USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 849 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 121 THR OG1 : rot -77:sc= 0.488 USER MOD Set 1.2: A 122 GLN : amide:sc= 0.131 X(o=0.62,f=0.31) USER MOD Set 2.1: A 114 GLN : amide:sc= -0.176 X(o=-1.7,f=-1.2) USER MOD Set 2.2: A 118 ASN : amide:sc= -1.5 X(o=-1.7,f=-1.2) USER MOD Set 3.1: A 67 GLN : amide:sc= -0.139 X(o=-0.92,f=-1.2) USER MOD Set 3.2: A 71 MET CE :methyl 164:sc= -0.781 (180deg=-1.85!) USER MOD Set 4.1: A 37 GLN : amide:sc= -0.936 K(o=0.34,f=-3) USER MOD Set 4.2: A 93 LYS NZ :NH3+ 151:sc= 1.28 (180deg=1.2) USER MOD Set 5.1: A 30 MET CE :methyl -175:sc= -0.889 (180deg=-0.977) USER MOD Set 5.2: A 99 SER OG : rot 180:sc= 0 USER MOD Set 6.1: A 28 SER OG : rot -90:sc= 1.22 USER MOD Set 6.2: A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 27:sc= 0.589 USER MOD Single : A 11 THR OG1 : rot -102:sc= 1.36 USER MOD Single : A 12 ASN : amide:sc= -1.11 K(o=-1.1,f=-2.9!) USER MOD Single : A 18 ASN : amide:sc=-0.00422 K(o=-0.0042,f=-1) USER MOD Single : A 20 MET CE :methyl -148:sc=-0.00819 (180deg=-1.04) USER MOD Single : A 21 ASN : amide:sc= 1.11 K(o=1.1,f=0) USER MOD Single : A 22 SER OG : rot 140:sc= 0 USER MOD Single : A 24 MET CE :methyl -144:sc= 0 (180deg=-0.0112) USER MOD Single : A 25 GLN : amide:sc= -0.105 X(o=-0.1,f=-0.21) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.165 USER MOD Single : A 36 SER OG : rot 180:sc= 0.011 USER MOD Single : A 41 MET CE :methyl -159:sc= -0.179 (180deg=-0.924) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 68:sc= 0.0777 USER MOD Single : A 46 GLN : amide:sc= -0.0346 X(o=-0.035,f=-0.022) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -112:sc= -0.0794 (180deg=-0.974) USER MOD Single : A 50 GLN : amide:sc= -2.63! C(o=-2.6!,f=-7.2!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -1.68 X(o=-1.7,f=-1.2) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN :FLIP amide:sc=-0.00704 F(o=-0.89,f=-0.007) USER MOD Single : A 61 THR OG1 : rot -170:sc= -0.254 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=-0.061) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN :FLIP amide:sc= -1.11 F(o=-1.6!,f=-1.1) USER MOD Single : A 75 SER OG : rot 180:sc= -1.07 USER MOD Single : A 76 SER OG : rot 82:sc= 1.67 USER MOD Single : A 77 MET CE :methyl -175:sc= -1.11 (180deg=-1.22) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 91:sc= 1.04 USER MOD Single : A 96 SER OG : rot 75:sc= 1.3 USER MOD Single : A 101 MET CE :methyl 171:sc= -1.43 (180deg=-1.7) USER MOD Single : A 102 SER OG : rot -85:sc= 1.03 USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 107 GLN : amide:sc= 0.0473 X(o=0.047,f=-0.12) USER MOD Single : A 108 THR OG1 : rot -80:sc= 1.04 USER MOD Single : A 109 THR OG1 : rot -42:sc= 1.08 USER MOD Single : A 113 ASN : amide:sc= -1.06 K(o=-1.1,f=-8.8!) USER MOD Single : A 125 SER OG : rot 87:sc= -1.45! USER MOD Single : A 126 MET CE :methyl -161:sc= -0.201 (180deg=-0.788) USER MOD Single : A 129 GLN : amide:sc= -0.0131 X(o=-0.013,f=-0.012) USER MOD ----------------------------------------------------------------- ATOM 81 N THR A 8 14.121 -0.560 -7.219 1.00 0.00 N ATOM 82 CA THR A 8 14.793 -0.041 -8.398 1.00 0.00 C ATOM 83 C THR A 8 16.165 -0.702 -8.521 1.00 0.00 C ATOM 84 O THR A 8 16.824 -0.941 -7.512 1.00 0.00 O ATOM 85 CB THR A 8 14.963 1.490 -8.297 1.00 0.00 C ATOM 86 OG1 THR A 8 13.878 2.047 -7.545 1.00 0.00 O ATOM 87 CG2 THR A 8 15.007 2.147 -9.673 1.00 0.00 C ATOM 0 HA THR A 8 14.190 -0.264 -9.278 1.00 0.00 H new ATOM 0 HB THR A 8 15.911 1.685 -7.796 1.00 0.00 H new ATOM 0 HG1 THR A 8 13.528 1.372 -6.927 1.00 0.00 H new ATOM 0 HG21 THR A 8 15.127 3.224 -9.558 1.00 0.00 H new ATOM 0 HG22 THR A 8 15.847 1.746 -10.241 1.00 0.00 H new ATOM 0 HG23 THR A 8 14.078 1.940 -10.205 1.00 0.00 H new ATOM 95 N PRO A 9 16.607 -1.025 -9.747 1.00 0.00 N ATOM 96 CA PRO A 9 17.916 -1.652 -9.972 1.00 0.00 C ATOM 97 C PRO A 9 19.077 -0.731 -9.600 1.00 0.00 C ATOM 98 O PRO A 9 20.189 -1.186 -9.343 1.00 0.00 O ATOM 99 CB PRO A 9 17.927 -1.934 -11.479 1.00 0.00 C ATOM 100 CG PRO A 9 16.932 -0.983 -12.054 1.00 0.00 C ATOM 101 CD PRO A 9 15.869 -0.822 -11.005 1.00 0.00 C ATOM 0 HA PRO A 9 18.047 -2.541 -9.356 1.00 0.00 H new ATOM 0 HB2 PRO A 9 18.918 -1.774 -11.904 1.00 0.00 H new ATOM 0 HB3 PRO A 9 17.653 -2.968 -11.690 1.00 0.00 H new ATOM 0 HG2 PRO A 9 17.397 -0.026 -12.290 1.00 0.00 H new ATOM 0 HG3 PRO A 9 16.511 -1.371 -12.982 1.00 0.00 H new ATOM 0 HD2 PRO A 9 15.408 0.165 -11.047 1.00 0.00 H new ATOM 0 HD3 PRO A 9 15.070 -1.553 -11.126 1.00 0.00 H new ATOM 109 N TRP A 10 18.803 0.569 -9.559 1.00 0.00 N ATOM 110 CA TRP A 10 19.841 1.560 -9.298 1.00 0.00 C ATOM 111 C TRP A 10 19.820 2.009 -7.836 1.00 0.00 C ATOM 112 O TRP A 10 20.295 3.093 -7.507 1.00 0.00 O ATOM 113 CB TRP A 10 19.649 2.781 -10.203 1.00 0.00 C ATOM 114 CG TRP A 10 19.303 2.459 -11.630 1.00 0.00 C ATOM 115 CD1 TRP A 10 18.311 3.039 -12.367 1.00 0.00 C ATOM 116 CD2 TRP A 10 19.928 1.493 -12.487 1.00 0.00 C ATOM 117 NE1 TRP A 10 18.280 2.499 -13.629 1.00 0.00 N ATOM 118 CE2 TRP A 10 19.262 1.549 -13.730 1.00 0.00 C ATOM 119 CE3 TRP A 10 20.984 0.589 -12.334 1.00 0.00 C ATOM 120 CZ2 TRP A 10 19.614 0.735 -14.802 1.00 0.00 C ATOM 121 CZ3 TRP A 10 21.333 -0.217 -13.400 1.00 0.00 C ATOM 122 CH2 TRP A 10 20.649 -0.138 -14.622 1.00 0.00 C ATOM 0 H TRP A 10 17.872 0.960 -9.703 1.00 0.00 H new ATOM 0 HA TRP A 10 20.804 1.095 -9.509 1.00 0.00 H new ATOM 0 HB2 TRP A 10 18.860 3.406 -9.784 1.00 0.00 H new ATOM 0 HB3 TRP A 10 20.564 3.373 -10.190 1.00 0.00 H new ATOM 0 HD1 TRP A 10 17.646 3.811 -12.009 1.00 0.00 H new ATOM 0 HE1 TRP A 10 17.631 2.762 -14.371 1.00 0.00 H new ATOM 0 HE3 TRP A 10 21.518 0.522 -11.398 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 19.087 0.791 -15.743 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 22.146 -0.920 -13.291 1.00 0.00 H new ATOM 0 HH2 TRP A 10 20.947 -0.781 -15.437 1.00 0.00 H new ATOM 133 N THR A 11 19.276 1.169 -6.965 1.00 0.00 N ATOM 134 CA THR A 11 19.158 1.500 -5.555 1.00 0.00 C ATOM 135 C THR A 11 20.515 1.492 -4.859 1.00 0.00 C ATOM 136 O THR A 11 20.871 2.441 -4.159 1.00 0.00 O ATOM 137 CB THR A 11 18.223 0.509 -4.842 1.00 0.00 C ATOM 138 OG1 THR A 11 18.408 -0.811 -5.381 1.00 0.00 O ATOM 139 CG2 THR A 11 16.767 0.935 -4.972 1.00 0.00 C ATOM 0 H THR A 11 18.909 0.250 -7.214 1.00 0.00 H new ATOM 0 HA THR A 11 18.742 2.506 -5.497 1.00 0.00 H new ATOM 0 HB THR A 11 18.475 0.502 -3.782 1.00 0.00 H new ATOM 0 HG1 THR A 11 17.679 -1.016 -6.003 1.00 0.00 H new ATOM 0 HG21 THR A 11 16.130 0.215 -4.458 1.00 0.00 H new ATOM 0 HG22 THR A 11 16.635 1.920 -4.525 1.00 0.00 H new ATOM 0 HG23 THR A 11 16.492 0.975 -6.026 1.00 0.00 H new ATOM 147 N ASN A 12 21.269 0.423 -5.061 1.00 0.00 N ATOM 148 CA ASN A 12 22.543 0.252 -4.385 1.00 0.00 C ATOM 149 C ASN A 12 23.663 0.082 -5.398 1.00 0.00 C ATOM 150 O ASN A 12 23.460 -0.496 -6.468 1.00 0.00 O ATOM 151 CB ASN A 12 22.498 -0.977 -3.478 1.00 0.00 C ATOM 152 CG ASN A 12 23.197 -0.778 -2.147 1.00 0.00 C ATOM 153 OD1 ASN A 12 23.251 0.327 -1.611 1.00 0.00 O ATOM 154 ND2 ASN A 12 23.724 -1.858 -1.598 1.00 0.00 N ATOM 0 H ASN A 12 21.019 -0.340 -5.690 1.00 0.00 H new ATOM 0 HA ASN A 12 22.732 1.142 -3.785 1.00 0.00 H new ATOM 0 HB2 ASN A 12 21.457 -1.245 -3.295 1.00 0.00 H new ATOM 0 HB3 ASN A 12 22.957 -1.818 -3.997 1.00 0.00 H new ATOM 0 HD21 ASN A 12 24.197 -1.793 -0.697 1.00 0.00 H new ATOM 0 HD22 ASN A 12 23.658 -2.757 -2.075 1.00 0.00 H new ATOM 161 N PRO A 13 24.857 0.581 -5.069 1.00 0.00 N ATOM 162 CA PRO A 13 26.045 0.441 -5.915 1.00 0.00 C ATOM 163 C PRO A 13 26.365 -1.018 -6.223 1.00 0.00 C ATOM 164 O PRO A 13 26.530 -1.398 -7.382 1.00 0.00 O ATOM 165 CB PRO A 13 27.158 1.051 -5.065 1.00 0.00 C ATOM 166 CG PRO A 13 26.466 1.961 -4.115 1.00 0.00 C ATOM 167 CD PRO A 13 25.137 1.342 -3.843 1.00 0.00 C ATOM 0 HA PRO A 13 25.912 0.921 -6.884 1.00 0.00 H new ATOM 0 HB2 PRO A 13 27.717 0.280 -4.535 1.00 0.00 H new ATOM 0 HB3 PRO A 13 27.872 1.595 -5.683 1.00 0.00 H new ATOM 0 HG2 PRO A 13 27.039 2.073 -3.195 1.00 0.00 H new ATOM 0 HG3 PRO A 13 26.352 2.957 -4.543 1.00 0.00 H new ATOM 0 HD2 PRO A 13 25.167 0.695 -2.967 1.00 0.00 H new ATOM 0 HD3 PRO A 13 24.373 2.097 -3.656 1.00 0.00 H new ATOM 175 N GLY A 14 26.447 -1.829 -5.171 1.00 0.00 N ATOM 176 CA GLY A 14 26.733 -3.242 -5.332 1.00 0.00 C ATOM 177 C GLY A 14 25.634 -3.966 -6.084 1.00 0.00 C ATOM 178 O GLY A 14 25.889 -4.952 -6.768 1.00 0.00 O ATOM 0 H GLY A 14 26.319 -1.529 -4.205 1.00 0.00 H new ATOM 0 HA2 GLY A 14 27.676 -3.362 -5.866 1.00 0.00 H new ATOM 0 HA3 GLY A 14 26.862 -3.699 -4.351 1.00 0.00 H new ATOM 182 N LEU A 15 24.410 -3.462 -5.965 1.00 0.00 N ATOM 183 CA LEU A 15 23.273 -4.035 -6.675 1.00 0.00 C ATOM 184 C LEU A 15 23.507 -3.901 -8.171 1.00 0.00 C ATOM 185 O LEU A 15 23.566 -4.896 -8.888 1.00 0.00 O ATOM 186 CB LEU A 15 21.976 -3.317 -6.265 1.00 0.00 C ATOM 187 CG LEU A 15 20.653 -4.050 -6.552 1.00 0.00 C ATOM 188 CD1 LEU A 15 20.426 -4.260 -8.043 1.00 0.00 C ATOM 189 CD2 LEU A 15 20.604 -5.380 -5.813 1.00 0.00 C ATOM 0 H LEU A 15 24.180 -2.657 -5.383 1.00 0.00 H new ATOM 0 HA LEU A 15 23.172 -5.090 -6.419 1.00 0.00 H new ATOM 0 HB2 LEU A 15 22.025 -3.112 -5.196 1.00 0.00 H new ATOM 0 HB3 LEU A 15 21.947 -2.353 -6.773 1.00 0.00 H new ATOM 0 HG LEU A 15 19.847 -3.414 -6.187 1.00 