA VAL A 44 0.088 1.333 -20.191 1.00 74.35 C ATOM 694 C VAL A 44 1.141 0.773 -21.141 1.00 0.21 C ATOM 695 O VAL A 44 1.488 1.403 -22.141 1.00 11.44 O ATOM 696 CB VAL A 44 -1.213 1.584 -20.977 1.00 15.25 C ATOM 697 CG1 VAL A 44 -1.662 0.317 -21.688 1.00 24.52 C ATOM 698 CG2 VAL A 44 -2.304 2.099 -20.049 1.00 22.20 C ATOM 0 H VAL A 44 0.460 3.393 -20.105 1.00 44.42 H new ATOM 0 HA VAL A 44 -0.107 0.608 -19.401 1.00 74.35 H new ATOM 0 HB VAL A 44 -1.019 2.346 -21.732 1.00 15.25 H new ATOM 0 HG11 VAL A 44 -2.582 0.515 -22.237 1.00 24.52 H new ATOM 0 HG12 VAL A 44 -0.886 -0.004 -22.383 1.00 24.52 H new ATOM 0 HG13 VAL A 44 -1.840 -0.469 -20.954 1.00 24.52 H new ATOM 0 HG21 VAL A 44 -3.216 2.271 -20.620 1.00 22.20 H new ATOM 0 HG22 VAL A 44 -2.497 1.361 -19.270 1.00 22.20 H new ATOM 0 HG23 VAL A 44 -1.981 3.034 -19.591 1.00 22.20 H new ATOM 708 N CYS A 45 1.646 -0.413 -20.822 1.00 71.42 N ATOM 709 CA CYS A 45 2.661 -1.059 -21.647 1.00 41.11 C ATOM 710 C CYS A 45 2.029 -2.081 -22.587 1.00 1.24 C ATOM 711 O CYS A 45 1.747 -3.212 -22.190 1.00 34.11 O ATOM 712 CB CYS A 45 3.708 -1.739 -20.764 1.00 65.03 C ATOM 713 SG CYS A 45 4.438 -0.654 -19.515 1.00 71.22 S ATOM 0 H CYS A 45 1.370 -0.947 -19.998 1.00 71.42 H new ATOM 0 HA CYS A 45 3.147 -0.291 -22.249 1.00 41.11 H new ATOM 0 HB2 CYS A 45 3.248 -2.592 -20.265 1.00 65.03 H new ATOM 0 HB3 CYS A 45 4.503 -2.131 -21.398 1.00 65.03 H new ATOM 0 HG CYS A 45 5.309 -1.320 -18.817 1.00 71.22 H new ATOM 719 N CYS A 46 1.809 -1.675 -23.832 1.00 15.52 N ATOM 720 CA CYS A 46 1.207 -2.554 -24.828 1.00 21.21 C ATOM 721 C CYS A 46 2.203 -3.612 -25.291 1.00 62.21 C ATOM 722 O CYS A 46 3.402 -3.511 -25.025 1.00 35.34 O ATOM 723 CB CYS A 46 0.714 -1.741 -26.026 1.00 4.03 C ATOM 724 SG CYS A 46 -0.704 -2.469 -26.879 1.00 1.20 S ATOM 0 H CYS A 46 2.038 -0.743 -24.176 1.00 15.52 H new ATOM 0 HA CYS A 46 0.357 -3.057 -24.366 1.00 21.21 H new ATOM 0 HB2 CYS A 46 0.446 -0.740 -25.687 1.00 4.03 H new ATOM 0 HB3 CYS A 46 1.533 -1.628 -26.736 1.00 4.03 H new ATOM 0 HG CYS A 46 -1.804 -2.052 -26.326 1.00 1.20 H new ATOM 730 N LEU A 47 1.700 -4.628 -25.984 1.00 50.54 N ATOM 731 CA LEU A 47 2.545 -5.706 -26.484 1.00 23.40 C ATOM 732 C LEU A 47 3.511 -5.194 -27.548 1.00 14.21 C ATOM 733 O LEU A 47 3.301 -4.145 -28.158 1.00 2.25 O ATOM 734 CB LEU A 47 1.683 -6.831 -27.060 1.00 44.04 C ATOM 735 CG LEU A 47 1.489 -6.818 -28.577 1.00 41.31 C ATOM 736 CD1 LEU A 47 0.682 -8.027 -29.022 1.00 53.05 C ATOM 737 CD2 LEU A 47 0.809 -5.529 -29.016 1.00 44.04 C ATOM 0 H LEU A 47 0.711 -4.727 -26.212 1.00 50.54 H new ATOM 0 HA LEU A 47 3.128 -6.094 -25.648 1.00 23.40 H new ATOM 0 HB2 LEU A 47 2.130 -7.785 -26.779 1.00 44.04 H new ATOM 0 HB3 LEU A 47 0.702 -6.788 -26.588 1.00 44.04 H new ATOM 0 HG LEU A 47 2.470 -6.868 -29.050 1.00 41.31 H new ATOM 0 HD11 LEU A 47 0.554 -8.001 -30.104 1.00 53.05 H new ATOM 0 HD12 LEU A 47 1.208 -8.939 -28.741 1.00 53.05 H new ATOM 0 HD13 LEU A 47 -0.296 -8.009 -28.541 1.00 53.05 H new ATOM 0 HD21 LEU A 47 0.679 -5.537 -30.098 1.00 44.04 H new ATOM 0 HD22 LEU A 47 -0.165 -5.449 -28.534 1.00 44.04 H new ATOM 0 HD23 LEU A 47 1.426 -4.677 -28.731 1.00 44.04 H new ATOM 749 N PRO A 48 4.593 -5.951 -27.779 1.00 63.01 N ATOM 750 CA PRO A 48 5.611 -5.595 -28.772 1.00 42.40 C ATOM 751 C PRO A 48 5.096 -5.722 -30.202 1.00 1.34 C ATOM 752 O PRO A 48 4.902 -6.828 -30.705 1.00 75.12 O ATOM 753 CB PRO A 48 6.729 -6.609 -28.514 1.00 54.42 C ATOM 754 CG PRO A 48 6.044 -7.778 -27.896 1.00 75.22 C ATOM 755 CD PRO A 48 4.907 -7.214 -27.090 1.00 11.25 C ATOM 0 HA PRO A 48 5.928 -4.557 -28.676 1.00 42.40 H new ATOM 0 HB2 PRO A 48 7.231 -6.889 -29.440 1.00 54.42 H new ATOM 0 HB3 PRO A 48 7.490 -6.199 -27.850 1.00 54.42 H new ATOM 0 HG2 PRO A 48 5.678 -8.464 -28.660 1.00 75.22 H new ATOM 0 HG3 PRO A 48 6.729 -8.342 -27.263 1.00 75.22 H new ATOM 0 HD2 PRO A 48 4.051 -7.888 -27.077 1.00 11.25 H new ATOM 0 HD3 PRO A 48 5.195 -7.045 -26.053 1.00 11.25 H new ATOM 763 N ARG A 49 4.878 -4.583 -30.850 1.00 55.44 N ATOM 764 CA ARG A 49 4.384 -4.567 -32.222 1.00 62.22 C ATOM 765 C ARG A 49 4.695 -3.234 -32.897 1.00 23.41 C ATOM 766 O ARG A 49 4.956 -3.182 -34.099 1.00 52.30 O ATOM 767 CB ARG A 49 2.876 -4.824 -32.247 1.00 43.04 C ATOM 768 CG ARG A 49 2.051 -3.656 -31.732 1.00 30.43 C ATOM 769 CD ARG A 49 1.608 -2.744 -32.865 1.00 3.33 C ATOM 770 NE ARG A 49 0.191 -2.403 -32.771 1.00 4.41 N ATOM 771 CZ ARG A 49 -0.312 -1.605 -31.836 1.00 11.13 C ATOM 772 NH1 ARG A 49 0.482 -1.069 -30.919 1.00 51.32 N ATOM 773 NH2 ARG A 49 -1.612 -1.342 -31.816 1.00 55.42 N ATOM 0 H ARG A 49 5.035 -3.659 -30.448 1.00 55.44 H new ATOM 0 HA ARG A 49 4.890 -5.360 -32.773 1.00 62.22 H new ATOM 0 HB2 ARG A 49 2.571 -5.051 -33.269 1.00 43.04 H new ATOM 0 HB3 ARG A 49 2.656 -5.706 -31.646 1.00 43.04 H new ATOM 0 HG2 ARG A 49 1.175 -4.033 -31.203 1.00 30.43 H new ATOM 0 HG3 ARG A 49 2.637 -3.085 -31.012 1.00 30.43 H new ATOM 0 HD2 ARG A 49 2.203 -1.831 -32.849 1.00 3.33 H new ATOM 0 HD3 ARG A 49 1.801 -3.233 -33.820 1.00 3.33 H new ATOM 0 HE ARG A 49 -0.447 -2.799 -33.461 1.00 4.41 H new ATOM 0 HH11 ARG A 49 1.482 -1.269 -30.930 1.00 51.32 H new ATOM 0 HH12 ARG A 49 0.093 -0.457 -30.202 1.00 51.32 H new ATOM 0 HH21 ARG A 49 -2.226 -1.753 -32.519 1.00 55.42 H new ATOM 0 HH22 ARG A 49 -1.997 -0.729 -31.098 1.00 55.42 H new ATOM 787 N ASP A 50 4.666 -2.161 -32.115 1.00 54.44 N ATOM 788 CA ASP A 50 4.945 -0.828 -32.637 1.00 11.43 C ATOM 789 C ASP A 50 6.262 -0.292 -32.083 1.00 33.31 C ATOM 790 O ASP A 50 6.556 0.898 -32.195 1.00 71.44 O ATOM 791 CB ASP A 50 3.804 0.129 -32.287 1.00 51.35 C ATOM 792 CG ASP A 50 3.125 0.695 -33.519 1.00 71.34 C ATOM 793 OD1 ASP A 50 2.725 -0.101 -34.395 1.00 62.31 O ATOM 794 OD2 ASP A 50 2.992 1.933 -33.608 1.00 4.14 O ATOM 0 H ASP A 50 4.452 -2.188 -31.118 1.00 54.44 H new ATOM 0 HA ASP A 50 5.030 -0.900 -33.721 1.00 11.43 H new ATOM 0 HB2 ASP A 50 3.067 -0.396 -31.678 1.00 51.35 H new ATOM 0 HB3 ASP A 50 4.193 0.948 -31.682 1.00 51.35 H new ATOM 799 N SER A 51 7.050 -1.179 -31.484 1.00 31.23 N ATOM 800 CA SER A 51 8.333 -0.795 -30.908 1.00 23.13 C ATOM 801 C SER A 51 8.134 0.053 -29.655 1.00 45.34 C ATOM 802 O SER A 51 8.498 1.230 -29.624 1.00 71.10 O ATOM 803 CB SER A 51 9.166 -0.024 -31.933 1.00 41.43 C ATOM 804 OG SER A 51 10.552 -0.174 -31.681 1.00 45.03 O ATOM 0 H SER A 51 6.822 -2.168 -31.385 1.00 31.23 H new ATOM 0 HA SER A 51 8.865 -1.705 -30.629 1.00 23.13 H new ATOM 0 HB2 SER A 51 8.935 -0.381 -32.937 1.00 41.43 H new ATOM 0 HB3 SER A 51 8.900 1.033 -31.902 1.00 41.43 H new ATOM 0 HG SER A 51 11.062 0.327 -32.351 1.00 45.03 H new ATOM 810 N LEU A 52 7.555 -0.552 -28.624 1.00 41.25 N ATOM 811 CA LEU A 52 7.307 0.147 -27.368 1.00 20.40 C ATOM 812 C LEU A 52 6.295 1.272 -27.561 1.00 22.41 C ATOM 813 O LEU A 52 6.662 2.444 -27.648 1.00 2.01 O ATOM 814 CB LEU A 52 8.614 0.711 -26.809 1.00 1.22 C ATOM 815 CG LEU A 52 9.208 -0.031 -25.611 1.00 62.45 C ATOM 816 CD1 LEU A 52 9.356 -1.513 -25.922 1.00 44.31 C ATOM 817 CD2 LEU A 52 10.551 0.571 -25.223 1.00 34.21 C ATOM 0 H LEU A 52 7.249 -1.525 -28.633 1.00 41.25 H new ATOM 0 HA LEU A 52 6.894 -0.569 -26.657 1.00 