0.00 H new ATOM 0 HD11 LEU A 15 19.481 -4.781 -8.197 1.00 0.00 H new ATOM 0 HD12 LEU A 15 20.394 -3.293 -8.546 1.00 0.00 H new ATOM 0 HD13 LEU A 15 21.240 -4.856 -8.455 1.00 0.00 H new ATOM 0 HD21 LEU A 15 19.661 -5.882 -6.029 1.00 0.00 H new ATOM 0 HD22 LEU A 15 21.433 -6.008 -6.139 1.00 0.00 H new ATOM 0 HD23 LEU A 15 20.683 -5.203 -4.740 1.00 0.00 H new ATOM 201 N ALA A 16 23.657 -2.662 -8.621 1.00 0.00 N ATOM 202 CA ALA A 16 23.915 -2.372 -10.030 1.00 0.00 C ATOM 203 C ALA A 16 25.148 -3.116 -10.542 1.00 0.00 C ATOM 204 O ALA A 16 25.155 -3.626 -11.664 1.00 0.00 O ATOM 205 CB ALA A 16 24.080 -0.875 -10.233 1.00 0.00 C ATOM 0 H ALA A 16 23.604 -1.834 -8.027 1.00 0.00 H new ATOM 0 HA ALA A 16 23.057 -2.720 -10.605 1.00 0.00 H new ATOM 0 HB1 ALA A 16 24.272 -0.670 -11.286 1.00 0.00 H new ATOM 0 HB2 ALA A 16 23.169 -0.363 -9.924 1.00 0.00 H new ATOM 0 HB3 ALA A 16 24.918 -0.517 -9.635 1.00 0.00 H new ATOM 211 N GLU A 17 26.182 -3.182 -9.708 1.00 0.00 N ATOM 212 CA GLU A 17 27.421 -3.868 -10.064 1.00 0.00 C ATOM 213 C GLU A 17 27.160 -5.353 -10.321 1.00 0.00 C ATOM 214 O GLU A 17 27.516 -5.886 -11.375 1.00 0.00 O ATOM 215 CB GLU A 17 28.452 -3.691 -8.943 1.00 0.00 C ATOM 216 CG GLU A 17 29.848 -4.189 -9.291 1.00 0.00 C ATOM 217 CD GLU A 17 30.452 -3.474 -10.485 1.00 0.00 C ATOM 218 OE1 GLU A 17 30.827 -2.288 -10.353 1.00 0.00 O ATOM 219 OE2 GLU A 17 30.557 -4.099 -11.561 1.00 0.00 O ATOM 0 H GLU A 17 26.186 -2.767 -8.776 1.00 0.00 H new ATOM 0 HA GLU A 17 27.815 -3.430 -10.981 1.00 0.00 H new ATOM 0 HB2 GLU A 17 28.510 -2.634 -8.683 1.00 0.00 H new ATOM 0 HB3 GLU A 17 28.101 -4.219 -8.056 1.00 0.00 H new ATOM 0 HG2 GLU A 17 30.500 -4.058 -8.428 1.00 0.00 H new ATOM 0 HG3 GLU A 17 29.805 -5.258 -9.498 1.00 0.00 H new ATOM 226 N ASN A 18 26.512 -6.012 -9.367 1.00 0.00 N ATOM 227 CA ASN A 18 26.190 -7.424 -9.492 1.00 0.00 C ATOM 228 C ASN A 18 25.169 -7.646 -10.601 1.00 0.00 C ATOM 229 O ASN A 18 25.183 -8.679 -11.275 1.00 0.00 O ATOM 230 CB ASN A 18 25.649 -7.958 -8.167 1.00 0.00 C ATOM 231 CG ASN A 18 26.712 -8.038 -7.086 1.00 0.00 C ATOM 232 OD1 ASN A 18 27.891 -8.240 -7.371 1.00 0.00 O ATOM 233 ND2 ASN A 18 26.300 -7.883 -5.836 1.00 0.00 N ATOM 0 H ASN A 18 26.199 -5.586 -8.495 1.00 0.00 H new ATOM 0 HA ASN A 18 27.101 -7.964 -9.748 1.00 0.00 H new ATOM 0 HB2 ASN A 18 24.838 -7.315 -7.826 1.00 0.00 H new ATOM 0 HB3 ASN A 18 25.224 -8.949 -8.326 1.00 0.00 H new ATOM 0 HD21 ASN A 18 26.970 -7.930 -5.069 1.00 0.00 H new ATOM 0 HD22 ASN A 18 25.313 -7.717 -5.641 1.00 0.00 H new ATOM 240 N PHE A 19 24.290 -6.671 -10.785 1.00 0.00 N ATOM 241 CA PHE A 19 23.285 -6.723 -11.836 1.00 0.00 C ATOM 242 C PHE A 19 23.952 -6.776 -13.203 1.00 0.00 C ATOM 243 O PHE A 19 23.646 -7.646 -14.012 1.00 0.00 O ATOM 244 CB PHE A 19 22.355 -5.507 -11.744 1.00 0.00 C ATOM 245 CG PHE A 19 21.221 -5.523 -12.733 1.00 0.00 C ATOM 246 CD1 PHE A 19 20.076 -6.261 -12.479 1.00 0.00 C ATOM 247 CD2 PHE A 19 21.298 -4.795 -13.911 1.00 0.00 C ATOM 248 CE1 PHE A 19 19.030 -6.273 -13.382 1.00 0.00 C ATOM 249 CE2 PHE A 19 20.253 -4.805 -14.817 1.00 0.00 C ATOM 250 CZ PHE A 19 19.118 -5.545 -14.552 1.00 0.00 C ATOM 0 H PHE A 19 24.254 -5.827 -10.214 1.00 0.00 H new ATOM 0 HA PHE A 19 22.690 -7.627 -11.704 1.00 0.00 H new ATOM 0 HB2 PHE A 19 21.943 -5.454 -10.736 1.00 0.00 H new ATOM 0 HB3 PHE A 19 22.943 -4.602 -11.896 1.00 0.00 H new ATOM 0 HD1 PHE A 19 20.000 -6.833 -11.566 1.00 0.00 H new ATOM 0 HD2 PHE A 19 22.183 -4.214 -14.123 1.00 0.00 H new ATOM 0 HE1 PHE A 19 18.143 -6.852 -13.172 1.00 0.00 H new ATOM 0 HE2 PHE A 19 20.325 -4.234 -15.731 1.00 0.00 H new ATOM 0 HZ PHE A 19 18.301 -5.554 -15.258 1.00 0.00 H new ATOM 260 N MET A 20 24.880 -5.855 -13.447 1.00 0.00 N ATOM 261 CA MET A 20 25.582 -5.795 -14.727 1.00 0.00 C ATOM 262 C MET A 20 26.466 -7.018 -14.918 1.00 0.00 C ATOM 263 O MET A 20 26.603 -7.532 -16.028 1.00 0.00 O ATOM 264 CB MET A 20 26.422 -4.521 -14.827 1.00 0.00 C ATOM 265 CG MET A 20 25.590 -3.249 -14.862 1.00 0.00 C ATOM 266 SD MET A 20 24.483 -3.179 -16.283 1.00 0.00 S ATOM 267 CE MET A 20 23.693 -1.596 -16.010 1.00 0.00 C ATOM 0 H MET A 20 25.164 -5.140 -12.777 1.00 0.00 H new ATOM 0 HA MET A 20 24.832 -5.781 -15.518 1.00 0.00 H new ATOM 0 HB2 MET A 20 27.104 -4.477 -13.978 1.00 0.00 H new ATOM 0 HB3 MET A 20 27.036 -4.569 -15.726 1.00 0.00 H new ATOM 0 HG2 MET A 20 25.003 -3.178 -13.946 1.00 0.00 H new ATOM 0 HG3 MET A 20 26.255 -2.386 -14.882 1.00 0.00 H new ATOM 0 HE1 MET A 20 22.671 -1.630 -16.387 1.00 0.00 H new ATOM 0 HE2 MET A 20 23.679 -1.376 -14.943 1.00 0.00 H new ATOM 0 HE3 MET A 20 24.248 -0.817 -16.534 1.00 0.00 H new ATOM 277 N ASN A 21 27.057 -7.488 -13.826 1.00 0.00 N ATOM 278 CA ASN A 21 27.872 -8.688 -13.854 1.00 0.00 C ATOM 279 C ASN A 21 27.046 -9.882 -14.313 1.00 0.00 C ATOM 280 O ASN A 21 27.413 -10.573 -15.262 1.00 0.00 O ATOM 281 CB ASN A 21 28.465 -8.951 -12.471 1.00 0.00 C ATOM 282 CG ASN A 21 29.873 -8.407 -12.317 1.00 0.00 C ATOM 283 OD1 ASN A 21 30.854 -9.119 -12.548 1.00 0.00 O ATOM 284 ND2 ASN A 21 29.987 -7.143 -11.932 1.00 0.00 N ATOM 0 H ASN A 21 26.984 -7.051 -12.907 1.00 0.00 H new ATOM 0 HA ASN A 21 28.687 -8.541 -14.563 1.00 0.00 H new ATOM 0 HB2 ASN A 21 27.822 -8.500 -11.714 1.00 0.00 H new ATOM 0 HB3 ASN A 21 28.474 -10.025 -12.284 1.00 0.00 H new ATOM 0 HD21 ASN A 21 30.911 -6.726 -11.817 1.00 0.00 H new ATOM 0 HD22 ASN A 21 29.151 -6.588 -11.751 1.00 0.00 H new ATOM 291 N SER A 22 25.911 -10.101 -13.655 1.00 0.00 N ATOM 292 CA SER A 22 25.032 -11.212 -13.994 1.00 0.00 C ATOM 293 C SER A 22 24.371 -10.982 -15.352 1.00 0.00 C ATOM 294 O SER A 22 24.054 -11.935 -16.067 1.00 0.00 O ATOM 295 CB SER A 22 23.969 -11.401 -12.909 1.00 0.00 C ATOM 296 OG SER A 22 23.227 -12.591 -13.118 1.00 0.00 O ATOM 0 H SER A 22 25.580 -9.522 -12.883 1.00 0.00 H new ATOM 0 HA SER A 22 25.633 -12.119 -14.054 1.00 0.00 H new ATOM 0 HB2 SER A 22 24.447 -11.435 -11.930 1.00 0.00 H new ATOM 0 HB3 SER A 22 23.294 -10.545 -12.905 1.00 0.00 H new ATOM 0 HG SER A 22 23.065 -13.031 -12.257 1.00 0.00 H new ATOM 302 N PHE A 23 24.161 -9.712 -15.696 1.00 0.00 N ATOM 303 CA PHE A 23 23.626 -9.338 -16.999 1.00 0.00 C ATOM 304 C PHE A 23 24.516 -9.880 -18.108 1.00 0.00 C ATOM 305 O PHE A 23 24.044 -10.559 -19.020 1.00 0.00 O ATOM 306 CB PHE A 23 23.511 -7.812 -17.099 1.00 0.00 C ATOM 307 CG PHE A 23 23.174 -7.296 -18.472 1.00 0.00 C ATOM 308 CD1 PHE A 23 21.934 -7.539 -19.039 1.00 0.00 C ATOM 309 CD2 PHE A 23 24.106 -6.566 -19.194 1.00 0.00 C ATOM 310 CE1 PHE A 23 21.628 -7.062 -20.300 1.00 0.00 C ATOM 311 CE2 PHE A 23 23.806 -6.088 -20.454 1.00 0.00 C ATOM 312 CZ PHE A 23 22.566 -6.336 -21.008 1.00 0.00 C ATOM 0 H PHE A 23 24.356 -8.921 -15.083 1.00 0.00 H new ATOM 0 HA PHE A 23 22.632 -9.771 -17.112 1.00 0.00 H new ATOM 0 HB2 PHE A 23 22.747 -7.472 -16.400 1.00 0.00 H new ATOM 0 HB3 PHE A 23 24.454 -7.368 -16.780 1.00 0.00 H new ATOM 0 HD1 PHE A 23 21.198 -8.107 -18.490 1.00 0.00 H new ATOM 0 HD2 PHE A 23 25.078 -6.369 -18.766 1.00 0.00 H new ATOM 0 HE1 PHE A 23 20.657 -7.257 -20.731 1.00 0.00 H new ATOM 0 HE2 PHE A 23 24.541 -5.521 -21.006 1.00 0.00 H new ATOM 0 HZ PHE A 23 22.330 -5.963 -21.994 1.00 0.00 H new ATOM 322 N MET A 24 25.813 -9.608 -18.004 1.00 0.00 N ATOM 323 CA MET A 24 26.769 -10.058 -19.007 1.00 0.00 C ATOM 324 C MET A 24 26.909 -11.577 -18.995 1.00 0.00 C ATOM 325 O MET A 24 27.138 -12.187 -20.036 1.00 0.00 O ATOM 326 CB MET A 24 28.130 -9.395 -18.792 1.00 0.00 C ATOM 327 CG MET A 24 28.173 -7.974 -19.316 1.00 0.00 C ATOM 328 SD MET A 24 27.859 -7.902 -21.088 1.00 0.00 S ATOM 329 CE MET A 24 27.609 -6.149 -21.310 1.00 0.00 C ATOM 0 H MET A 24 26.225 -9.079 -17.236 1.00 0.00 H new ATOM 0 HA MET A 24 26.389 -9.762 -19.985 1.00 0.00 H new ATOM 0 HB2 MET A 24 28.366 -9.394 -17.728 1.00 0.00 H new ATOM 0 HB3 MET A 24 28.900 -9.985 -19.288 1.00 0.00 H new ATOM 0 HG2 MET A 24 27.432 -7.371 -18.791 1.00 0.00 H new ATOM 0 HG3 MET A 24 29.149 -7.538 -19.102 1.00 0.00 H new ATOM 0 HE1 MET A 24 26.842 -5.984 -22.066 1.00 0.00 H new ATOM 0 HE2 MET A 24 27.291 -5.705 -20.367 1.00 0.00 H new ATOM 0 HE3 MET A 24 28.542 -5.686 -21.633 1.00 0.00 H new ATOM 339 N GLN A 25 26.756 -12.186 -17.818 1.00 0.00 N ATOM 340 CA GLN A 25 26.812 -13.642 -17.692 1.00 0.00 C ATOM 341 C GLN A 25 25.757 -14.310 -18.570 1.00 0.00 C ATOM 342 O GLN A 25 25.962 -15.410 -19.086 1.00 0.00 O ATOM 343 CB GLN A 25 26.605 -14.065 -16.236 1.00 0.00 C ATOM 344 CG GLN A 25 27.732 -13.651 -15.308 1.00 0.00 C ATOM 345 CD GLN A 25 29.061 -14.270 -15.695 1.00 0.00 C ATOM 346 OE1 GLN A 25 29.836 -13.689 -16.455 1.00 0.00 O ATOM 347 NE2 GLN A 25 29.333 -15.452 -15.173 1.00 0.00 N ATOM 0 H GLN A 25 26.593 -11.694 -16.940 1.00 0.00 H new ATOM 0 HA GLN A 25 27.799 -13.963 -18.023 1.00 0.00 H new ATOM 0 HB2 GLN A 25 25.672 -13.635 -15.872 1.00 0.00 H new ATOM 0 HB3 GLN A 25 26.494 -15.149 -16.195 1.00 0.00 H new ATOM 0 HG2 GLN A 25 27.825 -12.565 -15.316 1.00 0.00 H new ATOM 0 HG3 GLN A 25 27.483 -13.942 -14.287 1.00 0.00 H new ATOM 0 HE21 GLN A 25 28.663 -15.900 -14.547 1.00 0.00 H new ATOM 0 HE22 GLN A 25 30.213 -15.918 -15.395 1.00 0.00 H new ATOM 356 N GLY A 26 24.624 -13.644 -18.728 1.00 0.00 N ATOM 357 CA GLY A 26 23.585 -14.159 -19.589 1.00 0.00 C ATOM 358 C GLY A 26 23.691 -13.616 -20.997 1.00 0.00 C ATOM 359 O GLY A 26 23.435 -14.326 -21.968 1.00 