20.40 H new ATOM 0 HB2 LEU A 52 9.354 0.719 -27.609 1.00 1.22 H new ATOM 0 HB3 LEU A 52 8.445 1.748 -26.521 1.00 1.22 H new ATOM 0 HG LEU A 52 8.527 0.076 -24.767 1.00 62.45 H new ATOM 0 HD11 LEU A 52 9.780 -2.025 -25.058 1.00 44.31 H new ATOM 0 HD12 LEU A 52 8.378 -1.936 -26.151 1.00 44.31 H new ATOM 0 HD13 LEU A 52 10.016 -1.641 -26.780 1.00 44.31 H new ATOM 0 HD21 LEU A 52 10.959 0.031 -24.369 1.00 34.21 H new ATOM 0 HD22 LEU A 52 11.241 0.494 -26.064 1.00 34.21 H new ATOM 0 HD23 LEU A 52 10.417 1.620 -24.958 1.00 34.21 H new ATOM 829 N THR A 53 5.018 0.908 -27.625 1.00 61.41 N ATOM 830 CA THR A 53 3.953 1.886 -27.806 1.00 72.53 C ATOM 831 C THR A 53 3.334 2.279 -26.470 1.00 22.22 C ATOM 832 O THR A 53 2.121 2.467 -26.367 1.00 22.53 O ATOM 833 CB THR A 53 2.846 1.346 -28.732 1.00 64.13 C ATOM 834 OG1 THR A 53 3.323 0.201 -29.449 1.00 54.42 O ATOM 835 CG2 THR A 53 2.395 2.415 -29.716 1.00 33.12 C ATOM 0 H THR A 53 4.696 -0.057 -27.554 1.00 61.41 H new ATOM 0 HA THR A 53 4.406 2.764 -28.266 1.00 72.53 H new ATOM 0 HB THR A 53 1.994 1.059 -28.115 1.00 64.13 H new ATOM 0 HG1 THR A 53 2.677 -0.531 -29.363 1.00 54.42 H new ATOM 0 HG21 THR A 53 1.613 2.011 -30.359 1.00 33.12 H new ATOM 0 HG22 THR A 53 2.006 3.273 -29.168 1.00 33.12 H new ATOM 0 HG23 THR A 53 3.242 2.728 -30.327 1.00 33.12 H new ATOM 843 N LEU A 54 4.174 2.403 -25.448 1.00 62.32 N ATOM 844 CA LEU A 54 3.709 2.775 -24.116 1.00 44.04 C ATOM 845 C LEU A 54 2.881 4.054 -24.167 1.00 15.51 C ATOM 846 O LEU A 54 3.340 5.085 -24.659 1.00 24.12 O ATOM 847 CB LEU A 54 4.899 2.961 -23.173 1.00 42.52 C ATOM 848 CG LEU A 54 5.966 1.866 -23.213 1.00 53.45 C ATOM 849 CD1 LEU A 54 7.291 2.430 -23.703 1.00 32.40 C ATOM 850 CD2 LEU A 54 6.129 1.230 -21.841 1.00 10.22 C ATOM 0 H LEU A 54 5.180 2.251 -25.516 1.00 62.32 H new ATOM 0 HA LEU A 54 3.078 1.970 -23.740 1.00 44.04 H new ATOM 0 HB2 LEU A 54 5.376 3.913 -23.406 1.00 42.52 H new ATOM 0 HB3 LEU A 54 4.521 3.035 -22.153 1.00 42.52 H new ATOM 0 HG LEU A 54 5.642 1.095 -23.912 1.00 53.45 H new ATOM 0 HD11 LEU A 54 8.038 1.637 -23.725 1.00 32.40 H new ATOM 0 HD12 LEU A 54 7.164 2.837 -24.706 1.00 32.40 H new ATOM 0 HD13 LEU A 54 7.621 3.221 -23.029 1.00 32.40 H new ATOM 0 HD21 LEU A 54 6.892 0.453 -21.888 1.00 10.22 H new ATOM 0 HD22 LEU A 54 6.430 1.991 -21.121 1.00 10.22 H new ATOM 0 HD23 LEU A 54 5.182 0.790 -21.529 1.00 10.22 H new ATOM 862 N SER A 55 1.657 3.981 -23.653 1.00 11.52 N ATOM 863 CA SER A 55 0.763 5.133 -23.641 1.00 11.43 C ATOM 864 C SER A 55 0.503 5.604 -22.213 1.00 34.01 C ATOM 865 O SER A 55 0.062 4.830 -21.363 1.00 44.23 O ATOM 866 CB SER A 55 -0.561 4.786 -24.324 1.00 63.44 C ATOM 867 OG SER A 55 -0.821 5.662 -25.408 1.00 23.54 O ATOM 0 H SER A 55 1.262 3.136 -23.240 1.00 11.52 H new ATOM 0 HA SER A 55 1.246 5.941 -24.190 1.00 11.43 H new ATOM 0 HB2 SER A 55 -0.530 3.757 -24.683 1.00 63.44 H new ATOM 0 HB3 SER A 55 -1.374 4.847 -23.600 1.00 63.44 H new ATOM 0 HG SER A 55 -1.672 5.418 -25.829 1.00 23.54 H new ATOM 873 N ALA A 56 0.778 6.879 -21.957 1.00 65.42 N ATOM 874 CA ALA A 56 0.573 7.454 -20.634 1.00 12.12 C ATOM 875 C ALA A 56 -0.572 8.461 -20.645 1.00 41.51 C ATOM 876 O ALA A 56 -0.737 9.217 -21.602 1.00 42.13 O ATOM 877 CB ALA A 56 1.853 8.112 -20.140 1.00 14.12 C ATOM 0 H ALA A 56 1.143 7.533 -22.649 1.00 65.42 H new ATOM 0 HA ALA A 56 0.306 6.647 -19.952 1.00 12.12 H new ATOM 0 HB1 ALA A 56 1.685 8.537 -19.151 1.00 14.12 H new ATOM 0 HB2 ALA A 56 2.647 7.367 -20.085 1.00 14.12 H new ATOM 0 HB3 ALA A 56 2.145 8.903 -20.830 1.00 14.12 H new ATOM 883 N ALA A 57 -1.361 8.466 -19.575 1.00 45.04 N ATOM 884 CA ALA A 57 -2.489 9.382 -19.462 1.00 71.43 C ATOM 885 C ALA A 57 -2.847 9.634 -18.002 1.00 2.14 C ATOM 886 O ALA A 57 -2.807 8.722 -17.177 1.00 13.33 O ATOM 887 CB ALA A 57 -3.692 8.832 -20.215 1.00 1.30 C ATOM 0 H ALA A 57 -1.239 7.846 -18.774 1.00 45.04 H new ATOM 0 HA ALA A 57 -2.199 10.334 -19.907 1.00 71.43 H new ATOM 0 HB1 ALA A 57 -4.528 9.526 -20.122 1.00 1.30 H new ATOM 0 HB2 ALA A 57 -3.437 8.709 -21.268 1.00 1.30 H new ATOM 0 HB3 ALA A 57 -3.974 7.867 -19.795 1.00 1.30 H new ATOM 893 N ASN A 58 -3.195 10.878 -17.689 1.00 33.00 N ATOM 894 CA ASN A 58 -3.559 11.250 -16.327 1.00 1.44 C ATOM 895 C ASN A 58 -5.018 11.691 -16.254 1.00 21.40 C ATOM 896 O ASN A 58 -5.367 12.790 -16.683 1.00 13.20 O ATOM 897 CB ASN A 58 -2.650 12.373 -15.823 1.00 10.41 C ATOM 898 CG ASN A 58 -3.057 12.875 -14.451 1.00 53.41 C ATOM 899 OD1 ASN A 58 -3.853 12.242 -13.757 1.00 51.22 O ATOM 900 ND2 ASN A 58 -2.512 14.019 -14.054 1.00 0.21 N ATOM 0 H ASN A 58 -3.233 11.645 -18.360 1.00 33.00 H new ATOM 0 HA ASN A 58 -3.431 10.374 -15.691 1.00 1.44 H new ATOM 0 HB2 ASN A 58 -1.621 12.015 -15.785 1.00 10.41 H new ATOM 0 HB3 ASN A 58 -2.673 13.201 -16.531 1.00 10.41 H new ATOM 0 HD21 ASN A 58 -2.749 14.407 -13.141 1.00 0.21 H new ATOM 0 HD22 ASN A 58 -1.857 14.510 -14.662 1.00 0.21 H new ATOM 907 N SER A 59 -5.865 10.824 -15.707 1.00 51.45 N ATOM 908 CA SER A 59 -7.287 11.122 -15.581 1.00 71.01 C ATOM 909 C SER A 59 -7.879 11.525 -16.928 1.00 75.01 C ATOM 910 O SER A 59 -8.803 12.335 -16.994 1.00 35.12 O ATOM 911 CB SER A 59 -7.507 12.239 -14.560 1.00 11.44 C ATOM 912 OG SER A 59 -8.827 12.206 -14.044 1.00 4.31 O ATOM 0 H SER A 59 -5.591 9.911 -15.345 1.00 51.45 H new ATOM 0 HA SER A 59 -7.793 10.220 -15.237 1.00 71.01 H new ATOM 0 HB2 SER A 59 -6.792 12.136 -13.744 1.00 11.44 H new ATOM 0 HB3 SER A 59 -7.320 13.206 -15.028 1.00 11.44 H new ATOM 0 HG SER A 59 -9.468 12.235 -14.784 1.00 4.31 H new ATOM 918 N GLU A 60 -7.340 10.953 -18.000 1.00 3.01 N ATOM 919 CA GLU A 60 -7.814 11.253 -19.346 1.00 11.23 C ATOM 920 C GLU A 60 -8.389 10.006 -20.011 1.00 24.21 C ATOM 921 O GLU A 60 -9.266 10.096 -20.870 1.00 64.43 O ATOM 922 CB GLU A 60 -6.676 11.820 -20.197 1.00 11.41 C ATOM 923 CG GLU A 60 -6.452 13.310 -19.999 1.00 1.03 C ATOM 924 CD GLU A 60 -5.471 13.890 -20.998 1.00 45.45 C ATOM 925 OE1 GLU A 60 -4.583 14.663 -20.578 1.00 74.52 O ATOM 926 OE2 GLU A 60 -5.589 13.573 -22.200 1.00 54.02 O ATOM 0 H GLU A 60 -6.575 10.279 -17.963 1.00 3.01 H new ATOM 0 HA GLU A 60 -8.605 11.999 -19.267 1.00 11.23 H new ATOM 0 HB2 GLU A 60 -5.755 11.288 -19.958 1.00 11.41 H new ATOM 0 HB3 GLU A 60 -6.891 11.630 -21.249 1.00 11.41 H new ATOM 0 HG2 GLU A 60 -7.405 13.832 -20.087 1.00 1.03 H new ATOM 0 HG3 GLU A 60 -6.083 13.487 -18.989 1.00 1.03 H new ATOM 933 N ASP A 61 -7.887 8.844 -19.608 1.00 33.43 N ATOM 934 CA ASP A 61 -8.350 7.577 -20.163 1.00 51.25 C ATOM 935 C ASP A 61 -9.546 7.045 -19.380 1.00 23.50 C ATOM 936 O ASP A 61 -9.401 6.579 -18.250 1.00 53.40 O ATOM 937 CB ASP A 61 -7.219 6.548 -20.154 1.00 62.11 C ATOM 938 CG ASP A 61 -7.596 5.266 -20.871 1.00 12.35 C ATOM 939 OD1 ASP A 61 -8.599 5.275 -21.615 1.00 14.43 O ATOM 940 OD2 ASP A 61 -6.888 4.254 -20.688 1.00 11.32 O ATOM 0 H ASP A 61 -7.159 8.753 -18.899 1.00 33.43 H new ATOM 0 HA ASP A 61 -8.662 7.752 -21.192 1.00 51.25 H new ATOM 0 HB2 ASP A 61 -6.336 6.979 -20.626 1.00 62.11 H new ATOM 0 HB3 ASP A 61 -6.949 6.318 -19.123 1.00 62.11 H new ATOM 945 N GLU A 62 -10.725 7.117 -19.988 1.00 55.33 N ATOM 946 CA GLU A 62 -11.946 