0.00 O ATOM 0 H GLY A 26 24.407 -12.756 -18.275 1.00 0.00 H new ATOM 0 HA2 GLY A 26 23.643 -15.247 -19.615 1.00 0.00 H new ATOM 0 HA3 GLY A 26 22.610 -13.902 -19.174 1.00 0.00 H new ATOM 363 N LEU A 27 24.096 -12.357 -21.108 1.00 0.00 N ATOM 364 CA LEU A 27 24.143 -11.671 -22.392 1.00 0.00 C ATOM 365 C LEU A 27 25.225 -12.234 -23.306 1.00 0.00 C ATOM 366 O LEU A 27 25.050 -12.280 -24.522 1.00 0.00 O ATOM 367 CB LEU A 27 24.385 -10.182 -22.192 1.00 0.00 C ATOM 368 CG LEU A 27 24.145 -9.335 -23.436 1.00 0.00 C ATOM 369 CD1 LEU A 27 22.656 -9.141 -23.660 1.00 0.00 C ATOM 370 CD2 LEU A 27 24.857 -8.005 -23.319 1.00 0.00 C ATOM 0 H LEU A 27 24.399 -11.787 -20.318 1.00 0.00 H new ATOM 0 HA LEU A 27 23.176 -11.831 -22.870 1.00 0.00 H new ATOM 0 HB2 LEU A 27 23.736 -9.824 -21.393 1.00 0.00 H new ATOM 0 HB3 LEU A 27 25.412 -10.034 -21.859 1.00 0.00 H new ATOM 0 HG LEU A 27 24.554 -9.858 -24.301 1.00 0.00 H new ATOM 0 HD11 LEU A 27 22.498 -8.534 -24.552 1.00 0.00 H new ATOM 0 HD12 LEU A 27 22.178 -10.112 -23.792 1.00 0.00 H new ATOM 0 HD13 LEU A 27 22.221 -8.637 -22.797 1.00 0.00 H new ATOM 0 HD21 LEU A 27 24.674 -7.414 -24.216 1.00 0.00 H new ATOM 0 HD22 LEU A 27 24.483 -7.467 -22.448 1.00 0.00 H new ATOM 0 HD23 LEU A 27 25.928 -8.174 -23.208 1.00 0.00 H new ATOM 382 N SER A 28 26.336 -12.668 -22.725 1.00 0.00 N ATOM 383 CA SER A 28 27.447 -13.194 -23.500 1.00 0.00 C ATOM 384 C SER A 28 27.041 -14.463 -24.245 1.00 0.00 C ATOM 385 O SER A 28 27.668 -14.849 -25.229 1.00 0.00 O ATOM 386 CB SER A 28 28.626 -13.475 -22.571 1.00 0.00 C ATOM 387 OG SER A 28 28.210 -14.220 -21.438 1.00 0.00 O ATOM 0 H SER A 28 26.490 -12.665 -21.717 1.00 0.00 H new ATOM 0 HA SER A 28 27.741 -12.452 -24.242 1.00 0.00 H new ATOM 0 HB2 SER A 28 29.396 -14.026 -23.111 1.00 0.00 H new ATOM 0 HB3 SER A 28 29.073 -12.534 -22.249 1.00 0.00 H new ATOM 0 HG SER A 28 27.943 -13.606 -20.723 1.00 0.00 H new ATOM 393 N SER A 29 25.975 -15.095 -23.775 1.00 0.00 N ATOM 394 CA SER A 29 25.488 -16.320 -24.373 1.00 0.00 C ATOM 395 C SER A 29 24.283 -16.045 -25.271 1.00 0.00 C ATOM 396 O SER A 29 23.696 -16.967 -25.840 1.00 0.00 O ATOM 397 CB SER A 29 25.117 -17.307 -23.270 1.00 0.00 C ATOM 398 OG SER A 29 26.183 -17.454 -22.344 1.00 0.00 O ATOM 0 H SER A 29 25.430 -14.773 -22.975 1.00 0.00 H new ATOM 0 HA SER A 29 26.275 -16.749 -24.993 1.00 0.00 H new ATOM 0 HB2 SER A 29 24.224 -16.960 -22.751 1.00 0.00 H new ATOM 0 HB3 SER A 29 24.875 -18.275 -23.709 1.00 0.00 H new ATOM 0 HG SER A 29 25.923 -18.090 -21.645 1.00 0.00 H new ATOM 404 N MET A 30 23.920 -14.773 -25.403 1.00 0.00 N ATOM 405 CA MET A 30 22.767 -14.391 -26.208 1.00 0.00 C ATOM 406 C MET A 30 23.149 -14.254 -27.676 1.00 0.00 C ATOM 407 O MET A 30 24.082 -13.522 -28.016 1.00 0.00 O ATOM 408 CB MET A 30 22.187 -13.070 -25.712 1.00 0.00 C ATOM 409 CG MET A 30 21.623 -13.122 -24.301 1.00 0.00 C ATOM 410 SD MET A 30 20.102 -14.082 -24.181 1.00 0.00 S ATOM 411 CE MET A 30 19.645 -13.767 -22.475 1.00 0.00 C ATOM 0 H MET A 30 24.407 -13.992 -24.964 1.00 0.00 H new ATOM 0 HA MET A 30 22.018 -15.176 -26.110 1.00 0.00 H new ATOM 0 HB2 MET A 30 22.965 -12.308 -25.751 1.00 0.00 H new ATOM 0 HB3 MET A 30 21.398 -12.755 -26.394 1.00 0.00 H new ATOM 0 HG2 MET A 30 22.370 -13.551 -23.633 1.00 0.00 H new ATOM 0 HG3 MET A 30 21.432 -12.106 -23.955 1.00 0.00 H new ATOM 0 HE1 MET A 30 18.770 -14.363 -22.217 1.00 0.00 H new ATOM 0 HE2 MET A 30 20.474 -14.037 -21.821 1.00 0.00 H new ATOM 0 HE3 MET A 30 19.413 -12.709 -22.350 1.00 0.00 H new ATOM 421 N PRO A 31 22.437 -14.958 -28.565 1.00 0.00 N ATOM 422 CA PRO A 31 22.651 -14.856 -30.008 1.00 0.00 C ATOM 423 C PRO A 31 22.176 -13.513 -30.562 1.00 0.00 C ATOM 424 O PRO A 31 21.075 -13.054 -30.253 1.00 0.00 O ATOM 425 CB PRO A 31 21.807 -16.001 -30.578 1.00 0.00 C ATOM 426 CG PRO A 31 20.751 -16.246 -29.557 1.00 0.00 C ATOM 427 CD PRO A 31 21.370 -15.919 -28.226 1.00 0.00 C ATOM 0 HA PRO A 31 23.707 -14.921 -30.272 1.00 0.00 H new ATOM 0 HB2 PRO A 31 21.371 -15.729 -31.539 1.00 0.00 H new ATOM 0 HB3 PRO A 31 22.411 -16.893 -30.743 1.00 0.00 H new ATOM 0 HG2 PRO A 31 19.877 -15.622 -29.744 1.00 0.00 H new ATOM 0 HG3 PRO A 31 20.415 -17.282 -29.586 1.00 0.00 H new ATOM 0 HD2 PRO A 31 20.642 -15.484 -27.541 1.00 0.00 H new ATOM 0 HD3 PRO A 31 21.771 -16.809 -27.741 1.00 0.00 H new ATOM 435 N GLY A 32 23.017 -12.879 -31.363 1.00 0.00 N ATOM 436 CA GLY A 32 22.659 -11.605 -31.955 1.00 0.00 C ATOM 437 C GLY A 32 23.747 -10.570 -31.773 1.00 0.00 C ATOM 438 O GLY A 32 23.891 -9.655 -32.585 1.00 0.00 O ATOM 0 H GLY A 32 23.943 -13.223 -31.615 1.00 0.00 H new ATOM 0 HA2 GLY A 32 22.463 -11.742 -33.018 1.00 0.00 H new ATOM 0 HA3 GLY A 32 21.735 -11.243 -31.504 1.00 0.00 H new ATOM 442 N PHE A 33 24.512 -10.712 -30.703 1.00 0.00 N ATOM 443 CA PHE A 33 25.621 -9.810 -30.435 1.00 0.00 C ATOM 444 C PHE A 33 26.955 -10.514 -30.654 1.00 0.00 C ATOM 445 O PHE A 33 27.003 -11.645 -31.137 1.00 0.00 O ATOM 446 CB PHE A 33 25.552 -9.272 -29.003 1.00 0.00 C ATOM 447 CG PHE A 33 24.438 -8.293 -28.767 1.00 0.00 C ATOM 448 CD1 PHE A 33 24.542 -6.985 -29.214 1.00 0.00 C ATOM 449 CD2 PHE A 33 23.295 -8.676 -28.086 1.00 0.00 C ATOM 450 CE1 PHE A 33 23.531 -6.078 -28.987 1.00 0.00 C ATOM 451 CE2 PHE A 33 22.276 -7.771 -27.857 1.00 0.00 C ATOM 452 CZ PHE A 33 22.395 -6.469 -28.307 1.00 0.00 C ATOM 0 H PHE A 33 24.385 -11.444 -30.005 1.00 0.00 H new ATOM 0 HA PHE A 33 25.544 -8.974 -31.130 1.00 0.00 H new ATOM 0 HB2 PHE A 33 25.435 -10.111 -28.317 1.00 0.00 H new ATOM 0 HB3 PHE A 33 26.500 -8.792 -28.761 1.00 0.00 H new ATOM 0 HD1 PHE A 33 25.428 -6.673 -29.747 1.00 0.00 H new ATOM 0 HD2 PHE A 33 23.199 -9.691 -27.731 1.00 0.00 H new ATOM 0 HE1 PHE A 33 23.627 -5.062 -29.341 1.00 0.00 H new ATOM 0 HE2 PHE A 33 21.387 -8.080 -27.327 1.00 0.00 H new ATOM 0 HZ PHE A 33 21.601 -5.759 -28.127 1.00 0.00 H new ATOM 462 N THR A 34 28.031 -9.827 -30.303 1.00 0.00 N ATOM 463 CA THR A 34 29.371 -10.376 -30.400 1.00 0.00 C ATOM 464 C THR A 34 30.260 -9.695 -29.370 1.00 0.00 C ATOM 465 O THR A 34 29.898 -8.637 -28.855 1.00 0.00 O ATOM 466 CB THR A 34 29.966 -10.197 -31.818 1.00 0.00 C ATOM 467 OG1 THR A 34 31.320 -10.666 -31.848 1.00 0.00 O ATOM 468 CG2 THR A 34 29.925 -8.739 -32.257 1.00 0.00 C ATOM 0 H THR A 34 27.998 -8.873 -29.943 1.00 0.00 H new ATOM 0 HA THR A 34 29.319 -11.447 -30.204 1.00 0.00 H new ATOM 0 HB THR A 34 29.359 -10.782 -32.509 1.00 0.00 H new ATOM 0 HG1 THR A 34 31.686 -10.550 -32.749 1.00 0.00 H new ATOM 0 HG21 THR A 34 30.350 -8.648 -33.257 1.00 0.00 H new ATOM 0 HG22 THR A 34 28.892 -8.392 -32.269 1.00 0.00 H new ATOM 0 HG23 THR A 34 30.504 -8.133 -31.560 1.00 0.00 H new ATOM 476 N ALA A 35 31.408 -10.296 -29.078 1.00 0.00 N ATOM 477 CA ALA A 35 32.334 -9.769 -28.078 1.00 0.00 C ATOM 478 C ALA A 35 32.661 -8.302 -28.334 1.00 0.00 C ATOM 479 O ALA A 35 32.785 -7.515 -27.399 1.00 0.00 O ATOM 480 CB ALA A 35 33.607 -10.597 -28.056 1.00 0.00 C ATOM 0 H ALA A 35 31.723 -11.157 -29.524 1.00 0.00 H new ATOM 0 HA ALA A 35 31.847 -9.834 -27.105 1.00 0.00 H new ATOM 0 HB1 ALA A 35 34.290 -10.195 -27.307 1.00 0.00 H new ATOM 0 HB2 ALA A 35 33.365 -11.630 -27.809 1.00 0.00 H new ATOM 0 HB3 ALA A 35 34.082 -10.560 -29.036 1.00 0.00 H new ATOM 486 N SER A 36 32.778 -7.937 -29.603 1.00 0.00 N ATOM 487 CA SER A 36 33.072 -6.563 -29.984 1.00 0.00 C ATOM 488 C SER A 36 31.969 -5.616 -29.503 1.00 0.00 C ATOM 489 O SER A 36 32.247 -4.545 -28.962 1.00 0.00 O ATOM 490 CB SER A 36 33.220 -6.482 -31.503 1.00 0.00 C ATOM 491 OG SER A 36 33.984 -7.573 -31.991 1.00 0.00 O ATOM 0 H SER A 36 32.673 -8.577 -30.390 1.00 0.00 H new ATOM 0 HA SER A 36 34.005 -6.255 -29.512 1.00 0.00 H new ATOM 0 HB2 SER A 36 32.235 -6.484 -31.970 1.00 0.00 H new ATOM 0 HB3 SER A 36 33.701 -5.543 -31.777 1.00 0.00 H new ATOM 0 HG SER A 36 34.066 -7.505 -32.965 1.00 0.00 H new ATOM 497 N GLN A 37 30.721 -6.033 -29.678 1.00 0.00 N ATOM 498 CA GLN A 37 29.575 -5.227 -29.276 1.00 0.00 C ATOM 499 C GLN A 37 29.388 -5.291 -27.760 1.00 0.00 C ATOM 500 O GLN A 37 28.923 -4.338 -27.137 1.00 0.00 O ATOM 501 CB GLN A 37 28.309 -5.711 -29.993 1.00 0.00 C ATOM 502 CG GLN A 37 28.401 -5.624 -31.510 1.00 0.00 C ATOM 503 CD GLN A 37 27.163 -6.154 -32.213 1.00 0.00 C ATOM 504 OE1 GLN A 37 26.050 -6.053 -31.706 1.00 0.00 O ATOM 505 NE2 GLN A 37 27.351 -6.746 -33.380 1.00 0.00 N ATOM 0 H GLN A 37 30.476 -6.930 -30.098 1.00 0.00 H new ATOM 0 HA GLN A 37 29.759 -4.190 -29.559 1.00 0.00 H new ATOM 0 HB2 GLN A 37 28.111 -6.744 -29.707 1.00 0.00 H new ATOM 0 HB3 GLN A 37 27.459 -5.118 -29.654 1.00 0.00 H new ATOM 0 HG2 GLN A 37 28.559 -4.585 -31.800 1.00 0.00 H new ATOM 0 HG3 GLN A 37 29.272 -6.185 -31.848 1.00 0.00 H new ATOM 0 HE21 GLN A 37 28.290 -6.813 -33.773 1.00 0.00 H new ATOM 0 HE22 GLN A 37 26.557 -7.136 -33.888 1.00 0.00 H new ATOM 514 N LEU A 38 29.776 -6.418 -27.172 1.00 0.00 N ATOM 515 CA LEU A 38 29.669 -6.610 -25.728 1.00 0.00 C ATOM 516 C LEU A 38 30.702 -5.762 -24.993 1.00 0.00 C ATOM 517 O LEU A 38 30.427 -5.233 -23.917 1.00 0.00 O ATOM 518 CB LEU A 38 29.863 -8.087 -25.365 1.00 0.00 C ATOM 519 CG LEU A 38 28.875 -9.060 -26.016 1.00 0.00 C ATOM 520 CD1 LEU A 38 29.171 -10.485 -25.582 1.00 0.00 C ATOM 521 CD2 LEU A 38 27.444 -8.682 -25.673 1.00 0.00 C ATOM 0 H LEU A 38 30.168 -7.215 -27.674 1.00 0.00 H new ATOM 0 HA LEU A 38 28.671 -6.296 -25.421 1.00 0.00 H new ATOM 0 HB2 LEU A 38 30.874 -8.382 -25.644 1.00 0.00 H new ATOM 0 HB3 LEU A 38 29.788 -8.190 -24.282 1.00 0.00 H new ATOM 0 HG LEU A 38 28.993 -8.997 -27.098 1.00 0.00 H new ATOM 0 HD11 LEU A 38 28.460 -11.164 -26.053 1.00 0.00 H new ATOM 0 HD12 LEU A 38 30.184 -10.754 -25.882 1.00 0.00 H new ATOM 0 HD13 LEU A 38 29.082 -10.561 -24.498 1.00 0.00 H new ATOM 0 HD21 LEU A 38 26.759 -9.386 -26.145 1.00 0.00 H new ATOM 0 HD22 LEU A 38 27.308 -8.714 -24.592 1.00 0.00 H new ATOM 0 HD23 LEU A 38 27.237 -7.675 -26.035 1.00 0.00 H new ATOM 533 N ASP A 39 31.886 -5.637 -25.590 1.00 0.00 N ATOM 534 CA ASP A 39 32.984 -4.871 -25.000 1.00 0.00 C ATOM 535 C ASP A 39 32.557 -3.439 -24.695 1.00 0.00 C ATOM 536 O ASP A 39 32.648 -2.983 -23.552 1.00 0.00 O ATOM 537 CB ASP A 39 34.180 -4.864 -25.946 1.00 0.00 C ATOM 538 CG ASP A 39 35.369 -4.112 -25.386 1.00 0.00 C ATOM 539 OD1 ASP A 39 35.445 -2.881 -25.572 1.00 0.00 O ATOM 540 OD2 ASP A 39 36.250 -4.753 -24.780 1.00 0.00 O ATOM 0 H ASP A 39 32.111 -6.060 -26.490 1.00 0.00 H new ATOM 0 HA ASP A 39 33.264 -5.349 -24.062 1.00 0.00 H new ATOM 0 HB2 ASP A 39 34.474 -5.892 -26.160 1.00 0.00 H new ATOM 0 HB3 ASP A 39 33.885 -4.413 -26.894 1.00 0.00 H new ATOM 545 N ASP A 40 32.070 -2.746 -25.718 1.00 0.00 N ATOM 546 CA ASP A 40 31.639 -1.364 -25.576 1.00 0.00 C ATOM 547 C ASP A 40 30.460 -1.261 -24.626 1.00 0.00 C ATOM 548 O ASP A 40 30.386 -0.346 -23.810 1.00 0.00 O ATOM 549 CB ASP A 40 31.262 -0.784 -26.938 1.00 0.00 C ATOM 550 CG ASP A 40 32.464 -0.290 -27.719 1.00 0.00 C ATOM 551 OD1 ASP A 40 33.052 -1.086 -28.482 1.00 0.00 O ATOM 552 OD2 ASP A 40 32.817 0.902 -27.585 1.00 0.00 O ATOM 0 H ASP A 40 31.964 -3.123 -26.660 1.00 0.00 H new ATOM 0 HA ASP A 40 32.468 -0.791 -25.162 1.00 0.00 H new ATOM 0 HB2 ASP A 40 30.743 -1.545 -27.521 1.00 0.00 H new ATOM 0 HB3 ASP A 40 30.563 0.040 -26.796 1.00 0.00 H new ATOM 557 N MET A 41 29.550 -2.222 -24.720 1.00 0.00 N ATOM 558 CA MET A 41 28.366 -2.243 -23.879 1.00 0.00 C ATOM 559 C MET A 41 28.749 -2.388 -22.409 1.00 0.00 C ATOM 560 O MET A 41 28.138 -1.779 -21.533 1.00 0.00 O ATOM 561 CB MET A 41 27.451 -3.386 -24.305 1.00 0.00 C ATOM 562 CG MET A 41 26.079 -3.331 -23.665 1.00 0.00 C ATOM 563 SD MET A 41 24.980 -4.637 -24.246 1.00 0.00 S ATOM 564 CE MET A 41 24.909 -4.281 -26.002 1.00 0.00 C ATOM 0 H MET A 41 29.613 -3.001 -25.376 1.00 0.00 H new ATOM 0 HA MET A 41 27.836 -1.298 -23.998 1.00 0.00 H new ATOM 0 HB2 MET A 41 27.339 -3.367 -25.389 1.00 0.00 H new ATOM 0 HB3 MET A 41 27.924 -4.334 -24.050 1.00 0.00 H new ATOM 0 HG2 MET A 41 26.185 -3.407 -22.583 1.00 0.00 H new ATOM 0 HG3 MET A 41 25.625 -2.362 -23.873 1.00 0.00 H new ATOM 0 HE1 MET A 41 24.016 -4.736 -26.430 1.00 0.00 H new ATOM 0 HE2 MET A 41 24.875 -3.202 -26.153 1.00 0.00 H new ATOM 0 HE3 MET A 41 25.793 -4.688 -26.492 1.00 0.00 H new ATOM 574 N SER A 42 29.771 -3.190 -22.151 1.00 0.00 N ATOM 575 CA SER A 42 30.286 -3.377 -20.803 1.00 0.00 C ATOM 576 C SER A 42 30.835 -2.059 -20.259 1.00 0.00 C ATOM 577 O SER A 42 30.618 -1.712 -19.095 1.00 0.00 O ATOM 578 CB SER A 42 31.372 -4.459 -20.807 1.00 0.00 C ATOM 579 OG SER A 42 31.908 -4.667 -19.512 1.00 0.00 O ATOM 0 H SER A 42 30.264 -3.726 -22.865 1.00 0.00 H new ATOM 0 HA SER A 42 29.474 -3.701 -20.152 1.00 0.00 H new ATOM 0 HB2 SER A 42 30.954 -5.393 -21.182 1.00 0.00 H new ATOM 0 HB3 SER A 42 32.171 -4.170 -21.490 1.00 0.00 H new ATOM 0 HG SER A 42 32.596 -5.364 -19.551 1.00 0.00 H new ATOM 585 N THR A 43 31.523 -1.319 -21.115 1.00 0.00 N ATOM 586 CA THR A 43 32.061 -0.020 -20.743 1.00 0.00 C ATOM 587 C THR A 43 30.934 0.985 -20.488 1.00 0.00 C ATOM 588 O THR A 43 31.037 1.841 -19.608 1.00 0.00 O ATOM 589 CB THR A 43 33.009 0.514 -21.833 1.00 0.00 C ATOM 590 OG1 THR A 43 34.033 -0.454 -22.097 1.00 0.00 O ATOM 591 CG2 THR A 43 33.652 1.827 -21.406 1.00 0.00 C ATOM 0 H THR A 43 31.722 -1.598 -22.076 1.00 0.00 H new ATOM 0 HA THR A 43 32.628 -0.147 -19.821 1.00 0.00 H new ATOM 0 HB THR A 43 32.424 0.693 -22.735 1.00 0.00 H new ATOM 0 HG1 THR A 43 33.636 -1.242 -22.524 1.00 0.00 H new ATOM 0 HG21 THR A 43 34.316 2.180 -22.195 1.00 0.00 H new ATOM 0 HG22 THR A 43 32.876 2.570 -21.225 1.00 0.00 H new ATOM 0 HG23 THR A 43 34.225 1.671 -20.492 1.00 0.00 H new ATOM 599 N ILE A 44 29.847 0.863 -21.242 1.00 0.00 N ATOM 600 CA ILE A 44 28.678 1.705 -21.023 1.00 0.00 C ATOM 601 C ILE A 44 28.063 1.393 -19.665 1.00 0.00 C ATOM 602 O ILE A 44 27.638 2.291 -18.935 1.00 0.00 O ATOM 603 CB ILE A 44 27.606 1.511 -22.116 1.00 0.00 C ATOM 604 CG1 ILE A 44 28.189 1.787 -23.506 1.00 0.00 C ATOM 605 CG2 ILE A 44 26.411 2.413 -21.847 1.00 0.00 C ATOM 606 CD1 ILE A 44 28.828 3.152 -23.643 1.00 0.00 C ATOM 0 H ILE A 44 29.751 0.193 -22.006 1.00 0.00 H new ATOM 0 HA ILE A 44 29.016 2.741 -21.061 1.00 0.00 H new ATOM 0 HB ILE A 44 27.272 0.474 -22.091 1.00 0.00 H new ATOM 0 HG12 ILE A 44 28.933 1.024 -23.735 1.00 0.00 H new ATOM 0 HG13 ILE A 44 27.396 1.692 -24.247 1.00 0.00 H new ATOM 0 HG21 ILE A 44 25.662 2.266 -22.625 1.00 0.00 H new ATOM 0 HG22 ILE A 44 25.980 2.166 -20.877 1.00 0.00 H new ATOM 0 HG23 ILE A 44 26.734 3.454 -21.846 1.00 0.00 H new ATOM 0 HD11 ILE A 44 29.217 3.272 -24.654 1.00 0.00 H new ATOM 0 HD12 ILE A 44 28.084 3.924 -23.447 1.00 0.00 H new ATOM 0 HD13 ILE A 44 29.644 3.245 -22.927 1.00 0.00 H new ATOM 618 N ALA A 45 28.037 0.110 -19.328 1.00 0.00 N ATOM 619 CA ALA A 45 27.562 -0.336 -18.026 1.00 0.00 C ATOM 620 C ALA A 45 28.407 0.281 -16.912 1.00 0.00 C ATOM 621 O ALA A 45 27.902 0.593 -15.831 1.00 0.00 O ATOM 622 CB ALA A 45 27.596 -1.855 -17.942 1.00 0.00 C ATOM 0 H ALA A 45 28.342 -0.644 -19.944 1.00 0.00 H new ATOM 0 HA ALA A 45 26.531 -0.006 -17.900 1.00 0.00 H new ATOM 0 HB1 ALA A 45 27.238 -2.173 -16.963 1.00 0.00 H new ATOM 0 HB2 ALA A 45 26.956 -2.277 -18.717 1.00 0.00 H new ATOM 0 HB3 ALA A 45 28.618 -2.205 -18.086 1.00 0.00 H new ATOM 628 N GLN A 46 29.692 0.475 -17.199 1.00 0.00 N ATOM 629 CA GLN A 46 30.605 1.114 -16.256 1.00 0.00 C ATOM 630 C GLN A 46 30.173 2.548 -15.978 1.00 0.00 C ATOM 631 O GLN A 46 30.287 3.035 -14.857 1.00 0.00 O ATOM 632 CB GLN A 46 32.040 1.110 -16.798 1.00 0.00 C ATOM 633 CG GLN A 46 32.585 -0.276 -17.104 1.00 0.00 C ATOM 634 CD GLN A 46 32.653 -1.159 -15.877 1.00 0.00 C ATOM 635 OE1 GLN A 46 33.655 -1.170 -15.164 1.00 0.00 O ATOM 636 NE2 GLN A 46 31.598 -1.921 -15.634 1.00 0.00 N ATOM 0 H GLN A 46 30.125 0.198 -18.080 1.00 0.00 H new ATOM 0 HA GLN A 46 30.575 0.544 -15.327 1.00 0.00 H new ATOM 0 HB2 GLN A 46 32.075 1.711 -17.707 1.00 0.00 H new ATOM 0 HB3 GLN A 46 32.693 1.593 -16.071 1.00 0.00 H new ATOM 0 HG2 GLN A 46 31.955 -0.752 -17.855 1.00 0.00 H new ATOM 0 HG3 GLN A 46 33.581 -0.183 -17.536 1.00 0.00 H new ATOM 0 HE21 GLN A 46 30.787 -1.881 -16.251 1.00 0.00 H new ATOM 0 HE22 GLN A 46 31.596 -2.548 -14.830 1.00 0.00 H new ATOM 645 N SER A 47 29.642 3.212 -16.999 1.00 0.00 N ATOM 646 CA SER A 47 29.214 4.596 -16.858 1.00 0.00 C ATOM 647 C SER A 47 27.979 4.684 -15.965 1.00 0.00 C ATOM 648 O SER A 47 27.678 5.736 -15.403 1.00 0.00 O ATOM 649 CB SER A 47 28.920 5.193 -18.233 1.00 0.00 C ATOM 650 OG SER A 47 30.021 5.008 -19.109 1.00 0.00 O ATOM 0 H SER A 47 29.499 2.816 -17.928 1.00 0.00 H new ATOM 0 HA SER A 47 30.017 5.166 -16.390 1.00 0.00 H new ATOM 0 HB2 SER A 47 28.031 4.725 -18.655 1.00 0.00 H new ATOM 0 HB3 SER A 47 28.703 6.257 -18.134 1.00 0.00 H new ATOM 0 HG SER A 47 29.811 5.396 -19.984 1.00 0.00 H new ATOM 656 N MET A 48 27.282 3.564 -15.829 1.00 0.00 N ATOM 657 CA MET A 48 26.096 3.489 -15.000 1.00 0.00 C ATOM 658 C MET A 48 26.465 3.138 -13.562 1.00 0.00 C ATOM 659 O MET A 48 26.169 3.888 -12.634 1.00 0.00 O ATOM 660 CB MET A 48 25.138 2.437 -15.567 1.00 0.00 C ATOM 661 CG MET A 48 23.929 2.172 -14.688 1.00 0.00 C ATOM 662 SD MET A 48 22.785 3.564 -14.619 1.00 0.00 S ATOM 663 CE MET A 48 22.143 3.565 -16.293 1.00 0.00 C ATOM 0 H MET A 48 27.525 2.687 -16.290 1.00 0.00 H new ATOM 0 HA MET A 48 25.606 4.463 -15.000 1.00 0.00 H new ATOM 0 HB2 MET A 48 24.797 2.762 -16.550 1.00 0.00 H new ATOM 0 HB3 MET A 48 25.682 1.504 -15.711 1.00 0.00 H new ATOM 0 HG2 MET A 48 23.401 1.294 -15.061 1.00 0.00 H new ATOM 0 HG3 MET A 48 24.266 1.936 -13.679 1.00 0.00 H new ATOM 0 HE1 MET A 48 22.491 4.456 -16.815 1.00 0.00 H new ATOM 0 HE2 MET A 48 22.494 2.677 -16.818 1.00 0.00 H new ATOM 0 HE3 MET A 48 21.053 3.563 -16.265 1.00 0.00 H new ATOM 673 N VAL A 49 27.147 2.008 -13.386 1.00 0.00 N ATOM 674 CA VAL A 49 27.431 1.488 -12.052 1.00 0.00 C ATOM 675 C VAL A 49 28.378 2.402 -11.283 1.00 0.00 C ATOM 676 O VAL A 49 28.085 2.804 -10.157 1.00 0.00 O ATOM 677 CB VAL A 49 28.041 0.076 -12.108 1.00 0.00 C ATOM 678 CG1 VAL A 49 28.253 -0.468 -10.705 1.00 0.00 C ATOM 679 CG2 VAL A 49 27.158 -0.856 -12.916 1.00 0.00 C ATOM 0 H VAL A 49 27.512 1.437 -14.148 1.00 0.00 H new ATOM 0 HA VAL A 49 26.473 1.443 -11.533 1.00 0.00 H new ATOM 0 HB VAL A 49 29.011 0.140 -12.602 1.00 0.00 H new ATOM 0 HG11 VAL A 49 28.685 -1.467 -10.764 1.00 0.00 H new ATOM 0 HG12 VAL A 49 28.930 0.189 -10.159 1.00 0.00 H new ATOM 0 HG13 VAL A 49 27.296 -0.516 -10.185 1.00 0.00 H new ATOM 0 HG21 VAL A 49 27.606 -1.849 -12.944 1.00 0.00 H new ATOM 0 HG22 VAL A 49 26.173 -0.916 -12.454 1.00 0.00 H new ATOM 0 HG23 VAL A 49 27.059 -0.474 -13.932 1.00 0.00 H new ATOM 689 N GLN A 50 29.515 2.723 -11.894 1.00 0.00 