6.644 -19.346 1.00 21.11 C ATOM 947 C GLU A 62 -12.895 6.026 -20.369 1.00 22.01 C ATOM 948 O GLU A 62 -14.066 5.784 -20.079 1.00 43.20 O ATOM 949 CB GLU A 62 -12.644 7.794 -18.616 1.00 64.32 C ATOM 950 CG GLU A 62 -13.200 8.857 -19.548 1.00 1.32 C ATOM 951 CD GLU A 62 -13.888 9.984 -18.802 1.00 1.20 C ATOM 952 OE1 GLU A 62 -13.331 11.102 -18.772 1.00 22.45 O ATOM 953 OE2 GLU A 62 -14.982 9.749 -18.249 1.00 13.12 O ATOM 0 H GLU A 62 -10.861 7.498 -20.924 1.00 55.33 H new ATOM 0 HA GLU A 62 -11.671 5.877 -18.622 1.00 21.11 H new ATOM 0 HB2 GLU A 62 -13.457 7.390 -18.013 1.00 64.32 H new ATOM 0 HB3 GLU A 62 -11.938 8.259 -17.928 1.00 64.32 H new ATOM 0 HG2 GLU A 62 -12.389 9.267 -20.151 1.00 1.32 H new ATOM 0 HG3 GLU A 62 -13.908 8.397 -20.237 1.00 1.32 H new ATOM 960 N GLY A 63 -12.380 5.773 -21.568 1.00 44.44 N ATOM 961 CA GLY A 63 -13.194 5.187 -22.617 1.00 22.11 C ATOM 962 C GLY A 63 -13.705 3.808 -22.251 1.00 34.24 C ATOM 963 O GLY A 63 -14.661 3.677 -21.486 1.00 70.13 O ATOM 0 H GLY A 63 -11.413 5.963 -21.832 1.00 44.44 H new ATOM 0 HA2 GLY A 63 -14.040 5.842 -22.824 1.00 22.11 H new ATOM 0 HA3 GLY A 63 -12.608 5.123 -23.534 1.00 22.11 H new ATOM 967 N GLN A 64 -13.069 2.778 -22.798 1.00 70.53 N ATOM 968 CA GLN A 64 -13.468 1.402 -22.526 1.00 61.31 C ATOM 969 C GLN A 64 -12.270 0.564 -22.092 1.00 31.54 C ATOM 970 O GLN A 64 -11.264 0.488 -22.798 1.00 12.21 O ATOM 971 CB GLN A 64 -14.117 0.782 -23.765 1.00 24.21 C ATOM 972 CG GLN A 64 -14.349 -0.716 -23.645 1.00 54.40 C ATOM 973 CD GLN A 64 -15.745 -1.125 -24.073 1.00 21.43 C ATOM 974 OE1 GLN A 64 -15.915 -1.913 -25.004 1.00 31.23 O ATOM 975 NE2 GLN A 64 -16.753 -0.592 -23.393 1.00 53.32 N ATOM 0 H GLN A 64 -12.275 2.870 -23.432 1.00 70.53 H new ATOM 0 HA GLN A 64 -14.194 1.415 -21.713 1.00 61.31 H new ATOM 0 HB2 GLN A 64 -15.071 1.275 -23.951 1.00 24.21 H new ATOM 0 HB3 GLN A 64 -13.484 0.975 -24.631 1.00 24.21 H new ATOM 0 HG2 GLN A 64 -13.616 -1.244 -24.256 1.00 54.40 H new ATOM 0 HG3 GLN A 64 -14.184 -1.024 -22.612 1.00 54.40 H new ATOM 0 HE21 GLN A 64 -16.566 0.057 -22.629 1.00 53.32 H new ATOM 0 HE22 GLN A 64 -17.715 -0.831 -23.635 1.00 53.32 H new ATOM 984 N ILE A 65 -12.385 -0.064 -20.926 1.00 40.10 N ATOM 985 CA ILE A 65 -11.312 -0.897 -20.398 1.00 64.04 C ATOM 986 C ILE A 65 -11.864 -2.171 -19.767 1.00 42.51 C ATOM 987 O ILE A 65 -12.922 -2.155 -19.138 1.00 61.20 O ATOM 988 CB ILE A 65 -10.474 -0.140 -19.351 1.00 51.31 C ATOM 989 CG1 ILE A 65 -9.386 -1.051 -18.780 1.00 63.24 C ATOM 990 CG2 ILE A 65 -11.368 0.388 -18.239 1.00 30.43 C ATOM 991 CD1 ILE A 65 -8.075 -0.341 -18.526 1.00 45.24 C ATOM 0 H ILE A 65 -13.211 -0.011 -20.329 1.00 40.10 H new ATOM 0 HA ILE A 65 -10.673 -1.160 -21.241 1.00 64.04 H new ATOM 0 HB ILE A 65 -9.992 0.708 -19.837 1.00 51.31 H new ATOM 0 HG12 ILE A 65 -9.741 -1.486 -17.846 1.00 63.24 H new ATOM 0 HG13 ILE A 65 -9.215 -1.876 -19.471 1.00 63.24 H new ATOM 0 HG21 ILE A 65 -10.761 0.921 -17.507 1.00 30.43 H new ATOM 0 HG22 ILE A 65 -12.109 1.068 -18.660 1.00 30.43 H new ATOM 0 HG23 ILE A 65 -11.875 -0.446 -17.753 1.00 30.43 H new ATOM 0 HD11 ILE A 65 -7.351 -1.048 -18.122 1.00 45.24 H new ATOM 0 HD12 ILE A 65 -7.697 0.071 -19.462 1.00 45.24 H new ATOM 0 HD13 ILE A 65 -8.231 0.467 -17.811 1.00 45.24 H new ATOM 1003 N ARG A 66 -11.139 -3.271 -19.938 1.00 31.41 N ATOM 1004 CA ARG A 66 -11.556 -4.554 -19.384 1.00 70.12 C ATOM 1005 C ARG A 66 -10.444 -5.169 -18.539 1.00 51.32 C ATOM 1006 O ARG A 66 -9.260 -4.991 -18.828 1.00 75.44 O ATOM 1007 CB ARG A 66 -11.948 -5.515 -20.508 1.00 30.42 C ATOM 1008 CG ARG A 66 -12.943 -6.581 -20.078 1.00 52.11 C ATOM 1009 CD ARG A 66 -14.192 -6.558 -20.945 1.00 73.52 C ATOM 1010 NE ARG A 66 -14.014 -7.314 -22.182 1.00 63.20 N ATOM 1011 CZ ARG A 66 -15.013 -7.642 -22.994 1.00 23.02 C ATOM 1012 NH1 ARG A 66 -16.255 -7.282 -22.701 1.00 44.31 N ATOM 1013 NH2 ARG A 66 -14.770 -8.331 -24.102 1.00 33.25 N ATOM 0 H ARG A 66 -10.260 -3.300 -20.455 1.00 31.41 H new ATOM 0 HA ARG A 66 -12.421 -4.381 -18.744 1.00 70.12 H new ATOM 0 HB2 ARG A 66 -12.375 -4.943 -21.332 1.00 30.42 H new ATOM 0 HB3 ARG A 66 -11.050 -6.001 -20.889 1.00 30.42 H new ATOM 0 HG2 ARG A 66 -12.475 -7.563 -20.139 1.00 52.11 H new ATOM 0 HG3 ARG A 66 -13.219 -6.423 -19.035 1.00 52.11 H new ATOM 0 HD2 ARG A 66 -15.030 -6.972 -20.384 1.00 73.52 H new ATOM 0 HD3 ARG A 66 -14.448 -5.526 -21.185 1.00 73.52 H new ATOM 0 HE ARG A 66 -13.070 -7.606 -22.436 1.00 63.20 H new ATOM 0 HH11 ARG A 66 -16.445 -6.752 -21.851 1.00 44.31 H new ATOM 0 HH12 ARG A 66 -17.020 -7.535 -23.326 1.00 44.31 H new ATOM 0 HH21 ARG A 66 -13.816 -8.609 -24.331 1.00 33.25 H new ATOM 0 HH22 ARG A 66 -15.538 -8.582 -24.725 1.00 33.25 H new ATOM 1027 N TYR A 67 -10.833 -5.891 -17.494 1.00 42.32 N ATOM 1028 CA TYR A 67 -9.869 -6.529 -16.605 1.00 73.03 C ATOM 1029 C TYR A 67 -9.509 -7.925 -17.104 1.00 73.15 C ATOM 1030 O TYR A 67 -10.362 -8.810 -17.179 1.00 54.45 O ATOM 1031 CB TYR A 67 -10.431 -6.612 -15.185 1.00 72.31 C ATOM 1032 CG TYR A 67 -10.882 -5.279 -14.633 1.00 50.32 C ATOM 1033 CD1 TYR A 67 -12.200 -4.859 -14.768 1.00 2.13 C ATOM 1034 CD2 TYR A 67 -9.990 -4.438 -13.978 1.00 75.32 C ATOM 1035 CE1 TYR A 67 -12.616 -3.641 -14.266 1.00 32.03 C ATOM 1036 CE2 TYR A 67 -10.398 -3.220 -13.472 1.00 13.43 C ATOM 1037 CZ TYR A 67 -11.712 -2.825 -13.618 1.00 60.21 C ATOM 1038 OH TYR A 67 -12.122 -1.611 -13.116 1.00 62.33 O ATOM 0 H TYR A 67 -11.809 -6.049 -17.242 1.00 42.32 H new ATOM 0 HA TYR A 67 -8.964 -5.922 -16.596 1.00 73.03 H new ATOM 0 HB2 TYR A 67 -11.274 -7.303 -15.177 1.00 72.31 H new ATOM 0 HB3 TYR A 67 -9.670 -7.030 -14.526 1.00 72.31 H new ATOM 0 HD1 TYR A 67 -12.911 -5.496 -15.274 1.00 2.13 H new ATOM 0 HD2 TYR A 67 -8.960 -4.743 -13.863 1.00 75.32 H new ATOM 0 HE1 TYR A 67 -13.644 -3.329 -14.380 1.00 32.03 H new ATOM 0 HE2 TYR A 67 -9.692 -2.579 -12.964 1.00 13.43 H new ATOM 0 HH TYR A 67 -11.364 -1.161 -12.689 1.00 62.33 H new ATOM 1048 N PHE A 68 -8.239 -8.115 -17.444 1.00 63.33 N ATOM 1049 CA PHE A 68 -7.764 -9.403 -17.937 1.00 3.01 C ATOM 1050 C PHE A 68 -6.962 -10.134 -16.864 1.00 1.43 C ATOM 1051 O PHE A 68 -6.223 -9.516 -16.096 1.00 14.44 O ATOM 1052 CB PHE A 68 -6.904 -9.209 -19.188 1.00 13.11 C ATOM 1053 CG PHE A 68 -7.365 -10.022 -20.364 1.00 11.22 C ATOM 1054 CD1 PHE A 68 -8.674 -9.938 -20.810 1.00 71.42 C ATOM 1055 CD2 PHE A 68 -6.489 -10.870 -21.022 1.00 54.14 C ATOM 1056 CE1 PHE A 68 -9.101 -10.685 -21.892 1.00 54.13 C ATOM 1057 CE2 PHE A 68 -6.911 -11.618 -22.105 1.00 62.31 C ATOM 1058 CZ PHE A 68 -8.219 -11.527 -22.540 1.00 4.31 C ATOM 0 H PHE A 68 -7.520 -7.394 -17.387 1.00 63.33 H new ATOM 0 HA PHE A 68 -8.633 -10.009 -18.192 1.00 3.01 H new ATOM 0 HB2 PHE A 68 -6.908 -8.154 -19.462 1.00 13.11 H new ATOM 0 HB3 PHE A 68 -5.873 -9.474 -18.955 1.00 13.11 H new ATOM 0 HD1 PHE A 68 -9.369 -9.282 -20.307 1.00 71.42 H new ATOM 0 HD2 PHE A 68 -5.466 -10.947 -20.685 1.00 54.14 H new ATOM 0 HE1 PHE A 68 -10.124 -10.610 -22.230 1.00 54.13 H new ATOM 0 HE2 PHE A 68 -6.218 -12.274 -22.611 1.00 62.31 H new ATOM 0 HZ PHE A 68 -8.551 -12.113 -23.385 1.00 4.31 H new ATOM 1068 N LEU A 69 -7.113 -11.453 -16.816 1.00 51.53 N ATOM 1069 CA LEU A 69 -6.404 -12.269 -15.837 1.00 71.23 C ATOM 1070 C LEU A 69 -6.750 -13.745 -16.007 1.00 21.15 C ATOM 1071 O LEU A 69 -5.889 -14.582 -16.279 1.00 33.55 O ATOM 1072 CB LEU A 69 -6.748 -11.813 -14.418 1.00 42.43 C ATOM 1073 CG LEU A 69 -5.604 -11.189 -13.618 1.00 43.24 C ATOM 1074 CD1 LEU A 69 -6.149 -10.301 -12.511 1.00 10.14 C ATOM 1075 CD2 LEU A 69 -4.703 -12.272 -13.042 1.00 15.21 C ATOM 0 H LEU A 69 -7.720 -11.980 -17.444 1.00 51.53 H new ATOM 0 HA LEU A 69 -5.334 -12.144 -16.002 1.00 71.23 H new ATOM 0 HB2 LEU A 69 -7.560 -11.089 -14.477 1.00 42.43 H new ATOM 0 HB3 LEU A 69 -7.126 -12.672 -13.864 1.00 42.43 H new ATOM 0 HG LEU A 69 -5.010 -10.571 -14.291 1.00 43.24 H new ATOM 0 HD11 LEU A 69 -5.320 -9.866 -11.953 1.00 10.14 H new ATOM 0 HD12 LEU A 69 -6.751 -9.504 -12.947 1.00 10.14 H new ATOM 0 HD13 LEU A 69 -6.767 -10.896 -11.838 1.00 10.14 H new ATOM 0 HD21 LEU A 69 -3.894 -11.810 -12.476 1.00 15.21 H new ATOM 0 HD22 LEU A 69 -5.285 -12.917 -12.383 1.00 15.21 H new ATOM 0 HD23 LEU A 69 -4.284 -12.866 -13.854 1.00 15.21 H new ATOM 1087 N PRO A 70 -8.040 -14.073 -15.844 1.00 74.24 N ATOM 1088 CA PRO A 70 -8.530 -15.448 -15.977 1.00 73.44 C ATOM 1089 C PRO A 70 -8.484 -15.943 -17.419 1.00 32.30 C ATOM 1090 O PRO A 70 -8.658 -17.133 -17.683 1.00 21.34 O ATOM 1091 CB PRO A 70 -9.978 -15.358 -15.489 1.00 52.22 C ATOM 1092 CG PRO A 70 -10.369 -13.940 -15.724 1.00 11.53 C ATOM 1093 CD PRO A 70 -9.121 -13.127 -15.519 1.00 44.33 C ATOM 0 HA PRO A 70 -7.919 -16.154 -15.414 1.00 73.44 H new ATOM 0 HB2 PRO A 70 -10.624 -16.043 -16.038 1.00 52.22 H new ATOM 0 HB3 PRO A 70 -10.057 -15.621 -14.434 1.00 52.22 H new ATOM 0 HG2 PRO A 70 -10.761 -13.805 -16.732 1.00 11.53 H new ATOM 0 HG3 PRO A 70 -11.153 -13.632 -15.033 1.00 11.53 H new ATOM 0 HD2 PRO A 70 -9.099 -12.253 -16.170 1.00 44.33 H new ATOM 0 HD3 PRO A 70 -9.042 -12.763 -14.494 1.00 44.33 H new ATOM 1101 N ASP A 71 -8.249 -15.023 -18.348 1.00 62.50 N ATOM 1102 CA ASP A 71 -8.178 -15.367 -19.764 1.00 32.05 C ATOM 1103 C ASP A 71 -9.408 -16.162 -20.192 1.00 1.32 C ATOM 1104 O ASP A 71 -9.323 -17.043 -21.047 1.00 44.13 O ATOM 1105 CB ASP A 71 -6.910 -16.171 -20.052 1.00 62.34 C ATOM 1106 CG ASP A 71 -5.734 -15.721 -19.208 1.00 21.10 C ATOM 1107 OD1 ASP A 71 -5.156 -16.568 -18.495 1.00 70.50 O ATOM 1108 OD2 ASP A 71 -5.391 -14.522 -19.261 1.00 1.34 O ATOM 0 H ASP A 71 -8.104 -14.034 -18.147 1.00 62.50 H new ATOM 0 HA ASP A 71 -8.149 -14.440 -20.337 1.00 32.05 H new ATOM 0 HB2 ASP A 71 -7.103 -17.228 -19.866 1.00 62.34 H new ATOM 0 HB3 ASP A 71 -6.654 -16.074 -21.107 1.00 62.34 H new ATOM 1113 N ARG A 72 -10.550 -15.845 -19.591 1.00 1.25 N ATOM 1114 CA ARG A 72 -11.797 -16.531 -19.908 1.00 44.30 C ATOM 1115 C ARG A 72 -12.923 -15.529 -20.144 1.00 35.34 C ATOM 1116 O ARG A 72 -14.102 -15.867 -20.029 1.00 62.32 O ATOM 1117 CB ARG A 72 -12.179 -17.488 -18.778 1.00 22.22 C ATOM 1118 CG ARG A 72 -11.498 -18.844 -18.872 1.00 2.14 C ATOM 1119 CD ARG A 72 -11.518 -19.571 -17.536 1.00 43.21 C ATOM 1120 NE ARG A 72 -10.318 -20.379 -17.335 1.00 72.42 N ATOM 1121 CZ ARG A 72 -10.207 -21.307 -16.391 1.00 72.53 C ATOM 1122 NH1 ARG A 72 -11.218 -21.543 -15.567 1.00 32.34 N ATOM 1123 NH2 ARG A 72 -9.083 -22.002 -16.271 1.00 71.33 N ATOM 0 H ARG A 72 -10.638 -15.117 -18.882 1.00 1.25 H new ATOM 0 HA ARG A 72 -11.646 -17.103 -20.823 1.00 44.30 H new ATOM 0 HB2 ARG A 72 -11.925 -17.029 -17.823 1.00 22.22 H new ATOM 0 HB3 ARG A 72 -13.259 -17.632 -18.785 1.00 22.22 H new ATOM 0 HG2 ARG A 72 -11.998 -19.452 -19.626 1.00 2.14 H new ATOM 0 HG3 ARG A 72 -10.467 -18.713 -19.201 1.00 2.14 H new ATOM 0 HD2 ARG A 72 -11.605 -18.844 -16.729 1.00 43.21 H new ATOM 0 HD3 ARG A 72 -12.399 -20.211 -17.485 1.00 43.21 H new ATOM 0 HE ARG A 72 -9.522 -20.222 -17.953 1.00 72.42 H new ATOM 0 HH11 ARG A 72 -12.084 -21.011 -15.657 1.00 32.34 H new ATOM 0 HH12 ARG A 72 -11.130 -22.256 -14.843 1.00 32.34 H new ATOM 0 HH21 ARG A 72 -8.303 -21.824 -16.904 1.00 71.33 H new ATOM 0 HH22 ARG A 72 -8.999 -22.714 -15.546 1.00 71.33 H new ATOM 1137 N ASP A 73 -12.553 -14.297 -20.472 1.00 52.42 N ATOM 1138 CA ASP A 73 -13.532 -13.246 -20.724 1.00 53.34 C ATOM 1139 C ASP A 73 -13.832 -13.129 -22.216 1.00 11.24 C ATOM 1140 O ASP A 73 -14.074 -12.035 -22.725 1.00 65.34 O ATOM 1141 CB ASP A 73 -13.025 -11.907 -20.187 1.00 42.41 C ATOM 1142 CG ASP A 73 -14.131 -10.879 -20.056 1.00 53.52 C ATOM 1143 OD1 ASP A 73 -13.855 -9.679 -20.267 1.00 50.14 O ATOM 1144 OD2 ASP A 73 -15.274 -11.274 -19.743 1.00 43.44 O ATOM 0 H ASP A 73 -11.582 -14.001 -20.570 1.00 52.42 H new ATOM 0 HA ASP A 73 -14.454 -13.511 -20.206 1.00 53.34 H new ATOM 0 HB2 ASP A 73 -12.560 -12.062 -19.213 1.00 42.41 H new ATOM 0 HB3 ASP A 73 -12.252 -11.522 -20.852 1.00 42.41 H new ATOM 1149 N GLU A 74 -13.814 -14.263 -22.909 1.00 23.25 N ATOM 1150 CA GLU A 74 -14.082 -14.287 -24.342 1.00 3.53 C ATOM 1151 C GLU A 74 -13.072 -13.428 -25.098 1.00 51.11 C ATOM 1152 O GLU A 74 -13.435 -12.672 -25.999 1.00 23.42 O ATOM 1153 CB GLU A 74 -15.502 -13.792 -24.625 1.00 62.55 C ATOM 1154 CG GLU A 74 -16.571 -14.524 -23.831 1.00 2.52 C ATOM 1155 CD GLU A 74 -17.677 -15.074 -24.710 1.00 12.23 C ATOM 1156 OE1 GLU A 74 -17.581 -16.251 -25.116 1.00 52.21 O ATOM 1157 OE2 GLU A 74 -18.638 -14.328 -24.991 1.00 73.03 O ATOM 0 H GLU A 74 -13.617 -15.177 -22.501 1.00 23.25 H new ATOM 0 HA GLU A 74 -13.988 -15.317 -24.687 1.00 3.53 H new ATOM 0 HB2 GLU A 74 -15.558 -12.727 -24.399 1.00 62.55 H new ATOM 0 HB3 GLU A 74 -15.711 -13.903 -25.689 1.00 62.55 H new ATOM 0 HG2 GLU A 74 -16.111 -15.343 -23.278 1.00 2.52 H new ATOM 0 HG3 GLU A 74 -17.001 -13.844 -23.095 1.00 2.52 H new ATOM 1164 N GLY A 75 -11.802 -13.550 -24.724 1.00 30.02 N ATOM 1165 CA GLY A 75 -10.759 -12.780 -25.376 1.00 12.53 C ATOM 1166 C GLY A 75 -9.482 -13.574 -25.563 1.00 31.22 C ATOM 1167 O GLY A 75 -8.799 -13.434 -26.577 1.00 74.51 O ATOM 0 H GLY A 75 -11.477 -14.169 -23.981 1.00 30.02 H new ATOM 0 HA2 GLY A 75 -11.117 -12.440 -26.348 1.00 12.53 H new ATOM 0 HA3 GLY A 75 -10.546 -11.889 -24.785 1.00 12.53 H new ATOM 1171 N MET A 76 -9.157 -14.409 -24.581 1.00 75.33 N ATOM 1172 CA MET A 76 -7.953 -15.229 -24.643 1.00 1.02 C ATOM 1173 C MET A 76 -7.871 -15.976 -25.970 1.00 60.21 C ATOM 1174 O MET A 76 -6.782 -16.237 -26.480 1.00 4.22 O ATOM 1175 CB MET A 76 -7.928 -16.224 -23.481 1.00 64.43 C ATOM 1176 CG MET A 76 -6.693 -17.111 -23.468 1.00 32.32 C ATOM 1177 SD MET A 76 -6.910 -18.588 -22.456 1.00 2.21 S ATOM 1178 CE MET A 76 -6.417 -19.865 -23.611 1.00 24.03 C ATOM 0 H MET A 76 -9.710 -14.535 -23.734 1.00 75.33 H new ATOM 0 HA MET A 76 -7.089 -14.569 -24.565 1.00 1.02 H new ATOM 0 HB2 MET A 76 -7.981 -15.674 -22.541 1.00 64.43 H new ATOM 0 HB3 MET A 76 -8.817 -16.853 -23.533 1.00 64.43 H new ATOM 0 HG2 MET A 76 -6.452 -17.407 -24.489 1.00 32.32 H new ATOM 0 HG3 MET A 76 -5.844 -16.540 -23.093 1.00 32.32 H new ATOM 0 HE1 MET A 76 -6.497 -20.840 -23.131 1.00 24.03 H new ATOM 0 HE2 MET A 76 -7.068 -19.836 -24.485 1.00 24.03 H new ATOM 0 HE3 MET A 76 -5.386 -19.697 -23.921 1.00 24.03 H new ATOM 1188 N MET A 77 -9.030 -16.318 -26.524 1.00 64.20 