N ATOM 690 CA GLN A 50 30.523 3.568 -11.270 1.00 0.00 C ATOM 691 C GLN A 50 29.965 4.950 -10.920 1.00 0.00 C ATOM 692 O GLN A 50 30.518 5.654 -10.076 1.00 0.00 O ATOM 693 CB GLN A 50 31.720 3.700 -12.207 1.00 0.00 C ATOM 694 CG GLN A 50 32.557 2.428 -12.372 1.00 0.00 C ATOM 695 CD GLN A 50 31.786 1.120 -12.258 1.00 0.00 C ATOM 696 OE1 GLN A 50 31.231 0.632 -13.238 1.00 0.00 O ATOM 697 NE2 GLN A 50 31.773 0.532 -11.069 1.00 0.00 N ATOM 0 H GLN A 50 29.761 2.405 -12.832 1.00 0.00 H new ATOM 0 HA GLN A 50 30.835 3.099 -10.337 1.00 0.00 H new ATOM 0 HB2 GLN A 50 31.361 4.011 -13.188 1.00 0.00 H new ATOM 0 HB3 GLN A 50 32.366 4.496 -11.837 1.00 0.00 H new ATOM 0 HG2 GLN A 50 33.045 2.459 -13.346 1.00 0.00 H new ATOM 0 HG3 GLN A 50 33.346 2.432 -11.620 1.00 0.00 H new ATOM 0 HE21 GLN A 50 32.246 0.970 -10.278 1.00 0.00 H new ATOM 0 HE22 GLN A 50 31.290 -0.358 -10.945 1.00 0.00 H new ATOM 706 N SER A 51 28.868 5.333 -11.563 1.00 0.00 N ATOM 707 CA SER A 51 28.202 6.590 -11.254 1.00 0.00 C ATOM 708 C SER A 51 27.437 6.449 -9.942 1.00 0.00 C ATOM 709 O SER A 51 27.520 7.306 -9.058 1.00 0.00 O ATOM 710 CB SER A 51 27.250 6.984 -12.389 1.00 0.00 C ATOM 711 OG SER A 51 26.730 8.290 -12.202 1.00 0.00 O ATOM 0 H SER A 51 28.422 4.790 -12.302 1.00 0.00 H new ATOM 0 HA SER A 51 28.950 7.376 -11.150 1.00 0.00 H new ATOM 0 HB2 SER A 51 27.778 6.934 -13.341 1.00 0.00 H new ATOM 0 HB3 SER A 51 26.429 6.269 -12.442 1.00 0.00 H new ATOM 0 HG SER A 51 26.128 8.512 -12.943 1.00 0.00 H new ATOM 717 N ILE A 52 26.720 5.338 -9.814 1.00 0.00 N ATOM 718 CA ILE A 52 25.939 5.048 -8.618 1.00 0.00 C ATOM 719 C ILE A 52 26.860 4.860 -7.413 1.00 0.00 C ATOM 720 O ILE A 52 26.485 5.158 -6.278 1.00 0.00 O ATOM 721 CB ILE A 52 25.073 3.788 -8.825 1.00 0.00 C ATOM 722 CG1 ILE A 52 24.180 3.976 -10.054 1.00 0.00 C ATOM 723 CG2 ILE A 52 24.226 3.503 -7.591 1.00 0.00 C ATOM 724 CD1 ILE A 52 23.400 2.740 -10.438 1.00 0.00 C ATOM 0 H ILE A 52 26.664 4.616 -10.533 1.00 0.00 H new ATOM 0 HA ILE A 52 25.279 5.895 -8.428 1.00 0.00 H new ATOM 0 HB ILE A 52 25.730 2.933 -8.985 1.00 0.00 H new ATOM 0 HG12 ILE A 52 23.481 4.790 -9.862 1.00 0.00 H new ATOM 0 HG13 ILE A 52 24.799 4.280 -10.898 1.00 0.00 H new ATOM 0 HG21 ILE A 52 23.624 2.610 -7.761 1.00 0.00 H new ATOM 0 HG22 ILE A 52 24.877 3.343 -6.732 1.00 0.00 H new ATOM 0 HG23 ILE A 52 23.570 4.351 -7.396 1.00 0.00 H new ATOM 0 HD11 ILE A 52 22.791 2.952 -11.317 1.00 0.00 H new ATOM 0 HD12 ILE A 52 24.092 1.928 -10.663 1.00 0.00 H new ATOM 0 HD13 ILE A 52 22.753 2.446 -9.611 1.00 0.00 H new ATOM 736 N GLN A 53 28.080 4.392 -7.683 1.00 0.00 N ATOM 737 CA GLN A 53 29.098 4.216 -6.648 1.00 0.00 C ATOM 738 C GLN A 53 29.299 5.501 -5.847 1.00 0.00 C ATOM 739 O GLN A 53 29.483 5.460 -4.632 1.00 0.00 O ATOM 740 CB GLN A 53 30.432 3.793 -7.273 1.00 0.00 C ATOM 741 CG GLN A 53 30.402 2.424 -7.935 1.00 0.00 C ATOM 742 CD GLN A 53 30.162 1.294 -6.952 1.00 0.00 C ATOM 743 OE1 GLN A 53 30.523 1.386 -5.781 1.00 0.00 O ATOM 744 NE2 GLN A 53 29.564 0.213 -7.426 1.00 0.00 N ATOM 0 H GLN A 53 28.388 4.126 -8.618 1.00 0.00 H new ATOM 0 HA GLN A 53 28.749 3.434 -5.974 1.00 0.00 H new ATOM 0 HB2 GLN A 53 30.726 4.537 -8.014 1.00 0.00 H new ATOM 0 HB3 GLN A 53 31.200 3.794 -6.499 1.00 0.00 H new ATOM 0 HG2 GLN A 53 29.619 2.411 -8.693 1.00 0.00 H new ATOM 0 HG3 GLN A 53 31.348 2.255 -8.450 1.00 0.00 H new ATOM 0 HE21 GLN A 53 29.279 0.175 -8.405 1.00 0.00 H new ATOM 0 HE22 GLN A 53 29.388 -0.583 -6.813 1.00 0.00 H new ATOM 753 N SER A 54 29.257 6.637 -6.528 1.00 0.00 N ATOM 754 CA SER A 54 29.412 7.921 -5.865 1.00 0.00 C ATOM 755 C SER A 54 28.058 8.561 -5.570 1.00 0.00 C ATOM 756 O SER A 54 27.895 9.249 -4.562 1.00 0.00 O ATOM 757 CB SER A 54 30.271 8.858 -6.713 1.00 0.00 C ATOM 758 OG SER A 54 31.609 8.392 -6.781 1.00 0.00 O ATOM 0 H SER A 54 29.117 6.695 -7.537 1.00 0.00 H new ATOM 0 HA SER A 54 29.914 7.748 -4.913 1.00 0.00 H new ATOM 0 HB2 SER A 54 29.855 8.930 -7.718 1.00 0.00 H new ATOM 0 HB3 SER A 54 30.252 9.861 -6.287 1.00 0.00 H new ATOM 0 HG SER A 54 32.141 9.005 -7.330 1.00 0.00 H new ATOM 764 N LEU A 55 27.085 8.321 -6.440 1.00 0.00 N ATOM 765 CA LEU A 55 25.748 8.882 -6.278 1.00 0.00 C ATOM 766 C LEU A 55 25.139 8.459 -4.939 1.00 0.00 C ATOM 767 O LEU A 55 24.653 9.295 -4.171 1.00 0.00 O ATOM 768 CB LEU A 55 24.854 8.427 -7.433 1.00 0.00 C ATOM 769 CG LEU A 55 23.516 9.159 -7.564 1.00 0.00 C ATOM 770 CD1 LEU A 55 23.736 10.636 -7.857 1.00 0.00 C ATOM 771 CD2 LEU A 55 22.671 8.523 -8.656 1.00 0.00 C ATOM 0 H LEU A 55 27.197 7.738 -7.270 1.00 0.00 H new ATOM 0 HA LEU A 55 25.823 9.969 -6.288 1.00 0.00 H new ATOM 0 HB2 LEU A 55 25.406 8.548 -8.365 1.00 0.00 H new ATOM 0 HB3 LEU A 55 24.655 7.362 -7.316 1.00 0.00 H new ATOM 0 HG LEU A 55 22.984 9.074 -6.616 1.00 0.00 H new ATOM 0 HD11 LEU A 55 22.772 11.137 -7.946 1.00 0.00 H new ATOM 0 HD12 LEU A 55 24.306 11.087 -7.045 1.00 0.00 H new ATOM 0 HD13 LEU A 55 24.288 10.743 -8.791 1.00 0.00 H new ATOM 0 HD21 LEU A 55 21.723 9.054 -8.738 1.00 0.00 H new ATOM 0 HD22 LEU A 55 23.202 8.580 -9.606 1.00 0.00 H new ATOM 0 HD23 LEU A 55 22.482 7.479 -8.408 1.00 0.00 H new ATOM 783 N ALA A 56 25.215 7.166 -4.651 1.00 0.00 N ATOM 784 CA ALA A 56 24.634 6.608 -3.435 1.00 0.00 C ATOM 785 C ALA A 56 25.549 6.804 -2.232 1.00 0.00 C ATOM 786 O ALA A 56 25.165 6.521 -1.097 1.00 0.00 O ATOM 787 CB ALA A 56 24.339 5.131 -3.632 1.00 0.00 C ATOM 0 H ALA A 56 25.677 6.479 -5.247 1.00 0.00 H new ATOM 0 HA ALA A 56 23.705 7.141 -3.234 1.00 0.00 H new ATOM 0 HB1 ALA A 56 23.905 4.722 -2.720 1.00 0.00 H new ATOM 0 HB2 ALA A 56 23.636 5.007 -4.455 1.00 0.00 H new ATOM 0 HB3 ALA A 56 25.264 4.603 -3.863 1.00 0.00 H new ATOM 793 N ALA A 57 26.753 7.301 -2.472 1.00 0.00 N ATOM 794 CA ALA A 57 27.709 7.501 -1.403 1.00 0.00 C ATOM 795 C ALA A 57 27.615 8.928 -0.912 1.00 0.00 C ATOM 796 O ALA A 57 27.796 9.212 0.272 1.00 0.00 O ATOM 797 CB ALA A 57 29.121 7.188 -1.873 1.00 0.00 C ATOM 0 H ALA A 57 27.087 7.572 -3.397 1.00 0.00 H new ATOM 0 HA ALA A 57 27.475 6.821 -0.584 1.00 0.00 H new ATOM 0 HB1 ALA A 57 29.821 7.346 -1.052 1.00 0.00 H new ATOM 0 HB2 ALA A 57 29.174 6.150 -2.200 1.00 0.00 H new ATOM 0 HB3 ALA A 57 29.382 7.844 -2.704 1.00 0.00 H new ATOM 803 N GLN A 58 27.310 9.825 -1.836 1.00 0.00 N ATOM 804 CA GLN A 58 27.180 11.230 -1.516 1.00 0.00 C ATOM 805 C GLN A 58 25.750 11.564 -1.111 1.00 0.00 C ATOM 806 O GLN A 58 25.459 12.682 -0.690 1.00 0.00 O ATOM 807 CB GLN A 58 27.607 12.090 -2.706 1.00 0.00 C ATOM 808 CG GLN A 58 29.066 11.911 -3.088 1.00 0.00 C ATOM 809 CD GLN A 58 29.474 12.750 -4.285 1.00 0.00 C ATOM 810 OE1 GLN A 58 28.548 12.980 -5.206 1.00 0.00 O flip ATOM 811 NE2 GLN A 58 30.622 13.175 -4.393 1.00 0.00 N flip ATOM 0 H GLN A 58 27.148 9.599 -2.817 1.00 0.00 H new ATOM 0 HA GLN A 58 27.835 11.448 -0.672 1.00 0.00 H new ATOM 0 HB2 GLN A 58 26.982 11.845 -3.565 1.00 0.00 H new ATOM 0 HB3 GLN A 58 27.427 13.139 -2.470 1.00 0.00 H new ATOM 0 HG2 GLN A 58 29.693 12.174 -2.236 1.00 0.00 H new ATOM 0 HG3 GLN A 58 29.252 10.860 -3.308 1.00 0.00 H new ATOM 0 HE21 GLN A 58 31.309 12.979 -3.665 1.00 0.00 H new ATOM 0 HE22 GLN A 58 30.888 13.724 -5.211 1.00 0.00 H new ATOM 820 N GLY A 59 24.862 10.583 -1.250 1.00 0.00 N ATOM 821 CA GLY A 59 23.470 10.777 -0.889 1.00 0.00 C ATOM 822 C GLY A 59 22.774 11.759 -1.804 1.00 0.00 C ATOM 823 O GLY A 59 22.131 12.704 -1.344 1.00 0.00 O ATOM 0 H GLY A 59 25.084 9.654 -1.608 1.00 0.00 H new ATOM 0 HA2 GLY A 59 22.951 9.819 -0.924 1.00 0.00 H new ATOM 0 HA3 GLY A 59 23.409 11.135 0.139 1.00 0.00 H new ATOM 827 N ARG A 60 22.916 11.550 -3.103 1.00 0.00 N ATOM 828 CA ARG A 60 22.314 12.437 -4.085 1.00 0.00 C ATOM 829 C ARG A 60 21.438 11.643 -5.045 1.00 0.00 C ATOM 830 O ARG A 60 21.109 12.105 -6.139 1.00 0.00 O ATOM 831 CB ARG A 60 23.394 13.188 -4.859 1.00 0.00 C ATOM 832 CG ARG A 60 24.302 14.020 -3.974 1.00 0.00 C ATOM 833 CD ARG A 60 25.094 15.017 -4.789 1.00 0.00 C ATOM 834 NE ARG A 60 26.019 15.787 -3.961 1.00 0.00 N ATOM 835 CZ ARG A 60 26.159 17.112 -4.027 1.00 0.00 C ATOM 836 NH1 ARG A 60 25.412 17.825 -4.857 1.00 0.00 N ATOM 837 NH2 ARG A 60 27.049 17.722 -3.254 1.00 0.00 N ATOM 0 H ARG A 60 23.443 10.773 -3.502 1.00 0.00 H new ATOM 0 HA ARG A 60 21.693 13.163 -3.560 1.00 0.00 H new ATOM 0 HB2 ARG A 60 23.998 12.470 -5.414 1.00 0.00 H new ATOM 0 HB3 ARG A 60 22.918 13.839 -5.593 1.00 0.00 H new ATOM 0 HG2 ARG A 60 23.705 14.547 -3.229 1.00 0.00 H new ATOM 0 HG3 ARG A 60 24.984 13.366 -3.431 1.00 0.00 H new ATOM 0 HD2 ARG A 60 25.652 14.491 -5.563 1.00 0.00 H new ATOM 0 HD3 ARG A 60 24.409 15.697 -5.296 1.00 0.00 H new ATOM 0 HE ARG A 60 26.595 15.279 -3.289 1.00 0.00 H new ATOM 0 HH11 ARG A 60 24.724 17.361 -5.451 1.00 0.00 H new ATOM 0 HH12 ARG A 60 25.524 18.838 -4.902 1.00 0.00 H new ATOM 0 HH21 ARG A 60 27.624 17.178 -2.611 1.00 0.00 H new ATOM 0 HH22 ARG A 60 27.158 18.735 -3.303 1.00 0.00 H new ATOM 851 N THR A 61 21.063 10.448 -4.622 1.00 0.00 N ATOM 852 CA THR A 61 20.258 9.565 -5.440 1.00 0.00 C ATOM 853 C THR A 61 18.772 9.866 -5.254 1.00 0.00 C ATOM 854 O THR A 61 18.157 9.446 -4.274 1.00 0.00 O ATOM 855 CB THR A 61 20.529 8.089 -5.088 1.00 0.00 C ATOM 856 OG1 THR A 61 21.915 7.910 -4.770 1.00 0.00 O ATOM 857 CG2 THR A 61 20.161 7.185 -6.253 1.00 0.00 C ATOM 0 H THR A 61 21.307 10.067 -3.708 1.00 0.00 H new ATOM 0 HA THR A 61 