N ATOM 1189 CA MET A 77 -9.088 -17.035 -27.793 1.00 4.13 C ATOM 1190 C MET A 77 -8.434 -16.223 -28.906 1.00 45.02 C ATOM 1191 O MET A 77 -7.706 -16.766 -29.737 1.00 30.24 O ATOM 1192 CB MET A 77 -10.539 -17.349 -28.160 1.00 13.22 C ATOM 1193 CG MET A 77 -11.433 -16.120 -28.211 1.00 4.15 C ATOM 1194 SD MET A 77 -13.184 -16.538 -28.301 1.00 13.15 S ATOM 1195 CE MET A 77 -13.914 -14.909 -28.445 1.00 50.43 C ATOM 0 H MET A 77 -9.941 -16.110 -26.115 1.00 64.20 H new ATOM 0 HA MET A 77 -8.540 -17.970 -27.679 1.00 4.13 H new ATOM 0 HB2 MET A 77 -10.561 -17.844 -29.131 1.00 13.22 H new ATOM 0 HB3 MET A 77 -10.945 -18.053 -27.434 1.00 13.22 H new ATOM 0 HG2 MET A 77 -11.254 -15.509 -27.326 1.00 4.15 H new ATOM 0 HG3 MET A 77 -11.163 -15.515 -29.076 1.00 4.15 H new ATOM 0 HE1 MET A 77 -14.822 -14.863 -27.844 1.00 50.43 H new ATOM 0 HE2 MET A 77 -13.206 -14.160 -28.090 1.00 50.43 H new ATOM 0 HE3 MET A 77 -14.159 -14.711 -29.489 1.00 50.43 H new ATOM 1205 N GLU A 78 -8.698 -14.920 -28.916 1.00 72.25 N ATOM 1206 CA GLU A 78 -8.135 -14.035 -29.929 1.00 73.14 C ATOM 1207 C GLU A 78 -6.801 -13.457 -29.466 1.00 13.30 C ATOM 1208 O GLU A 78 -6.013 -12.964 -30.273 1.00 34.33 O ATOM 1209 CB GLU A 78 -9.112 -12.901 -30.248 1.00 32.34 C ATOM 1210 CG GLU A 78 -10.340 -13.355 -31.019 1.00 53.50 C ATOM 1211 CD GLU A 78 -10.344 -12.860 -32.452 1.00 72.05 C ATOM 1212 OE1 GLU A 78 -10.466 -13.700 -33.369 1.00 2.02 O ATOM 1213 OE2 GLU A 78 -10.225 -11.634 -32.658 1.00 74.22 O ATOM 0 H GLU A 78 -9.298 -14.454 -28.235 1.00 72.25 H new ATOM 0 HA GLU A 78 -7.963 -14.621 -30.832 1.00 73.14 H new ATOM 0 HB2 GLU A 78 -9.431 -12.434 -29.316 1.00 32.34 H new ATOM 0 HB3 GLU A 78 -8.592 -12.137 -30.826 1.00 32.34 H new ATOM 0 HG2 GLU A 78 -10.385 -14.444 -31.014 1.00 53.50 H new ATOM 0 HG3 GLU A 78 -11.236 -12.997 -30.512 1.00 53.50 H new ATOM 1220 N GLU A 79 -6.557 -13.520 -28.161 1.00 22.42 N ATOM 1221 CA GLU A 79 -5.319 -13.002 -27.590 1.00 13.30 C ATOM 1222 C GLU A 79 -4.338 -14.134 -27.300 1.00 2.43 C ATOM 1223 O GLU A 79 -3.412 -13.978 -26.505 1.00 21.34 O ATOM 1224 CB GLU A 79 -5.611 -12.223 -26.306 1.00 11.04 C ATOM 1225 CG GLU A 79 -5.074 -10.802 -26.320 1.00 55.54 C ATOM 1226 CD GLU A 79 -5.613 -9.987 -27.480 1.00 41.34 C ATOM 1227 OE1 GLU A 79 -6.807 -10.145 -27.812 1.00 44.10 O ATOM 1228 OE2 GLU A 79 -4.841 -9.192 -28.056 1.00 55.34 O ATOM 0 H GLU A 79 -7.199 -13.924 -27.480 1.00 22.42 H new ATOM 0 HA GLU A 79 -4.866 -12.330 -28.319 1.00 13.30 H new ATOM 0 HB2 GLU A 79 -6.689 -12.193 -26.146 1.00 11.04 H new ATOM 0 HB3 GLU A 79 -5.178 -12.758 -25.460 1.00 11.04 H new ATOM 0 HG2 GLU A 79 -5.334 -10.310 -25.383 1.00 55.54 H new ATOM 0 HG3 GLU A 79 -3.986 -10.829 -26.374 1.00 55.54 H new ATOM 1235 N GLY A 80 -4.549 -15.274 -27.951 1.00 3.33 N ATOM 1236 CA GLY A 80 -3.676 -16.415 -27.749 1.00 61.40 C ATOM 1237 C GLY A 80 -3.794 -17.439 -28.861 1.00 2.21 C ATOM 1238 O GLY A 80 -2.800 -18.039 -29.271 1.00 41.54 O ATOM 0 H GLY A 80 -5.309 -15.427 -28.614 1.00 3.33 H new ATOM 0 HA2 GLY A 80 -2.644 -16.072 -27.683 1.00 61.40 H new ATOM 0 HA3 GLY A 80 -3.916 -16.888 -26.797 1.00 61.40 H new ATOM 1242 N LYS A 81 -5.013 -17.641 -29.350 1.00 24.44 N ATOM 1243 CA LYS A 81 -5.259 -18.600 -30.421 1.00 4.34 C ATOM 1244 C LYS A 81 -5.362 -17.894 -31.769 1.00 61.10 C ATOM 1245 O LYS A 81 -5.866 -18.460 -32.740 1.00 44.13 O ATOM 1246 CB LYS A 81 -6.542 -19.386 -30.145 1.00 13.23 C ATOM 1247 CG LYS A 81 -6.369 -20.891 -30.251 1.00 44.00 C ATOM 1248 CD LYS A 81 -7.345 -21.630 -29.351 1.00 5.12 C ATOM 1249 CE LYS A 81 -6.857 -21.665 -27.910 1.00 60.25 C ATOM 1250 NZ LYS A 81 -7.075 -22.998 -27.284 1.00 22.43 N ATOM 0 H LYS A 81 -5.846 -17.153 -29.022 1.00 24.44 H new ATOM 0 HA LYS A 81 -4.418 -19.292 -30.456 1.00 4.34 H new ATOM 0 HB2 LYS A 81 -6.901 -19.140 -29.146 1.00 13.23 H new ATOM 0 HB3 LYS A 81 -7.312 -19.067 -30.848 1.00 13.23 H new ATOM 0 HG2 LYS A 81 -6.518 -21.203 -31.285 1.00 44.00 H new ATOM 0 HG3 LYS A 81 -5.348 -21.161 -29.981 1.00 44.00 H new ATOM 0 HD2 LYS A 81 -8.320 -21.145 -29.394 1.00 5.12 H new ATOM 0 HD3 LYS A 81 -7.479 -22.648 -29.716 1.00 5.12 H new ATOM 0 HE2 LYS A 81 -5.796 -21.419 -27.880 1.00 60.25 H new ATOM 0 HE3 LYS A 81 -7.378 -20.902 -27.331 1.00 60.25 H new ATOM 0 HZ1 LYS A 81 -6.730 -22.982 -26.303 1.00 22.43 H new ATOM 0 HZ2 LYS A 81 -8.090 -23.222 -27.290 1.00 22.43 H new ATOM 0 HZ3 LYS A 81 -6.557 -23.723 -27.821 1.00 22.43 H new ATOM 1264 N LEU A 82 -4.881 -16.657 -31.822 1.00 50.04 N ATOM 1265 CA LEU A 82 -4.918 -15.874 -33.053 1.00 22.30 C ATOM 1266 C LEU A 82 -3.527 -15.362 -33.414 1.00 72.13 C ATOM 1267 O LEU A 82 -2.987 -15.696 -34.469 1.00 42.51 O ATOM 1268 CB LEU A 82 -5.884 -14.698 -32.904 1.00 11.13 C ATOM 1269 CG LEU A 82 -7.177 -14.784 -33.716 1.00 44.43 C ATOM 1270 CD1 LEU A 82 -6.875 -14.725 -35.206 1.00 34.11 C ATOM 1271 CD2 LEU A 82 -7.938 -16.056 -33.374 1.00 14.30 C ATOM 0 H LEU A 82 -4.461 -16.174 -31.028 1.00 50.04 H new ATOM 0 HA LEU A 82 -5.267 -16.522 -33.857 1.00 22.30 H new ATOM 0 HB2 LEU A 82 -6.146 -14.600 -31.850 1.00 11.13 H new ATOM 0 HB3 LEU A 82 -5.360 -13.785 -33.188 1.00 11.13 H new ATOM 0 HG LEU A 82 -7.804 -13.930 -33.458 1.00 44.43 H new ATOM 0 HD11 LEU A 82 -7.806 -14.787 -35.769 1.00 34.11 H new ATOM 0 HD12 LEU A 82 -6.373 -13.786 -35.439 1.00 34.11 H new ATOM 0 HD13 LEU A 82 -6.229 -15.559 -35.480 1.00 34.11 H new ATOM 0 HD21 LEU A 82 -8.855 -16.100 -33.961 1.00 14.30 H new ATOM 0 HD22 LEU A 82 -7.319 -16.923 -33.603 1.00 14.30 H new ATOM 0 HD23 LEU A 82 -8.186 -16.057 -32.313 1.00 14.30 H new ATOM 1283 N ASP A 83 -2.953 -14.552 -32.532 1.00 21.43 N ATOM 1284 CA ASP A 83 -1.623 -13.997 -32.756 1.00 14.32 C ATOM 1285 C ASP A 83 -0.645 -14.480 -31.689 1.00 75.25 C ATOM 1286 O ASP A 83 -0.884 -14.314 -30.494 1.00 20.43 O ATOM 1287 CB ASP A 83 -1.680 -12.468 -32.758 1.00 61.32 C ATOM 1288 CG ASP A 83 -2.969 -11.938 -33.354 1.00 41.52 C ATOM 1289 OD1 ASP A 83 -2.990 -11.662 -34.572 1.00 54.23 O ATOM 1290 OD2 ASP A 83 -3.956 -11.799 -32.603 1.00 15.21 O ATOM 0 H ASP A 83 -3.388 -14.265 -31.655 1.00 21.43 H new ATOM 0 HA ASP A 83 -1.271 -14.342 -33.728 1.00 14.32 H new ATOM 0 HB2 ASP A 83 -1.578 -12.102 -31.736 1.00 61.32 H new ATOM 0 HB3 ASP A 83 -0.834 -12.076 -33.323 1.00 61.32 H new ATOM 1295 N ALA A 84 0.455 -15.080 -32.131 1.00 42.35 N ATOM 1296 CA ALA A 84 1.469 -15.586 -31.215 1.00 64.54 C ATOM 1297 C ALA A 84 1.973 -14.484 -30.290 1.00 30.33 C ATOM 1298 O ALA A 84 2.380 -14.748 -29.158 1.00 74.42 O ATOM 1299 CB ALA A 84 2.627 -16.195 -31.994 1.00 12.35 C ATOM 0 H ALA A 84 0.667 -15.227 -33.118 1.00 42.35 H new ATOM 0 HA ALA A 84 1.012 -16.360 -30.599 1.00 64.54 H new ATOM 0 HB1 ALA A 84 3.377 -16.569 -31.297 1.00 12.35 H new ATOM 0 HB2 ALA A 84 2.260 -17.017 -32.608 1.00 12.35 H new ATOM 0 HB3 ALA A 84 3.074 -15.435 -32.635 1.00 12.35 H new ATOM 1305 N SER A 85 1.944 -13.248 -30.778 1.00 32.40 N ATOM 1306 CA SER A 85 2.402 -12.106 -29.996 1.00 32.35 C ATOM 1307 C SER A 85 1.522 -11.903 -28.766 1.00 2.53 C ATOM 1308 O SER A 85 2.007 -11.530 -27.697 1.00 5.32 O ATOM 1309 CB SER A 85 2.400 -10.840 -30.854 1.00 12.45 C ATOM 1310 OG