20.532 9.736 -6.481 1.00 0.00 H new ATOM 0 HB THR A 61 19.917 7.824 -4.226 1.00 0.00 H new ATOM 0 HG1 THR A 61 22.114 6.953 -4.702 1.00 0.00 H new ATOM 0 HG21 THR A 61 20.359 6.147 -5.985 1.00 0.00 H new ATOM 0 HG22 THR A 61 19.103 7.304 -6.486 1.00 0.00 H new ATOM 0 HG23 THR A 61 20.757 7.455 -7.125 1.00 0.00 H new ATOM 865 N SER A 62 18.211 10.629 -6.177 1.00 0.00 N ATOM 866 CA SER A 62 16.793 10.940 -6.150 1.00 0.00 C ATOM 867 C SER A 62 16.049 10.054 -7.148 1.00 0.00 C ATOM 868 O SER A 62 16.605 9.708 -8.191 1.00 0.00 O ATOM 869 CB SER A 62 16.580 12.415 -6.496 1.00 0.00 C ATOM 870 OG SER A 62 17.362 13.252 -5.661 1.00 0.00 O ATOM 0 H SER A 62 18.719 11.046 -6.957 1.00 0.00 H new ATOM 0 HA SER A 62 16.403 10.751 -5.150 1.00 0.00 H new ATOM 0 HB2 SER A 62 16.843 12.589 -7.539 1.00 0.00 H new ATOM 0 HB3 SER A 62 15.526 12.669 -6.386 1.00 0.00 H new ATOM 0 HG SER A 62 17.210 14.189 -5.903 1.00 0.00 H new ATOM 876 N PRO A 63 14.792 9.670 -6.843 1.00 0.00 N ATOM 877 CA PRO A 63 13.969 8.832 -7.733 1.00 0.00 C ATOM 878 C PRO A 63 13.890 9.392 -9.151 1.00 0.00 C ATOM 879 O PRO A 63 13.799 8.641 -10.127 1.00 0.00 O ATOM 880 CB PRO A 63 12.589 8.856 -7.071 1.00 0.00 C ATOM 881 CG PRO A 63 12.867 9.118 -5.633 1.00 0.00 C ATOM 882 CD PRO A 63 14.075 10.014 -5.600 1.00 0.00 C ATOM 0 HA PRO A 63 14.385 7.831 -7.846 1.00 0.00 H new ATOM 0 HB2 PRO A 63 11.957 9.633 -7.501 1.00 0.00 H new ATOM 0 HB3 PRO A 63 12.067 7.909 -7.208 1.00 0.00 H new ATOM 0 HG2 PRO A 63 12.014 9.596 -5.152 1.00 0.00 H new ATOM 0 HG3 PRO A 63 13.056 8.188 -5.097 1.00 0.00 H new ATOM 0 HD2 PRO A 63 13.794 11.067 -5.577 1.00 0.00 H new ATOM 0 HD3 PRO A 63 14.688 9.829 -4.718 1.00 0.00 H new ATOM 890 N ASN A 64 13.946 10.715 -9.253 1.00 0.00 N ATOM 891 CA ASN A 64 13.929 11.399 -10.542 1.00 0.00 C ATOM 892 C ASN A 64 15.123 10.981 -11.397 1.00 0.00 C ATOM 893 O ASN A 64 15.013 10.847 -12.615 1.00 0.00 O ATOM 894 CB ASN A 64 13.954 12.915 -10.330 1.00 0.00 C ATOM 895 CG ASN A 64 13.919 13.691 -11.634 1.00 0.00 C ATOM 896 OD1 ASN A 64 14.961 13.993 -12.221 1.00 0.00 O ATOM 897 ND2 ASN A 64 12.721 14.023 -12.091 1.00 0.00 N ATOM 0 H ASN A 64 14.004 11.341 -8.450 1.00 0.00 H new ATOM 0 HA ASN A 64 13.014 11.119 -11.064 1.00 0.00 H new ATOM 0 HB2 ASN A 64 13.101 13.206 -9.716 1.00 0.00 H new ATOM 0 HB3 ASN A 64 14.853 13.185 -9.776 1.00 0.00 H new ATOM 0 HD21 ASN A 64 12.635 14.549 -12.961 1.00 0.00 H new ATOM 0 HD22 ASN A 64 11.885 13.753 -11.573 1.00 0.00 H new ATOM 904 N LYS A 65 16.255 10.747 -10.744 1.00 0.00 N ATOM 905 CA LYS A 65 17.491 10.425 -11.445 1.00 0.00 C ATOM 906 C LYS A 65 17.430 9.032 -12.045 1.00 0.00 C ATOM 907 O LYS A 65 17.865 8.818 -13.172 1.00 0.00 O ATOM 908 CB LYS A 65 18.685 10.543 -10.504 1.00 0.00 C ATOM 909 CG LYS A 65 18.799 11.918 -9.880 1.00 0.00 C ATOM 910 CD LYS A 65 20.234 12.248 -9.538 1.00 0.00 C ATOM 911 CE LYS A 65 20.351 13.639 -8.939 1.00 0.00 C ATOM 912 NZ LYS A 65 21.766 14.057 -8.752 1.00 0.00 N ATOM 0 H LYS A 65 16.342 10.774 -9.728 1.00 0.00 H new ATOM 0 HA LYS A 65 17.613 11.141 -12.258 1.00 0.00 H new ATOM 0 HB2 LYS A 65 18.597 9.796 -9.715 1.00 0.00 H new ATOM 0 HB3 LYS A 65 19.600 10.320 -11.053 1.00 0.00 H new ATOM 0 HG2 LYS A 65 18.406 12.666 -10.568 1.00 0.00 H new ATOM 0 HG3 LYS A 65 18.188 11.962 -8.978 1.00 0.00 H new ATOM 0 HD2 LYS A 65 20.621 11.512 -8.833 1.00 0.00 H new ATOM 0 HD3 LYS A 65 20.849 12.183 -10.436 1.00 0.00 H new ATOM 0 HE2 LYS A 65 19.846 14.355 -9.588 1.00 0.00 H new ATOM 0 HE3 LYS A 65 19.838 13.662 -7.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 21.794 15.012 -8.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 22.243 13.390 -8.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 22.251 14.061 -9.672 1.00 0.00 H new ATOM 926 N LEU A 66 16.872 8.087 -11.298 1.00 0.00 N ATOM 927 CA LEU A 66 16.737 6.721 -11.787 1.00 0.00 C ATOM 928 C LEU A 66 15.741 6.674 -12.937 1.00 0.00 C ATOM 929 O LEU A 66 15.872 5.868 -13.859 1.00 0.00 O ATOM 930 CB LEU A 66 16.295 5.766 -10.670 1.00 0.00 C ATOM 931 CG LEU A 66 17.242 5.644 -9.466 1.00 0.00 C ATOM 932 CD1 LEU A 66 18.684 5.937 -9.859 1.00 0.00 C ATOM 933 CD2 LEU A 66 16.798 6.553 -8.336 1.00 0.00 C ATOM 0 H LEU A 66 16.508 8.240 -10.358 1.00 0.00 H new ATOM 0 HA LEU A 66 17.715 6.394 -12.141 1.00 0.00 H new ATOM 0 HB2 LEU A 66 15.320 6.091 -10.307 1.00 0.00 H new ATOM 0 HB3 LEU A 66 16.160 4.774 -11.101 1.00 0.00 H new ATOM 0 HG LEU A 66 17.197 4.613 -9.115 1.00 0.00 H new ATOM 0 HD11 LEU A 66 19.326 5.842 -8.984 1.00 0.00 H new ATOM 0 HD12 LEU A 66 19.004 5.228 -10.623 1.00 0.00 H new ATOM 0 HD13 LEU A 66 18.755 6.951 -10.252 1.00 0.00 H new ATOM 0 HD21 LEU A 66 17.484 6.449 -7.495 1.00 0.00 H new ATOM 0 HD22 LEU A 66 16.799 7.587 -8.679 1.00 0.00 H new ATOM 0 HD23 LEU A 66 15.792 6.276 -8.020 1.00 0.00 H new ATOM 945 N GLN A 67 14.746 7.550 -12.871 1.00 0.00 N ATOM 946 CA GLN A 67 13.776 7.700 -13.945 1.00 0.00 C ATOM 947 C GLN A 67 14.473 8.232 -15.195 1.00 0.00 C ATOM 948 O GLN A 67 14.256 7.740 -16.299 1.00 0.00 O ATOM 949 CB GLN A 67 12.649 8.642 -13.491 1.00 0.00 C ATOM 950 CG GLN A 67 11.422 8.675 -14.399 1.00 0.00 C ATOM 951 CD GLN A 67 11.508 9.724 -15.496 1.00 0.00 C ATOM 952 OE1 GLN A 67 11.141 10.881 -15.289 1.00 0.00 O ATOM 953 NE2 GLN A 67 11.954 9.327 -16.675 1.00 0.00 N ATOM 0 H GLN A 67 14.590 8.171 -12.077 1.00 0.00 H new ATOM 0 HA GLN A 67 13.336 6.733 -14.187 1.00 0.00 H new ATOM 0 HB2 GLN A 67 12.332 8.348 -12.490 1.00 0.00 H new ATOM 0 HB3 GLN A 67 13.051 9.652 -13.414 1.00 0.00 H new ATOM 0 HG2 GLN A 67 11.291 7.694 -14.855 1.00 0.00 H new ATOM 0 HG3 GLN A 67 10.536 8.866 -13.793 1.00 0.00 H new ATOM 0 HE21 GLN A 67 12.250 8.360 -16.809 1.00 0.00 H new ATOM 0 HE22 GLN A 67 12.003 9.988 -17.451 1.00 0.00 H new ATOM 962 N ALA A 68 15.328 9.229 -15.002 1.00 0.00 N ATOM 963 CA ALA A 68 16.082 9.827 -16.101 1.00 0.00 C ATOM 964 C ALA A 68 17.044 8.824 -16.740 1.00 0.00 C ATOM 965 O ALA A 68 17.277 8.857 -17.950 1.00 0.00 O ATOM 966 CB ALA A 68 16.845 11.046 -15.607 1.00 0.00 C ATOM 0 H ALA A 68 15.518 9.644 -14.090 1.00 0.00 H new ATOM 0 HA ALA A 68 15.369 10.133 -16.866 1.00 0.00 H new ATOM 0 HB1 ALA A 68 17.404 11.485 -16.433 1.00 0.00 H new ATOM 0 HB2 ALA A 68 16.142 11.780 -15.214 1.00 0.00 H new ATOM 0 HB3 ALA A 68 17.537 10.748 -14.819 1.00 0.00 H new ATOM 972 N LEU A 69 17.590 7.929 -15.924 1.00 0.00 N ATOM 973 CA LEU A 69 18.544 6.931 -16.402 1.00 0.00 C ATOM 974 C LEU A 69 17.885 5.943 -17.359 1.00 0.00 C ATOM 975 O LEU A 69 18.555 5.363 -18.212 1.00 0.00 O ATOM 976 CB LEU A 69 19.168 6.175 -15.227 1.00 0.00 C ATOM 977 CG LEU A 69 20.075 7.010 -14.317 1.00 0.00 C ATOM 978 CD1 LEU A 69 20.601 6.167 -13.166 1.00 0.00 C ATOM 979 CD2 LEU A 69 21.232 7.600 -15.108 1.00 0.00 C ATOM 0 H LEU A 69 17.389 7.873 -14.926 1.00 0.00 H new ATOM 0 HA LEU A 69 19.327 7.462 -16.943 1.00 0.00 H new ATOM 0 HB2 LEU A 69 18.366 5.751 -14.623 1.00 0.00 H new ATOM 0 HB3 LEU A 69 19.747 5.339 -15.621 1.00 0.00 H new ATOM 0 HG LEU A 69 19.483 7.828 -13.906 1.00 0.00 H new ATOM 0 HD11 LEU A 69 21.243 6.778 -12.531 1.00 0.00 H new ATOM 0 HD12 LEU A 69 19.764 5.790 -12.579 1.00 0.00 H new ATOM 0 HD13 LEU A 69 21.174 5.328 -13.561 1.00 0.00 H new ATOM 0 HD21 LEU A 69 21.864 8.189 -14.444 1.00 0.00 H new ATOM 0 HD22 LEU A 69 21.820 6.795 -15.548 1.00 0.00 H new ATOM 0 HD23 LEU A 69 20.843 8.240 -15.900 1.00 0.00 H new ATOM 991 N ASN A 70 16.573 5.778 -17.216 1.00 0.00 N ATOM 992 CA ASN A 70 15.792 4.854 -18.044 1.00 0.00 C ATOM 993 C ASN A 70 16.087 5.041 -19.533 1.00 0.00 C ATOM 994 O ASN A 70 16.427 4.086 -20.233 1.00 0.00 O ATOM 995 CB ASN A 70 14.296 5.081 -17.790 1.00 0.00 C ATOM 996 CG ASN A 70 13.395 4.207 -18.642 1.00 0.00 C ATOM 997 OD1 ASN A 70 12.899 3.128 -18.060 1.00 0.00 O flip ATOM 998 ND2 ASN A 70 13.110 4.524 -19.797 1.00 0.00 N flip ATOM 0 H ASN A 70 16.018 6.280 -16.523 1.00 0.00 H new ATOM 0 HA ASN A 70 16.074 3.837 -17.769 1.00 0.00 H new ATOM 0 HB2 ASN A 70 14.082 4.892 -16.738 1.00 0.00 H new ATOM 0 HB3 ASN A 70 14.059 6.128 -17.981 1.00 0.00 H new ATOM 0 HD21 ASN A 70 13.514 5.365 -20.210 1.00 0.00 H new ATOM 0 HD22 ASN A 70 12.470 3.946 -20.341 1.00 0.00 H new ATOM 1005 N MET A 71 15.977 6.281 -19.996 1.00 0.00 N ATOM 1006 CA MET A 71 16.101 6.587 -21.417 1.00 0.00 C ATOM 1007 C MET A 71 17.508 6.329 -21.941 1.00 0.00 C ATOM 1008 O MET A 71 17.699 5.526 -22.857 1.00 0.00 O ATOM 1009 CB MET A 71 15.715 8.043 -21.697 1.00 0.00 C ATOM 1010 CG MET A 71 14.228 8.329 -21.551 1.00 0.00 C ATOM 1011 SD MET A 71 13.678 8.421 -19.836 1.00 0.00 S ATOM 1012 CE MET A 71 14.383 9.992 -19.341 1.00 0.00 C ATOM 0 H MET A 71 15.801 7.094 -19.406 1.00 0.00 H new ATOM 0 HA MET A 71 15.416 5.920 -21.940 1.00 0.00 H new ATOM 0 HB2 MET A 71 16.268 8.692 -21.017 1.00 0.00 H new ATOM 0 HB3 MET A 71 16.027 8.302 -22.709 1.00 0.00 H new ATOM 0 HG2 MET A 71 13.997 9.270 -22.049 1.00 0.00 H new ATOM 0 HG3 MET A 71 13.664 7.550 -22.064 1.00 0.00 H new ATOM 0 HE1 MET A 71 13.909 10.329 -18.419 1.00 0.00 H new ATOM 0 HE2 MET A 71 15.454 9.874 -19.176 1.00 0.00 H new ATOM 0 HE3 MET A 71 14.215 10.729 -20.126 1.00 0.00 H new ATOM 1022 N ARG A 72 18.487 7.008 -21.360 1.00 0.00 N ATOM 1023 CA ARG A 72 19.855 6.943 -21.864 1.00 0.00 C ATOM 1024 C ARG A 72 20.450 5.548 -21.706 1.00 0.00 C ATOM 1025 O ARG A 72 21.324 5.155 -22.477 1.00 0.00 