SER A 85 3.556 -10.057 -30.610 1.00 71.13 O ATOM 0 H SER A 85 1.608 -13.012 -31.712 1.00 32.40 H new ATOM 0 HA SER A 85 3.420 -12.309 -29.664 1.00 32.35 H new ATOM 0 HB2 SER A 85 2.357 -11.112 -31.909 1.00 12.45 H new ATOM 0 HB3 SER A 85 1.507 -10.253 -30.639 1.00 12.45 H new ATOM 0 HG SER A 85 3.532 -9.254 -31.172 1.00 71.13 H new ATOM 1316 N CYS A 86 0.227 -12.150 -28.925 1.00 51.43 N ATOM 1317 CA CYS A 86 -0.722 -11.993 -27.829 1.00 12.21 C ATOM 1318 C CYS A 86 -0.504 -13.062 -26.764 1.00 24.25 C ATOM 1319 O CYS A 86 -0.450 -12.763 -25.571 1.00 44.42 O ATOM 1320 CB CYS A 86 -2.157 -12.065 -28.354 1.00 43.23 C ATOM 1321 SG CYS A 86 -2.586 -10.743 -29.511 1.00 71.54 S ATOM 0 H CYS A 86 -0.190 -12.460 -29.803 1.00 51.43 H new ATOM 0 HA CYS A 86 -0.557 -11.015 -27.376 1.00 12.21 H new ATOM 0 HB2 CYS A 86 -2.305 -13.026 -28.846 1.00 43.23 H new ATOM 0 HB3 CYS A 86 -2.844 -12.031 -27.509 1.00 43.23 H new ATOM 0 HG CYS A 86 -3.522 -10.003 -28.996 1.00 71.54 H new ATOM 1327 N ALA A 87 -0.380 -14.311 -27.202 1.00 52.43 N ATOM 1328 CA ALA A 87 -0.167 -15.425 -26.287 1.00 14.44 C ATOM 1329 C ALA A 87 1.145 -15.267 -25.526 1.00 62.35 C ATOM 1330 O ALA A 87 1.230 -15.587 -24.341 1.00 33.24 O ATOM 1331 CB ALA A 87 -0.185 -16.743 -27.046 1.00 50.22 C ATOM 0 H ALA A 87 -0.424 -14.576 -28.186 1.00 52.43 H new ATOM 0 HA ALA A 87 -0.980 -15.427 -25.561 1.00 14.44 H new ATOM 0 HB1 ALA A 87 -0.025 -17.566 -26.350 1.00 50.22 H new ATOM 0 HB2 ALA A 87 -1.150 -16.867 -27.538 1.00 50.22 H new ATOM 0 HB3 ALA A 87 0.607 -16.742 -27.795 1.00 50.22 H new ATOM 1337 N VAL A 88 2.168 -14.773 -26.217 1.00 20.31 N ATOM 1338 CA VAL A 88 3.477 -14.573 -25.606 1.00 71.35 C ATOM 1339 C VAL A 88 3.440 -13.442 -24.586 1.00 1.43 C ATOM 1340 O VAL A 88 3.976 -13.567 -23.485 1.00 34.31 O ATOM 1341 CB VAL A 88 4.549 -14.259 -26.667 1.00 53.40 C ATOM 1342 CG1 VAL A 88 5.867 -13.894 -26.002 1.00 63.31 C ATOM 1343 CG2 VAL A 88 4.726 -15.438 -27.611 1.00 20.41 C ATOM 0 H VAL A 88 2.115 -14.504 -27.200 1.00 20.31 H new ATOM 0 HA VAL A 88 3.737 -15.504 -25.102 1.00 71.35 H new ATOM 0 HB VAL A 88 4.216 -13.402 -27.253 1.00 53.40 H new ATOM 0 HG11 VAL A 88 6.612 -13.675 -26.767 1.00 63.31 H new ATOM 0 HG12 VAL A 88 5.726 -13.016 -25.372 1.00 63.31 H new ATOM 0 HG13 VAL A 88 6.209 -14.729 -25.390 1.00 63.31 H new ATOM 0 HG21 VAL A 88 5.487 -15.198 -28.354 1.00 20.41 H new ATOM 0 HG22 VAL A 88 5.036 -16.315 -27.043 1.00 20.41 H new ATOM 0 HG23 VAL A 88 3.782 -15.647 -28.114 1.00 20.41 H new ATOM 1353 N ALA A 89 2.804 -12.336 -24.959 1.00 31.02 N ATOM 1354 CA ALA A 89 2.695 -11.182 -24.075 1.00 34.22 C ATOM 1355 C ALA A 89 1.968 -11.546 -22.785 1.00 33.14 C ATOM 1356 O ALA A 89 2.400 -11.177 -21.692 1.00 65.23 O ATOM 1357 CB ALA A 89 1.979 -10.041 -24.782 1.00 71.13 C ATOM 0 H ALA A 89 2.356 -12.215 -25.868 1.00 31.02 H new ATOM 0 HA ALA A 89 3.703 -10.858 -23.815 1.00 34.22 H new ATOM 0 HB1 ALA A 89 1.905 -9.186 -24.110 1.00 71.13 H new ATOM 0 HB2 ALA A 89 2.540 -9.755 -25.672 1.00 71.13 H new ATOM 0 HB3 ALA A 89 0.979 -10.363 -25.071 1.00 71.13 H new ATOM 1363 N ILE A 90 0.862 -12.270 -22.918 1.00 72.31 N ATOM 1364 CA ILE A 90 0.076 -12.684 -21.762 1.00 52.43 C ATOM 1365 C ILE A 90 0.852 -13.667 -20.893 1.00 1.44 C ATOM 1366 O ILE A 90 0.919 -13.513 -19.674 1.00 14.24 O ATOM 1367 CB ILE A 90 -1.254 -13.333 -22.189 1.00 12.51 C ATOM 1368 CG1 ILE A 90 -2.088 -12.346 -23.009 1.00 32.10 C ATOM 1369 CG2 ILE A 90 -2.030 -13.803 -20.968 1.00 1.25 C ATOM 1370 CD1 ILE A 90 -3.209 -13.002 -23.785 1.00 42.43 C ATOM 0 H ILE A 90 0.490 -12.582 -23.815 1.00 72.31 H new ATOM 0 HA ILE A 90 -0.137 -11.783 -21.186 1.00 52.43 H new ATOM 0 HB ILE A 90 -1.035 -14.200 -22.812 1.00 12.51 H new ATOM 0 HG12 ILE A 90 -2.510 -11.596 -22.340 1.00 32.10 H new ATOM 0 HG13 ILE A 90 -1.434 -11.820 -23.705 1.00 32.10 H new ATOM 0 HG21 ILE A 90 -2.967 -14.259 -21.286 1.00 1.25 H new ATOM 0 HG22 ILE A 90 -1.437 -14.536 -20.420 1.00 1.25 H new ATOM 0 HG23 ILE A 90 -2.242 -12.951 -20.322 1.00 1.25 H new ATOM 0 HD11 ILE A 90 -3.758 -12.243 -24.343 1.00 42.43 H new ATOM 0 HD12 ILE A 90 -2.792 -13.732 -24.479 1.00 42.43 H new ATOM 0 HD13 ILE A 90 -3.885 -13.504 -23.093 1.00 42.43 H new ATOM 1382 N GLU A 91 1.439 -14.676 -21.529 1.00 1.42 N ATOM 1383 CA GLU A 91 2.212 -15.683 -20.812 1.00 61.23 C ATOM 1384 C GLU A 91 3.341 -15.037 -20.014 1.00 15.04 C ATOM 1385 O GLU A 91 3.661 -15.474 -18.909 1.00 3.20 O ATOM 1386 CB GLU A 91 2.788 -16.708 -21.792 1.00 31.12 C ATOM 1387 CG GLU A 91 3.222 -18.005 -21.130 1.00 71.32 C ATOM 1388 CD GLU A 91 2.942 -19.221 -21.992 1.00 23.54 C ATOM 1389 OE1 GLU A 91 2.300 -20.168 -21.490 1.00 54.31 O ATOM 1390 OE2 GLU A 91 3.366 -19.227 -23.166 1.00 60.51 O ATOM 0 H GLU A 91 1.394 -14.818 -22.538 1.00 1.42 H new ATOM 0 HA GLU A 91 1.543 -16.190 -20.117 1.00 61.23 H new ATOM 0 HB2 GLU A 91 2.040 -16.931 -22.553 1.00 31.12 H new ATOM 0 HB3 GLU A 91 3.643 -16.268 -22.305 1.00 31.12 H new ATOM 0 HG2 GLU A 91 4.289 -17.958 -20.910 1.00 71.32 H new ATOM 0 HG3 GLU A 91 2.705 -18.113 -20.177 1.00 71.32 H new ATOM 1397 N GLU A 92 3.938 -13.994 -20.582 1.00 63.51 N ATOM 1398 CA GLU A 92 5.032 -13.289 -19.924 1.00 34.12 C ATOM 1399 C GLU A 92 4.518 -12.471 -18.742 1.00 61.14 C ATOM 1400 O GLU A 92 5.112 -12.477 -17.665 1.00 30.44 O ATOM 1401 CB GLU A 92 5.750 -12.374 -20.918 1.00 32.30 C ATOM 1402 CG GLU A 92 6.769 -11.452 -20.270 1.00 62.51 C ATOM 1403 CD GLU A 92 7.773 -10.902 -21.264 1.00 51.15 C ATOM 1404 OE1 GLU A 92 8.962 -10.781 -20.901 1.00 54.51 O ATOM 1405 OE2 GLU A 92 7.370 -10.592 -22.405 1.00 62.31 O ATOM 0 H GLU A 92 3.683 -13.619 -21.496 1.00 63.51 H new ATOM 0 HA GLU A 92 5.737 -14.032 -19.551 1.00 34.12 H new ATOM 0 HB2 GLU A 92 6.252 -12.987 -21.666 1.00 32.30 H new ATOM 0 HB3 GLU A 92 5.010 -11.771 -21.444 1.00 32.30 H new ATOM 0 HG2 GLU A 92 6.249 -10.624 -19.788 1.00 62.51 H new ATOM 0 HG3 GLU A 92 7.298 -11.995 -19.487 1.00 62.51 H new ATOM 1412 N ALA A 93 3.411 -11.767 -18.954 1.00 72.33 N ATOM 1413 CA ALA A 93 2.816 -10.945 -17.908 1.00 21.32 C ATOM 1414 C ALA A 93 2.478 -11.782 -16.678 1.00 41.43 C ATOM 1415 O ALA A 93 2.727 -11.366 -15.546 1.00 75.11 O ATOM 1416 CB ALA A 93 1.571 -10.245 -18.431 1.00 12.24 C ATOM 0 H ALA A 93 2.908 -11.750 -19.841 1.00 72.33 H new ATOM 0 HA ALA A 93 3.546 -10.191 -17.613 1.00 21.32 H new ATOM 0 HB1 ALA A 93 1.137 -9.635 -17.639 1.00 12.24 H new ATOM 0 HB2 ALA A 93 1.839 -9.609 -19.274 1.00 12.24 H new ATOM 0 HB3 ALA A 93 0.844 -10.990 -18.755 1.00 12.24 H new ATOM 1422 N ILE A 94 1.910 -12.961 -16.908 1.00 41.45 N ATOM 1423 CA ILE A 94 1.539 -13.855 -15.819 1.00 13.31 C ATOM 1424 C ILE A 94 2.767 -14.530 -15.219 1.00 2.02 C ATOM 1425 O ILE A 94 2.824 -14.780 -14.015 1.00 53.12 O ATOM 1426 CB ILE A 94 0.551 -14.938 -16.291 1.00 52.33 C ATOM 1427 CG1 ILE A 94 1.189 -15.800 -17.383 1.00 13.33 C ATOM 1428 CG2 ILE A 94 -0.734 -14.299 -16.797 1.00 1.42 C ATOM 1429 CD1 ILE A 94 0.258 -16.852 -17.943 1.00 33.23 C ATOM 0 H ILE A 94 1.697 -13.319 -17.839 1.00 41.45 H new ATOM 0 HA ILE A 94 1.057 -13.241 -15.058 1.00 13.31 H new ATOM 0 HB ILE A 94 0.306 -15.579 -15.444 1.00 52.33 H new ATOM 0 HG12 ILE A 94 1.525 -15.154 -18.195 1.00 13.33 H new ATOM 0 HG13 ILE A 94 2.075 -16.289 -16.978 1.00 13.33 H new ATOM 0 HG21 ILE A 94 -1.422 -15.077 -17.127 1.00 1.42 H new ATOM 0 HG22 ILE A 94 -1.195 -13.724 -15.994 1.00 1.42 H new ATOM 0 HG23 ILE A 94 -0.507 -13.637 -17.633 1.00 1.42 H new ATOM 0 HD11 ILE A 94 0.777 -17.425 -18.712 1.00 33.23 H new ATOM 0 HD12 ILE A 94 -0.058 -17.521 -17.143 1.00 33.23 H new ATOM 0 HD13 ILE A 94 -0.617 -16.369 -18.379 1.00 33.23 H new ATOM 1441 N GLN A 95 3.749 -14.821 -16.066 1.00 40.32 N ATOM 1442 CA GLN A 95 4.978 -15.466 -15.619 1.00 34.13 C ATOM 1443 C GLN A 95 5.764 -14.551 -14.686 1.00 24.31 C ATOM 1444 O GLN A 95 6.467 -15.018 -13.788 1.00 70.23 O ATOM 1445 CB GLN A 95 5.841 -15.854 -16.820 1.00 25.21 C ATOM 1446 CG GLN A 95 5.630 -17.286 -17.284 1.00 22.42 C ATOM 1447 CD GLN A 95 6.845 -17.856 -17.990 1.00 34.30 C ATOM 1448 OE1 GLN A 95 7.825 -17.151 -18.229 1.00 64.44 O ATOM 1449 NE2 GLN A 95 6.786 -19.139 -18.328 1.00 35.13 N ATOM 0 H GLN A 95 3.717 -14.620 -17.066 1.00 40.32 H new ATOM 0 HA GLN A 95 4.707 -16.368 -15.070 1.00 34.13 H new ATOM 0 HB2 GLN A 95 5.624 -15.177 -17.647 1.00 25.21 H new ATOM 0 HB3 GLN A 95 6.891 -15.715 -16.562 1.00 25.21 H new ATOM 0 HG2 GLN A 95 5.388 -17.911 -16.424 1.00 22.42 H new ATOM 0 HG3 GLN A 95 4.773 -17.323 -17.956 1.00 22.42 H new ATOM 0 HE21 GLN A 95 5.953 -19.686 -18.110 1.00 35.13 H new ATOM 0 HE22 GLN A 95 7.574 -19.577 -18.805 1.00 35.13 H new ATOM 1458 N LEU A 96 5.643 -13.247 -14.904 1.00 13.52 N ATOM 1459 CA LEU A 96 6.343 -12.265 -14.083 1.00 21.14 C ATOM 1460 C LEU A 96 5.535 -11.923 -12.835 1.00 21.33 C ATOM 1461 O LEU A 96 6.081 -11.835 -11.734 1.00 74.24 O ATOM 1462 CB LEU A 96 6.615 -10.996 -14.891 1.00 44.52 C ATOM 1463 CG LEU A 96 7.648 -11.122 -16.012 1.00 73.31 C ATOM 1464 CD1 LEU A 96 7.586 -9.914 -16.934 1.00 73.40 C ATOM 1465 CD2 LEU A 96 9.046 -11.283 -15.434 1.00 1.33 C ATOM 0 H LEU A 96 5.066 -12.844 -15.643 1.00 13.52 H new ATOM 0 HA LEU A 96 7.292 -12.700 -13.771 1.00 21.14 H new ATOM 0 HB2 LEU A 96 5.675 -10.658 -15.327 1.00 44.52 H new ATOM 0 HB3 LEU A 96 6.946 -10.217 -14.205 1.00 44.52 H new ATOM 0 HG LEU A 96 7.414 -12.012 -16.597 1.00 73.31 H new ATOM 0 HD11 LEU A 96 8.328 -10.022 -17.725 1.00 73.40 H new ATOM 0 HD12 LEU A 96 6.592 -9.844 -17.376 1.00 73.40 H new ATOM 0 HD13 LEU A 96 7.793 -9.009 -16.363 1.00 73.40 H new ATOM 0 HD21 LEU A 96 9.768 -11.371 -16.246 1.00 1.33 H new ATOM 0 HD22 LEU A 96 9.290 -10.413 -14.825 1.00 1.33 H new ATOM 0 HD23 LEU A 96 9.083 -12.180 -14.817 1.00 1.33 H new ATOM 1477 N TYR A 97 4.233 -11.734 -13.013 1.00 54.03 N ATOM 1478 CA TYR A 97 3.349 -11.402 -11.902 1.00 1.20 C ATOM 1479 C TYR A 97 3.380 -12.493 -10.837 1.00 31.35 C ATOM 1480 O TYR A 97 3.436 -12.207 -9.641 1.00 41.22 O ATOM 1481 CB TYR A 97 1.918 -11.203 -12.403 1.00 14.11 C ATOM 1482 CG TYR A 97 0.916 -10.967 -11.295 1.00 73.03 C ATOM 1483 CD1 TYR A 97 0.312 -12.033 -10.640 1.00 20.05 C ATOM 1484 CD2 TYR A 97 0.572 -9.679 -10.905 1.00 41.31 C ATOM 1485 CE1 TYR A 97 -0.604 -11.823 -9.627 1.00 54.54 C ATOM 1486 CE2 TYR A 97 -0.342 -9.459 -9.893 1.00 51.32 C ATOM 1487 CZ TYR A 97 -0.928 -10.534 -9.258 1.00 2.34 C ATOM 1488 OH TYR A 97 -1.840 -10.319 -8.250 1.00 0.30 O ATOM 0 H TYR A 97 3.766 -11.805 -13.917 1.00 54.03 H new ATOM 0 HA TYR A 97 3.702 -10.473 -11.455 1.00 1.20 H new ATOM 0 HB2 TYR A 97 1.896 -10.355 -13.088 1.00 14.11 H new ATOM 0 HB3 TYR A 97 1.616 -12.081 -12.973 1.00 14.11 H new ATOM 0 HD1 TYR A 97 0.563 -13.043 -10.928 1.00 20.05 H new ATOM 0 HD2 TYR A 97 1.027 -8.835 -11.402 1.00 41.31 H new ATOM 0 HE1 TYR A 97 -1.063 -12.663 -9.127 1.00 54.54 H new ATOM 0 HE2 TYR A 97 -0.596 -8.451 -9.601 1.00 51.32 H new ATOM 0 HH TYR A 97 -1.955 -9.355 -8.113 1.00 0.30 H new ATOM 1498 N GLU A 98 3.343 -13.746 -11.280 1.00 44.15 N ATOM 1499 CA GLU A 98 3.367 -14.881 -10.365 1.00 51.05 C ATOM 1500 C GLU A 98 4.773 -15.108 -9.817 1.00 34.43 C ATOM 1501 O GLU A 98 4.951 -15.770 -8.795 1.00 11.14 O ATOM 1502 CB GLU A 98 2.873 -16.145 -11.073 1.00 10.25 C ATOM 1503 CG GLU A 98 1.824 -16.912 -10.285 1.00 65.51 C ATOM 1504 CD GLU A 98 2.304 -18.287 -9.861 1.00 1.14 C ATOM 1505 OE1 GLU A 98 3.379 -18.371 -9.230 1.00 41.13 O ATOM 1506 OE2 GLU A 98 1.605 -19.278 -10.159 1.00 4.04 O ATOM 0 H GLU A 98 3.296 -14.000 -12.267 1.00 44.15 H new ATOM 0 HA GLU A 98 2.702 -14.657 -9.531 1.00 51.05 H new ATOM 0 HB2 GLU A 98 2.458 -15.870 -12.043 1.00 10.25 H new ATOM 0 HB3 GLU A 98 3.723 -16.800 -11.264 1.00 10.25 H new ATOM 0 HG2 GLU A 98 1.548 -16.338 -9.400 1.00 65.51 H new ATOM 0 HG3 GLU A 98 0.924 -17.016 -10.891 1.00 65.51 H new ATOM 1513 N GLU A 99 5.767 -14.555 -10.505 1.00 33.35 N ATOM 1514 CA GLU A 99 7.156 -14.699 -10.087 1.00 23.12 C ATOM 1515 C GLU A 99 7.516 -13.662 -9.026 1.00 72.34 C ATOM 1516 O GLU A 99 8.382 -13.897 -8.184 1.00 15.42 O ATOM 1517 CB GLU A 99 8.091 -14.559 -11.290 1.00 70.12 C ATOM 1518 CG GLU A 99 9.565 -14.580 -10.922 1.00 31.13 C ATOM 1519 CD GLU A 99 9.962 -15.839 -10.175 1.00 14.55 C ATOM 1520 OE1 GLU A 99 10.271 -15.739 -8.969 1.00 1.04 O ATOM 1521 OE2 GLU A 99 9.963 -16.922 -10.795 1.00 20.11 O ATOM 0 H GLU A 99 5.636 -14.004 -11.353 1.00 33.35 H new ATOM 0 HA GLU A 99 7.277 -15.692 -9.655 1.00 23.12 H new ATOM 0 HB2 GLU A 99 7.889 -15.368 -11.992 1.00 70.12 H new ATOM 0 HB3 GLU A 99 7.867 -13.625 -11.806 1.00 70.12 H new ATOM 0 HG2 GLU A 99 10.163 -14.496 -11.829 1.00 31.13 H new ATOM 0 HG3 GLU A 99 9.795 -13.710 -10.307 1.00 31.13 H new ATOM 1528 N GLN A 100 6.845 -12.516 -9.076 1.00 74.15 N ATOM 1529 CA GLN A 100 7.094 -11.443 -8.121 1.00 62.04 C ATOM 1530 C GLN A 100 6.067 -11.467 -6.995 1.00 33.45 C ATOM 1531 O GLN A 100 6.361 -11.078 -5.863 1.00 72.44 O ATOM 1532 CB GLN A 100 7.063 -10.086 -8.827 1.00 33.21 C ATOM 1533 CG GLN A 100 8.439 -9.572 -9.219 1.00 34.31 C ATOM 1534 CD GLN A 100 9.239 -9.080 -8.029 1.00 33.41 C ATOM 1535 OE1 GLN A 100 9.141 -9.629 -6.931 1.00 14.22 O ATOM 1536 NE2 GLN A 100 10.037 -8.041 -8.241 1.00 1.30 N ATOM 0 H GLN A 100 6.125 -12.307 -9.767 1.00 74.15 H new ATOM 0 HA GLN A 100 8.083 -11.598 -7.689 1.00 62.04 H new ATOM 0 HB2 GLN A 100 6.446 -10.165 -9.722 1.00 33.21 H new ATOM 0 HB3 GLN A 100 6.585 -9.357 -8.173 1.00 33.21 H new ATOM 0 HG2 GLN A 100 8.991 -10.368 -9.719 1.00 34.31 H new ATOM 0 HG3 GLN A 100 8.328 -8.760 -9.938 1.00 34.31 H new ATOM 0 HE21 GLN A 100 10.087 -7.617 -9.167 1.00 1.30 H new ATOM 0 HE22 GLN A 100 10.600 -7.666 -7.478 1.00 1.30 H new ATOM 1545 N LEU A 101 4.861 -11.926 -7.310 1.00 73.13 N ATOM 1546 CA LEU A 101 3.788 -12.001 -6.324 1.00 63.11 C ATOM 1547 C LEU A 101 4.250 -12.740 -5.072 1.00 44.12 C ATOM 1548 O LEU A 101 4.042 -12.275 -3.951 1.00 63.22 O ATOM 1549 CB LEU A 101 2.567 -12.702 -6.922 1.00 0.20 C ATOM 1550 CG LEU A 101 1.416 -12.986 -5.956 1.00 3.12 C ATOM 1551 CD1 LEU A 101 0.703 -11.696 -5.582 1.00 33.13 C ATOM 1552 CD2 LEU A 101 0.440 -13.980 -6.567 1.00 53.12 C ATOM 0 H LEU A 101 4.601 -12.252 -8.241 1.00 73.13 H new ATOM 0 HA LEU A 101 3.514 -10.984 -6.043 1.00 63.11 H new ATOM 0 HB2 LEU A 101 2.186 -12.090 -7.740 1.00 0.20 H new ATOM 0 HB3 LEU A 101 2.892 -13.647 -7.356 1.00 0.20 H new ATOM 0 HG LEU A 101 1.829 -13.425 -5.048 1.00 3.12 H new ATOM 0 HD11 LEU A 101 -0.113 -11.918 -4.894 1.00 33.13 H new ATOM 0 HD12 LEU A 101 1.408 -11.017 -5.102 1.00 33.13 H new ATOM 0 HD13 LEU A 101 0.302 -11.228 -6.481 1.00 33.13 H new ATOM 0 HD21 LEU A 101 -0.372 -14.170 -5.866 1.00 53.12 H new ATOM 0 HD22 LEU A 101 0.033 -13.569 -7.491 1.00 53.12 H new ATOM 0 HD23 LEU A 101 0.959 -14.914 -6.783 1.00 53.12 H new ATOM 1564 N LYS A 102 4.881 -13.893 -5.271 1.00 11.54 N ATOM 1565 CA LYS A 102 5.377 -14.695 -4.159 1.00 33.21 C ATOM 1566 C LYS A 102 6.307 -13.877 -3.269 1.00 42.05 C ATOM 1567 O LYS A 102 6.173 -13.880 -2.046 1.00 64.22 O ATOM 1568 CB LYS A 102 6.111 -15.931 -4.683 1.00 63.22 C ATOM 1569 CG LYS A 102 5.280 -16.774 -5.635 1.00 24.52 C ATOM 1570 CD LYS A 102 4.104 -17.422 -4.924 1.00 30.12 C ATOM 1571 CE LYS A 102 3.007 -17.813 -5.903 1.00 5.22 C ATOM 1572 NZ LYS A 102 2.892 -19.291 -6.046 1.00 3.44 N ATOM 0 H LYS A 102 5.061 -14.293 -6.192 1.00 11.54 H new ATOM 0 HA LYS A 102 4.521 -15.013 -3.563 1.00 33.21 H new ATOM 0 HB2 LYS A 102 7.021 -15.614 -5.192 1.00 63.22 H new ATOM 0 HB3 LYS A 102 6.417 -16.547 -3.838 1.00 63.22 H new ATOM 0 HG2 LYS A 102 4.914 -16.150 -6.450 1.00 24.52 H new ATOM 0 HG3 LYS A 102 5.907 -17.546 -6.081 1.00 24.52 H new ATOM 0 HD2 LYS A 102 4.445 -18.306 -4.386 1.00 30.12 H new ATOM 0 HD3 LYS A 102 3.702 -16.733 -4.181 1.00 30.12 H new ATOM 0 HE2 LYS A 102 2.055 -17.406 -5.563 1.00 5.22 H new ATOM 0 HE3 LYS A 102 3.214 -17.369 -6.877 1.00 5.22 H new ATOM 0 HZ1 LYS A 102 2.134 -19.516 -6.721 1.00 3.44 H new ATOM 0 HZ2 LYS A 102 3.792 -19.677 -6.395 1.00 3.44 H new ATOM 0 HZ3 LYS A 102 2.669 -19.713 -5.122 1.00 3.44 H new ATOM 1586 N ALA A 103 7.249 -13.176 -3.892 1.00 71.05 N ATOM 1587 CA ALA A 103 8.199 -12.350 -3.157 1.00 71.52 C ATOM 1588 C ALA A 103 7.478 -11.367 -2.241 1.00 71.15 C ATOM 1589 O ALA A 103 7.929 -11.098 -1.129 1.00 13.45 O ATOM 1590 CB ALA A 103 9.109 -11.606 -4.123 1.00 13.41 C ATOM 0 H ALA A 103 7.374 -13.164 -4.904 1.00 71.05 H new ATOM 0 HA ALA A 103 8.808 -13.006 -2.534 1.00 71.52 H new ATOM 0 HB1 ALA A 103 9.813 -10.993 -3.561 1.00 13.41 H new ATOM 0 HB2 ALA A 103 9.658 -12.324 -4.732 1.00 13.41 H new ATOM 0 HB3 ALA A 103 8.508 -10.967 -4.770 1.00 13.41 H new ATOM 1596 N GLN A 104 6.357 -10.834 -2.718 1.00 23.51 N ATOM 1597 CA GLN A 104 5.576 -9.880 -1.941 1.00 55.33 C ATOM 1598 C GLN A 104 4.375 -10.560 -1.291 1.00 43.12 C ATOM 1599 O GLN A 104 3.404 -9.903 -0.918 1.00 1.30 O ATOM 1600 CB GLN A 104 5.104 -8.730 -2.833 1.00 11.31 C ATOM 1601 CG GLN A 104 6.189 -8.185 -3.748 1.00 74.34 C ATOM 1602 CD GLN A 104 6.331 -6.679 -3.654 1.00 33.05 C ATOM 1603 OE1 GLN A 104 7.075 -6.166 -2.818 1.00 44.51 O ATOM 1604 NE2 GLN A 104 5.615 -5.961 -4.512 1.00 22.53 N ATOM 0 H GLN A 104 5.970 -11.047 -3.638 1.00 23.51 H new ATOM 0 HA GLN A 104 6.215 -9.482 -1.153 1.00 55.33 H new ATOM 0 HB2 GLN A 104 4.266 -9.073 -3.440 1.00 11.31 H new ATOM 0 HB3 GLN A 104 4.732 -7.922 -2.203 1.00 11.31 H new ATOM 0 HG2 GLN A 104 7.141 -8.652 -3.495 1.00 74.34 H new ATOM 0 HG3 GLN A 104 5.963 -8.461 -4.778 1.00 74.34 H new ATOM 0 HE21 GLN A 104 5.011 -6.428 -5.188 1.00 22.53 H new ATOM 0 HE22 GLN A 104 5.669 -4.943 -4.494 1.00 22.53 H new ATOM 1613 N ALA A 105 4.449 -11.880 -1.159 1.00 63.34 N ATOM 1614 CA ALA A 105 3.370 -12.649 -0.553 1.00 33.20 C ATOM 1615 C ALA A 105 3.869 -13.442 0.650 1.00 61.42 C ATOM 1616 O ALA A 105 3.284 -14.459 1.022 1.00 41.31 O ATOM 1617 CB ALA A 105 2.744 -13.582 -1.580 1.00 5.31 C ATOM 0 H ALA A 105 5.246 -12.439 -1.464 1.00 63.34 H new ATOM 0 HA ALA A 105 2.611 -11.949 -0.204 1.00 33.20 H new ATOM 0 HB1 ALA A 105 1.939 -14.150 -1.113 1.00 5.31 H new ATOM 0 HB2 ALA A 105 2.342 -12.996 -2.407 1.00 5.31 H new ATOM 0 HB3 ALA A 105 3.502 -14.269 -1.957 1.00 5.31 H new ATOM 1623 N GLY A 106 4.956 -12.971 1.254 1.00 33.12 N ATOM 1624 CA GLY A 106 5.516 -13.650 2.408 1.00 12.53 C ATOM 1625 C GLY A 106 6.757 -14.449 2.065 1.00 72.41 C ATOM 1626 O GLY A 106 7.606 -14.690 2.922 1.00 34.32 O ATOM 0 H GLY A 106 5.458 -12.132 0.965 1.00 33.12 H new ATOM 0 HA2 GLY A 106 5.761 -12.915 3.174 1.00 12.53 H new ATOM 0 HA3 GLY A 106 4.765 -14.316 2.834 1.00 12.53 H new ATOM 1630 N GLY A 107 6.862 -14.864 0.806 1.00 64.01 N ATOM 1631 CA GLY A 107 8.011 -15.639 0.374 1.00 51.21 C ATOM 1632 C GLY A 107 7.649 -17.071 0.032 1.00 2.44 C ATOM 1633 O GLY A 107 8.092 -18.007 0.699 1.00 73.24 O ATOM 0 H GLY A 107 6.172 -14.678 0.078 1.00 64.01 H new ATOM 0 HA2 GLY A 107 8.460 -15.163 -0.498 1.00 51.21 H new ATOM 0 HA3 GLY A 107 8.764 -15.636 1.162 1.00 51.21 H new ATOM 1637 N THR A 108 6.840 -17.243 -1.008 1.00 63.05 N ATOM 1638 CA THR A 108 6.417 -18.570 -1.436 1.00 33.54 C ATOM 1639 C THR A 108 5.529 -19.228 -0.386 1.00 34.52 C ATOM 1640 O THR A 108 5.882 -20.263 0.179 1.00 14.43 O ATOM 1641 CB THR A 108 7.626 -19.483 -1.714 1.00 74.51 C ATOM 1642 OG1 THR A 108 8.709 -18.713 -2.246 1.00 71.15 O ATOM 1643 CG2 THR A 108 7.255 -20.589 -2.691 1.00 30.21 C ATOM 0 H THR A 108 6.464 -16.479 -1.570 1.00 63.05 H new ATOM 0 HA THR A 108 5.851 -18.439 -2.358 1.00 33.54 H new ATOM 0 HB THR A 108 7.933 -19.939 -0.773 1.00 74.51 H new ATOM 0 HG1 THR A 108 9.474 -19.300 -2.418 1.00 71.15 H new ATOM 0 HG21 THR A 108 8.124 -21.221 -2.872 1.00 30.21 H new ATOM 0 HG22 THR A 108 6.450 -21.191 -2.270 1.00 30.21 H new ATOM 0 HG23 THR A 108 6.925 -20.148 -3.631 1.00 30.21 H new ATOM 1651 N ASN A 109 4.374 -18.622 -0.130 1.00 31.10 N ATOM 1652 CA ASN A 109 3.435 -19.150 0.853 1.00 74.22 C ATOM 1653 C ASN A 109 4.128 -19.402 2.188 1.00 4.10 C ATOM 1654 O ASN A 109 3.760 -20.314 2.927 1.00 22.02 O ATOM 1655 CB ASN A 109 2.804 -20.447 0.341 1.00 53.32 C ATOM 1656 CG ASN A 109 1.490 -20.762 1.029 1.00 12.44 C ATOM 1657 OD1 ASN A 109 1.464 -21.417 2.071 1.00 13.34 O ATOM 1658 ND2 ASN A 109 0.391 -20.295 0.448 1.00 33.21 N ATOM 0 H ASN A 109 4.066 -17.765 -0.590 1.00 31.10 H new ATOM 0 HA ASN A 109 2.652 -18.407 1.005 1.00 74.22 H new ATOM 0 HB2 ASN A 109 2.638 -20.368 -0.733 1.00 53.32 H new ATOM 0 HB3 ASN A 109 3.499 -21.272 0.496 1.00 53.32 H new ATOM 0 HD21 ASN A 109 -0.522 -20.475 0.865 1.00 33.21 H new ATOM 0 HD22 ASN A 109 0.460 -19.757 -0.416 1.00 33.21 H new ATOM 1665 N GLU A 110 5.134 -18.586 2.489 1.00 12.14 N ATOM 1666 CA GLU A 110 5.879 -18.721 3.736 1.00 51.14 C ATOM 1667 C GLU A 110 6.525 -20.100 3.837 1.00 42.55 C ATOM 1668 O GLU A 110 7.598 -20.335 3.281 1.00 13.11 O ATOM 1669 CB GLU A 110 4.957 -18.489 4.935 1.00 41.44 C ATOM 1670 CG GLU A 110 5.700 -18.159 6.218 1.00 33.05 C ATOM 1671 CD GLU A 110 5.366 -19.115 7.347 1.00 13.45 C ATOM 1672 OE1 GLU A 110 6.255 -19.895 7.746 1.00 64.42 O ATOM 1673 OE2 GLU A 110 4.215 -19.082 7.832 1.00 25.13 O ATOM 0 H GLU A 110 5.451 -17.826 1.888 1.00 12.14 H new ATOM 0 HA GLU A 110 6.667 -17.968 3.742 1.00 51.14 H new ATOM 0 HB2 GLU A 110 4.271 -17.675 4.703 1.00 41.44 H new ATOM 0 HB3 GLU A 110 4.351 -19.381 5.095 1.00 41.44 H new ATOM 0 HG2 GLU A 110 6.773 -18.186 6.029 1.00 33.05 H new ATOM 0 HG3 GLU A 110 5.456 -17.142 6.524 1.00 33.05 H new TER 1680 GLU A 110