O ATOM 1026 CB ARG A 72 20.746 7.987 -21.186 1.00 0.00 C ATOM 1027 CG ARG A 72 21.390 8.951 -22.173 1.00 0.00 C ATOM 1028 CD ARG A 72 22.277 8.217 -23.171 1.00 0.00 C ATOM 1029 NE ARG A 72 22.672 9.063 -24.299 1.00 0.00 N ATOM 1030 CZ ARG A 72 23.134 8.586 -25.462 1.00 0.00 C ATOM 1031 NH1 ARG A 72 23.275 7.278 -25.641 1.00 0.00 N ATOM 1032 NH2 ARG A 72 23.452 9.420 -26.446 1.00 0.00 N ATOM 0 H ARG A 72 18.363 7.607 -20.544 1.00 0.00 H new ATOM 0 HA ARG A 72 19.813 7.168 -22.930 1.00 0.00 H new ATOM 0 HB2 ARG A 72 20.152 8.553 -20.469 1.00 0.00 H new ATOM 0 HB3 ARG A 72 21.527 7.478 -20.621 1.00 0.00 H new ATOM 0 HG2 ARG A 72 20.614 9.498 -22.708 1.00 0.00 H new ATOM 0 HG3 ARG A 72 21.983 9.687 -21.630 1.00 0.00 H new ATOM 0 HD2 ARG A 72 23.170 7.856 -22.661 1.00 0.00 H new ATOM 0 HD3 ARG A 72 21.748 7.341 -23.546 1.00 0.00 H new ATOM 0 HE ARG A 72 22.591 10.074 -24.193 1.00 0.00 H new ATOM 0 HH11 ARG A 72 23.031 6.631 -24.891 1.00 0.00 H new ATOM 0 HH12 ARG A 72 23.627 6.920 -26.529 1.00 0.00 H new ATOM 0 HH21 ARG A 72 23.344 10.426 -26.317 1.00 0.00 H new ATOM 0 HH22 ARG A 72 23.804 9.054 -27.331 1.00 0.00 H new ATOM 1046 N PHE A 73 19.981 4.800 -20.716 1.00 0.00 N ATOM 1047 CA PHE A 73 20.416 3.419 -20.542 1.00 0.00 C ATOM 1048 C PHE A 73 20.039 2.593 -21.769 1.00 0.00 C ATOM 1049 O PHE A 73 20.870 1.879 -22.333 1.00 0.00 O ATOM 1050 CB PHE A 73 19.794 2.823 -19.273 1.00 0.00 C ATOM 1051 CG PHE A 73 20.071 1.357 -19.076 1.00 0.00 C ATOM 1052 CD1 PHE A 73 21.371 0.879 -19.013 1.00 0.00 C ATOM 1053 CD2 PHE A 73 19.024 0.458 -18.954 1.00 0.00 C ATOM 1054 CE1 PHE A 73 21.620 -0.470 -18.833 1.00 0.00 C ATOM 1055 CE2 PHE A 73 19.265 -0.889 -18.773 1.00 0.00 C ATOM 1056 CZ PHE A 73 20.565 -1.355 -18.712 1.00 0.00 C ATOM 0 H PHE A 73 19.304 5.123 -20.025 1.00 0.00 H new ATOM 0 HA PHE A 73 21.500 3.399 -20.433 1.00 0.00 H new ATOM 0 HB2 PHE A 73 20.168 3.371 -18.408 1.00 0.00 H new ATOM 0 HB3 PHE A 73 18.715 2.976 -19.305 1.00 0.00 H new ATOM 0 HD1 PHE A 73 22.198 1.567 -19.105 1.00 0.00 H new ATOM 0 HD2 PHE A 73 18.006 0.816 -19.001 1.00 0.00 H new ATOM 0 HE1 PHE A 73 22.637 -0.831 -18.787 1.00 0.00 H new ATOM 0 HE2 PHE A 73 18.439 -1.578 -18.679 1.00 0.00 H new ATOM 0 HZ PHE A 73 20.756 -2.408 -18.570 1.00 0.00 H new ATOM 1066 N ALA A 74 18.789 2.724 -22.192 1.00 0.00 N ATOM 1067 CA ALA A 74 18.285 2.003 -23.351 1.00 0.00 C ATOM 1068 C ALA A 74 18.981 2.447 -24.631 1.00 0.00 C ATOM 1069 O ALA A 74 19.443 1.617 -25.415 1.00 0.00 O ATOM 1070 CB ALA A 74 16.783 2.205 -23.473 1.00 0.00 C ATOM 0 H ALA A 74 18.100 3.329 -21.744 1.00 0.00 H new ATOM 0 HA ALA A 74 18.498 0.944 -23.208 1.00 0.00 H new ATOM 0 HB1 ALA A 74 16.412 1.663 -24.343 1.00 0.00 H new ATOM 0 HB2 ALA A 74 16.291 1.830 -22.575 1.00 0.00 H new ATOM 0 HB3 ALA A 74 16.567 3.267 -23.589 1.00 0.00 H new ATOM 1076 N SER A 75 19.076 3.756 -24.828 1.00 0.00 N ATOM 1077 CA SER A 75 19.603 4.298 -26.072 1.00 0.00 C ATOM 1078 C SER A 75 21.080 3.964 -26.259 1.00 0.00 C ATOM 1079 O SER A 75 21.509 3.649 -27.367 1.00 0.00 O ATOM 1080 CB SER A 75 19.386 5.811 -26.133 1.00 0.00 C ATOM 1081 OG SER A 75 20.018 6.475 -25.053 1.00 0.00 O ATOM 0 H SER A 75 18.796 4.459 -24.144 1.00 0.00 H new ATOM 0 HA SER A 75 19.055 3.828 -26.889 1.00 0.00 H new ATOM 0 HB2 SER A 75 19.775 6.197 -27.075 1.00 0.00 H new ATOM 0 HB3 SER A 75 18.318 6.026 -26.117 1.00 0.00 H new ATOM 0 HG SER A 75 19.860 7.440 -25.124 1.00 0.00 H new ATOM 1087 N SER A 76 21.852 4.008 -25.181 1.00 0.00 N ATOM 1088 CA SER A 76 23.283 3.741 -25.266 1.00 0.00 C ATOM 1089 C SER A 76 23.544 2.307 -25.726 1.00 0.00 C ATOM 1090 O SER A 76 24.494 2.044 -26.461 1.00 0.00 O ATOM 1091 CB SER A 76 23.956 4.005 -23.922 1.00 0.00 C ATOM 1092 OG SER A 76 23.723 5.338 -23.495 1.00 0.00 O ATOM 0 H SER A 76 21.515 4.224 -24.243 1.00 0.00 H new ATOM 0 HA SER A 76 23.712 4.416 -26.006 1.00 0.00 H new ATOM 0 HB2 SER A 76 23.575 3.308 -23.176 1.00 0.00 H new ATOM 0 HB3 SER A 76 25.028 3.827 -24.006 1.00 0.00 H new ATOM 0 HG SER A 76 22.840 5.397 -23.074 1.00 0.00 H new ATOM 1098 N MET A 77 22.684 1.385 -25.307 1.00 0.00 N ATOM 1099 CA MET A 77 22.783 0.001 -25.757 1.00 0.00 C ATOM 1100 C MET A 77 22.288 -0.108 -27.193 1.00 0.00 C ATOM 1101 O MET A 77 22.822 -0.875 -27.993 1.00 0.00 O ATOM 1102 CB MET A 77 21.968 -0.927 -24.854 1.00 0.00 C ATOM 1103 CG MET A 77 22.464 -0.984 -23.418 1.00 0.00 C ATOM 1104 SD MET A 77 21.490 -2.100 -22.389 1.00 0.00 S ATOM 1105 CE MET A 77 19.871 -1.341 -22.490 1.00 0.00 C ATOM 0 H MET A 77 21.916 1.568 -24.661 1.00 0.00 H new ATOM 0 HA MET A 77 23.828 -0.305 -25.707 1.00 0.00 H new ATOM 0 HB2 MET A 77 20.929 -0.598 -24.856 1.00 0.00 H new ATOM 0 HB3 MET A 77 21.985 -1.933 -25.274 1.00 0.00 H new ATOM 0 HG2 MET A 77 23.506 -1.305 -23.410 1.00 0.00 H new ATOM 0 HG3 MET A 77 22.436 0.017 -22.988 1.00 0.00 H new ATOM 0 HE1 MET A 77 19.180 -1.868 -21.832 1.00 0.00 H new ATOM 0 HE2 MET A 77 19.939 -0.297 -22.184 1.00 0.00 H new ATOM 0 HE3 MET A 77 19.507 -1.395 -23.516 1.00 0.00 H new ATOM 1115 N ALA A 78 21.271 0.685 -27.507 1.00 0.00 N ATOM 1116 CA ALA A 78 20.682 0.706 -28.839 1.00 0.00 C ATOM 1117 C ALA A 78 21.693 1.138 -29.892 1.00 0.00 C ATOM 1118 O ALA A 78 21.731 0.579 -30.982 1.00 0.00 O ATOM 1119 CB ALA A 78 19.480 1.632 -28.861 1.00 0.00 C ATOM 0 H ALA A 78 20.833 1.329 -26.848 1.00 0.00 H new ATOM 0 HA ALA A 78 20.363 -0.308 -29.079 1.00 0.00 H new ATOM 0 HB1 ALA A 78 19.046 1.641 -29.861 1.00 0.00 H new ATOM 0 HB2 ALA A 78 18.736 1.280 -28.146 1.00 0.00 H new ATOM 0 HB3 ALA A 78 19.793 2.641 -28.592 1.00 0.00 H new ATOM 1125 N GLU A 79 22.512 2.129 -29.559 1.00 0.00 N ATOM 1126 CA GLU A 79 23.518 2.642 -30.487 1.00 0.00 C ATOM 1127 C GLU A 79 24.524 1.552 -30.852 1.00 0.00 C ATOM 1128 O GLU A 79 25.044 1.514 -31.967 1.00 0.00 O ATOM 1129 CB GLU A 79 24.232 3.848 -29.871 1.00 0.00 C ATOM 1130 CG GLU A 79 23.267 4.929 -29.416 1.00 0.00 C ATOM 1131 CD GLU A 79 23.954 6.208 -28.985 1.00 0.00 C ATOM 1132 OE1 GLU A 79 24.417 6.284 -27.828 1.00 0.00 O ATOM 1133 OE2 GLU A 79 24.018 7.149 -29.803 1.00 0.00 O ATOM 0 H GLU A 79 22.500 2.595 -28.652 1.00 0.00 H new ATOM 0 HA GLU A 79 23.018 2.959 -31.402 1.00 0.00 H new ATOM 0 HB2 GLU A 79 24.828 3.517 -29.021 1.00 0.00 H new ATOM 0 HB3 GLU A 79 24.924 4.268 -30.601 1.00 0.00 H new ATOM 0 HG2 GLU A 79 22.575 5.153 -30.228 1.00 0.00 H new ATOM 0 HG3 GLU A 79 22.672 4.548 -28.586 1.00 0.00 H new ATOM 1140 N ILE A 80 24.777 0.663 -29.904 1.00 0.00 N ATOM 1141 CA ILE A 80 25.666 -0.471 -30.128 1.00 0.00 C ATOM 1142 C ILE A 80 24.958 -1.551 -30.935 1.00 0.00 C ATOM 1143 O ILE A 80 25.508 -2.094 -31.890 1.00 0.00 O ATOM 1144 CB ILE A 80 26.148 -1.071 -28.792 1.00 0.00 C ATOM 1145 CG1 ILE A 80 26.924 -0.017 -27.999 1.00 0.00 C ATOM 1146 CG2 ILE A 80 26.996 -2.314 -29.031 1.00 0.00 C ATOM 1147 CD1 ILE A 80 27.270 -0.451 -26.595 1.00 0.00 C ATOM 0 H ILE A 80 24.378 0.704 -28.966 1.00 0.00 H new ATOM 0 HA ILE A 80 26.530 -0.107 -30.684 1.00 0.00 H new ATOM 0 HB ILE A 80 25.279 -1.374 -28.208 1.00 0.00 H new ATOM 0 HG12 ILE A 80 27.843 0.223 -28.533 1.00 0.00 H new ATOM 0 HG13 ILE A 80 26.334 0.898 -27.952 1.00 0.00 H new ATOM 0 HG21 ILE A 80 27.325 -2.720 -28.074 1.00 0.00 H new ATOM 0 HG22 ILE A 80 26.404 -3.062 -29.558 1.00 0.00 H new ATOM 0 HG23 ILE A 80 27.867 -2.051 -29.632 1.00 0.00 H new ATOM 0 HD11 ILE A 80 27.819 0.346 -26.093 1.00 0.00 H new ATOM 0 HD12 ILE A 80 26.354 -0.664 -26.044 1.00 0.00 H new ATOM 0 HD13 ILE A 80 27.887 -1.349 -26.633 1.00 0.00 H new ATOM 1159 N ALA A 81 23.725 -1.847 -30.546 1.00 0.00 N ATOM 1160 CA ALA A 81 22.925 -2.847 -31.234 1.00 0.00 C ATOM 1161 C ALA A 81 22.628 -2.416 -32.668 1.00 0.00 C ATOM 1162 O ALA A 81 22.463 -3.253 -33.556 1.00 0.00 O ATOM 1163 CB ALA A 81 21.633 -3.094 -30.474 1.00 0.00 C ATOM 0 H ALA A 81 23.257 -1.406 -29.754 1.00 0.00 H new ATOM 0 HA ALA A 81 23.494 -3.776 -31.273 1.00 0.00 H new ATOM 0 HB1 ALA A 81 21.041 -3.845 -30.997 1.00 0.00 H new ATOM 0 HB2 ALA A 81 21.864 -3.449 -29.470 1.00 0.00 H new ATOM 0 HB3 ALA A 81 21.066 -2.165 -30.409 1.00 0.00 H new ATOM 1169 N ALA A 82 22.566 -1.110 -32.881 1.00 0.00 N ATOM 1170 CA ALA A 82 22.327 -0.551 -34.202 1.00 0.00 C ATOM 1171 C ALA A 82 23.588 -0.622 -35.048 1.00 0.00 C ATOM 1172 O ALA A 82 23.544 -0.961 -36.230 1.00 0.00 O ATOM 1173 CB ALA A 82 21.856 0.886 -34.090 1.00 0.00 C ATOM 0 H ALA A 82 22.679 -0.411 -32.147 1.00 0.00 H new ATOM 0 HA ALA A 82 21.548 -1.140 -34.687 1.00 0.00 H new ATOM 0 HB1 ALA A 82 21.681 1.290 -35.087 1.00 0.00 H new ATOM 0 HB2 ALA A 82 20.930 0.922 -33.517 1.00 0.00 H new ATOM 0 HB3 ALA A 82 22.618 1.480 -33.586 1.00 0.00 H new ATOM 1241 N SER A 89 20.416 -9.917 -35.922 1.00 0.00 N ATOM 1242 CA SER A 89 19.083 -9.351 -36.040 1.00 0.00 C ATOM 1243 C SER A 89 18.755 -8.507 -34.815 1.00 0.00 C ATOM 1244 O SER A 89 18.958 -8.940 -33.675 1.00 0.00 O ATOM 1245 CB SER A 89 18.045 -10.467 -36.204 1.00 0.00 C ATOM 1246 OG SER A 89 16.732 -9.939 -36.311 1.00 0.00 O ATOM 0 HA SER A 89 19.055 -8.712 -36.923 1.00 0.00 H new ATOM 0 HB2 SER A 89 18.277 -11.054 -37.093 1.00 0.00 H new ATOM 0 HB3 SER A 89 18.098 -11.144 -35.352 1.00 0.00 H new ATOM 0 HG SER A 89 16.092 -10.673 -36.416 1.00 0.00 H new ATOM 1252 N LEU A 90 18.245 -7.304 -35.052 1.00 0.00 N ATOM 1253 CA LEU A 90 17.885 -6.395 -33.973 1.00 0.00 C ATOM 1254 C LEU A 90 16.738 -6.971 -33.145 1.00 0.00 C ATOM 1255 O LEU A 90 16.674 -6.767 -31.932 1.00 0.00 O ATOM 1256 CB LEU A 90 17.491 -5.025 -34.539 1.00 0.00 C ATOM 1257 CG LEU A 90 17.091 -3.980 -33.496 1.00 0.00 C ATOM 1258 CD1 LEU A 90 18.282 -3.604 -32.628 1.00 0.00 C ATOM 1259 CD2 LEU A 90 16.507 -2.751 -34.173 1.00 0.00 C ATOM 0 H LEU A 90 18.071 -6.935 -35.987 1.00 0.00 H new ATOM 0 HA LEU A 90 18.753 -6.272 -33.325 1.00 0.00 H new ATOM 0 HB2 LEU A 90 18.328 -4.635 -35.118 1.00 0.00 H new ATOM 0 HB3 LEU A 90 16.660 -5.161 -35.231 1.00 0.00 H new ATOM 0 HG LEU A 90 16.326 -4.412 -32.851 1.00 0.00 H new ATOM 0 HD11 LEU A 90 17.976 -2.860 -31.893 1.00 0.00 H new ATOM 0 HD12 LEU A 90 18.652 -4.491 -32.114 1.00 0.00 H new ATOM 0 HD13 LEU A 90 19.073 -3.191 -33.254 1.00 0.00 H new ATOM 0 HD21 LEU A 90 16.228 -2.017 -33.417 1.00 0.00 H new ATOM 0 HD22 LEU A 90 17.250 -2.317 -34.843 1.00 0.00 H new ATOM 0 HD23 LEU A 90 15.624 -3.036 -34.746 1.00 0.00 H new ATOM 1271 N SER A 91 15.854 -7.709 -33.806 1.00 0.00 N ATOM 1272 CA SER A 91 14.697 -8.307 -33.148 1.00 0.00 C ATOM 1273 C SER A 91 15.134 -9.315 -32.084 1.00 0.00 C ATOM 1274 O SER A 91 14.490 -9.464 -31.047 1.00 0.00 O ATOM 1275 CB SER A 91 13.813 -8.988 -34.191 1.00 0.00 C ATOM 1276 OG SER A 91 13.570 -8.127 -35.292 1.00 0.00 O ATOM 0 H SER A 91 15.917 -7.909 -34.804 1.00 0.00 H new ATOM 0 HA SER A 91 14.130 -7.519 -32.651 1.00 0.00 H new ATOM 0 HB2 SER A 91 14.294 -9.902 -34.539 1.00 0.00 H new ATOM 0 HB3 SER A 91 12.866 -9.279 -33.736 1.00 0.00 H new ATOM 0 HG SER A 91 13.003 -8.586 -35.947 1.00 0.00 H new ATOM 1282 N THR A 92 16.236 -10.004 -32.343 1.00 0.00 N ATOM 1283 CA THR A 92 16.768 -10.957 -31.390 1.00 0.00 C ATOM 1284 C THR A 92 17.579 -10.230 -30.321 1.00 0.00 C ATOM 1285 O THR A 92 17.548 -10.596 -29.147 1.00 0.00 O ATOM 1286 CB THR A 92 17.648 -12.005 -32.100 1.00 0.00 C ATOM 1287 OG1 THR A 92 16.940 -12.540 -33.228 1.00 0.00 O ATOM 1288 CG2 THR A 92 18.028 -13.138 -31.157 1.00 0.00 C ATOM 0 H THR A 92 16.776 -9.919 -33.204 1.00 0.00 H new ATOM 0 HA THR A 92 15.933 -11.473 -30.916 1.00 0.00 H new ATOM 0 HB THR A 92 18.563 -11.514 -32.430 1.00 0.00 H new ATOM 0 HG1 THR A 92 17.500 -13.205 -33.680 1.00 0.00 H new ATOM 0 HG21 THR A 92 18.648 -13.860 -31.688 1.00 0.00 H new ATOM 0 HG22 THR A 92 18.584 -12.736 -30.310 1.00 0.00 H new ATOM 0 HG23 THR A 92 17.125 -13.630 -30.797 1.00 0.00 H new ATOM 1296 N LYS A 93 18.277 -9.177 -30.738 1.00 0.00 N ATOM 1297 CA LYS A 93 19.094 -8.370 -29.835 1.00 0.00 C ATOM 1298 C LYS A 93 18.275 -7.796 -28.684 1.00 0.00 C ATOM 1299 O LYS A 93 18.633 -7.961 -27.517 1.00 0.00 O ATOM 1300 CB LYS A 93 19.751 -7.234 -30.610 1.00 0.00 C ATOM 1301 CG LYS A 93 20.991 -7.655 -31.372 1.00 0.00 C ATOM 1302 CD LYS A 93 21.462 -6.560 -32.309 1.00 0.00 C ATOM 1303 CE LYS A 93 22.967 -6.596 -32.490 1.00 0.00 C ATOM 1304 NZ LYS A 93 23.403 -5.770 -33.639 1.00 0.00 N ATOM 0 H LYS A 93 18.293 -8.860 -31.707 1.00 0.00 H new ATOM 0 HA LYS A 93 19.856 -9.022 -29.409 1.00 0.00 H new ATOM 0 HB2 LYS A 93 19.028 -6.818 -31.312 1.00 0.00 H new ATOM 0 HB3 LYS A 93 20.015 -6.437 -29.915 1.00 0.00 H new ATOM 0 HG2 LYS A 93 21.786 -7.901 -30.668 1.00 0.00 H new ATOM 0 HG3 LYS A 93 20.780 -8.559 -31.943 1.00 0.00 H new ATOM 0 HD2 LYS A 93 20.975 -6.673 -33.277 1.00 0.00 H new ATOM 0 HD3 LYS A 93 21.165 -5.588 -31.914 1.00 0.00 H new ATOM 0 HE2 LYS A 93 23.451 -6.239 -31.581 1.00 0.00 H new ATOM 0 HE3 LYS A 93 23.291 -7.626 -32.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 24.364 -5.413 -33.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 23.399 -6.348 -34.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 22.752 -4.967 -33.756 1.00 0.00 H new ATOM 1318 N THR A 94 17.177 -7.135 -29.017 1.00 0.00 N ATOM 1319 CA THR A 94 16.326 -6.504 -28.020 1.00 0.00 C ATOM 1320 C THR A 94 15.784 -7.531 -27.026 1.00 0.00 C ATOM 1321 O THR A 94 15.803 -7.313 -25.812 1.00 0.00 O ATOM 1322 CB THR A 94 15.160 -5.763 -28.698 1.00 0.00 C ATOM 1323 OG1 THR A 94 14.522 -6.628 -29.645 1.00 0.00 O ATOM 1324 CG2 THR A 94 15.657 -4.515 -29.412 1.00 0.00 C ATOM 0 H THR A 94 16.853 -7.021 -29.977 1.00 0.00 H new ATOM 0 HA THR A 94 16.934 -5.784 -27.472 1.00 0.00 H new ATOM 0 HB THR A 94 14.447 -5.467 -27.928 1.00 0.00 H new ATOM 0 HG1 THR A 94 13.780 -6.153 -30.073 1.00 0.00 H new ATOM 0 HG21 THR A 94 14.816 -4.007 -29.884 1.00 0.00 H new ATOM 0 HG22 THR A 94 16.127 -3.846 -28.691 1.00 0.00 H new ATOM 0 HG23 THR A 94 16.385 -4.797 -30.173 1.00 0.00 H new ATOM 1332 N SER A 95 15.325 -8.658 -27.556 1.00 0.00 N ATOM 1333 CA SER A 95 14.818 -9.749 -26.745 1.00 0.00 C ATOM 1334 C SER A 95 15.917 -10.327 -25.847 1.00 0.00 C ATOM 1335 O SER A 95 15.666 -10.703 -24.700 1.00 0.00 O ATOM 1336 CB SER A 95 14.262 -10.825 -27.671 1.00 0.00 C ATOM 1337 OG SER A 95 13.357 -10.264 -28.611 1.00 0.00 O ATOM 0 H SER A 95 15.295 -8.838 -28.560 1.00 0.00 H new ATOM 0 HA SER A 95 14.028 -9.377 -26.092 1.00 0.00 H new ATOM 0 HB2 SER A 95 15.080 -11.317 -28.197 1.00 0.00 H new ATOM 0 HB3 SER A 95 13.755 -11.590 -27.083 1.00 0.00 H new ATOM 0 HG SER A 95 13.846 -10.000 -29.419 1.00 0.00 H new ATOM 1343 N SER A 96 17.135 -10.376 -26.378 1.00 0.00 N ATOM 1344 CA SER A 96 18.279 -10.900 -25.645 1.00 0.00 C ATOM 1345 C SER A 96 18.584 -10.056 -24.414 1.00 0.00 C ATOM 1346 O SER A 96 18.762 -10.587 -23.317 1.00 0.00 O ATOM 1347 CB SER A 96 19.503 -10.948 -26.558 1.00 0.00 C ATOM 1348 OG SER A 96 19.312 -11.866 -27.620 1.00 0.00 O ATOM 0 H SER A 96 17.354 -10.056 -27.321 1.00 0.00 H new ATOM 0 HA SER A 96 18.033 -11.908 -25.311 1.00 0.00 H new ATOM 0 HB2 SER A 96 19.698 -9.955 -26.963 1.00 0.00 H new ATOM 0 HB3 SER A 96 20.381 -11.234 -25.979 1.00 0.00 H new ATOM 0 HG SER A 96 18.703 -11.478 -28.282 1.00 0.00 H new ATOM 1354 N ILE A 97 18.630 -8.743 -24.599 1.00 0.00 N ATOM 1355 CA ILE A 97 18.949 -7.832 -23.507 1.00 0.00 C ATOM 1356 C ILE A 97 17.946 -7.989 -22.368 1.00 0.00 C ATOM 1357 O ILE A 97 18.326 -8.168 -21.210 1.00 0.00 O ATOM 1358 CB ILE A 97 18.966 -6.360 -23.976 1.00 0.00 C ATOM 1359 CG1 ILE A 97 19.972 -6.179 -25.117 1.00 0.00 C ATOM 1360 CG2 ILE A 97 19.311 -5.439 -22.813 1.00 0.00 C ATOM 1361 CD1 ILE A 97 20.032 -4.764 -25.652 1.00 0.00 C ATOM 0 H ILE A 97 18.451 -8.286 -25.493 1.00 0.00 H new ATOM 0 HA ILE A 97 19.947 -8.091 -23.154 1.00 0.00 H new ATOM 0 HB ILE A 97 17.973 -6.098 -24.343 1.00 0.00 H new ATOM 0 HG12 ILE A 97 20.963 -6.468 -24.766 1.00 0.00 H new ATOM 0 HG13 ILE A 97 19.712 -6.856 -25.931 1.00 0.00 H new ATOM 0 HG21 ILE A 97 19.319 -4.405 -23.158 1.00 0.00 H new ATOM 0 HG22 ILE A 97 18.566 -5.553 -22.025 1.00 0.00 H new ATOM 0 HG23 ILE A 97 20.295 -5.699 -22.422 1.00 0.00 H new ATOM 0 HD11 ILE A 97 20.765 -4.710 -26.457 1.00 0.00 H new ATOM 0 HD12 ILE A 97 19.052 -4.477 -26.034 1.00 0.00 H new ATOM 0 HD13 ILE A 97 20.322 -4.084 -24.851 1.00 0.00 H new ATOM 1373 N ALA A 98 16.664 -7.968 -22.713 1.00 0.00 N ATOM 1374 CA ALA A 98 15.603 -8.054 -21.717 1.00 0.00 C ATOM 1375 C ALA A 98 15.612 -9.399 -20.998 1.00 0.00 C ATOM 1376 O ALA A 98 15.275 -9.476 -19.816 1.00 0.00 O ATOM 1377 CB ALA A 98 14.249 -7.810 -22.356 1.00 0.00 C ATOM 0 H ALA A 98 16.334 -7.892 -23.675 1.00 0.00 H new ATOM 0 HA ALA A 98 15.789 -7.278 -20.975 1.00 0.00 H new ATOM 0 HB1 ALA A 98 13.470 -7.878 -21.596 1.00 0.00 H new ATOM 0 HB2 ALA A 98 14.232 -6.817 -22.804 1.00 0.00 H new ATOM 0 HB3 ALA A 98 14.070 -8.559 -23.127 1.00 0.00 H new ATOM 1383 N SER A 99 16.013 -10.452 -21.701 1.00 0.00 N ATOM 1384 CA SER A 99 16.038 -11.780 -21.113 1.00 0.00 C ATOM 1385 C SER A 99 17.180 -11.879 -20.107 1.00 0.00 C ATOM 1386 O SER A 99 17.066 -12.547 -19.077 1.00 0.00 O ATOM 1387 CB SER A 99 16.189 -12.840 -22.205 1.00 0.00 C ATOM 1388 OG SER A 99 15.894 -14.134 -21.711 1.00 0.00 O ATOM 0 H SER A 99 16.323 -10.410 -22.672 1.00 0.00 H new ATOM 0 HA SER A 99 15.097 -11.957 -20.592 1.00 0.00 H new ATOM 0 HB2 SER A 99 15.524 -12.606 -23.036 1.00 0.00 H new ATOM 0 HB3 SER A 99 17.207 -12.821 -22.595 1.00 0.00 H new ATOM 0 HG SER A 99 15.997 -14.791 -22.431 1.00 0.00 H new ATOM 1394 N ALA A 100 18.274 -11.191 -20.405 1.00 0.00 N ATOM 1395 CA ALA A 100 19.421 -11.155 -19.512 1.00 0.00 C ATOM 1396 C ALA A 100 19.160 -10.214 -18.338 1.00 0.00 C ATOM 1397 O ALA A 100 19.583 -10.481 -17.215 1.00 0.00 O ATOM 1398 CB ALA A 100 20.671 -10.732 -20.268 1.00 0.00 C ATOM 0 H ALA A 100 18.390 -10.649 -21.261 1.00 0.00 H new ATOM 0 HA ALA A 100 19.580 -12.158 -19.117 1.00 0.00 H new ATOM 0 HB1 ALA A 100 21.520 -10.710 -19.584 1.00 0.00 H new ATOM 0 HB2 ALA A 100 20.869 -11.443 -21.070 1.00 0.00 H new ATOM 0 HB3 ALA A 100 20.521 -9.739 -20.692 1.00 0.00 H new ATOM 1404 N MET A 101 18.449 -9.116 -18.603 1.00 0.00 N ATOM 1405 CA MET A 101 18.125 -8.140 -17.573 1.00 0.00 C ATOM 1406 C MET A 101 17.205 -8.741 -16.515 1.00 0.00 C ATOM 1407 O MET A 101 17.432 -8.580 -15.314 1.00 0.00 O ATOM 1408 CB MET A 101 17.463 -6.920 -18.207 1.00 0.00 C ATOM 1409 CG MET A 101 18.450 -5.946 -18.831 1.00 0.00 C ATOM 1410 SD MET A 101 17.664 -4.827 -20.008 1.00 0.00 S ATOM 1411 CE MET A 101 16.140 -4.458 -19.157 1.00 0.00 C ATOM 0 H MET A 101 18.087 -8.884 -19.528 1.00 0.00 H new ATOM 0 HA MET A 101 19.051 -7.838 -17.084 1.00 0.00 H new ATOM 0 HB2 MET A 101 16.762 -7.254 -18.972 1.00 0.00 H new ATOM 0 HB3 MET A 101 16.881 -6.398 -17.448 1.00 0.00 H new ATOM 0 HG2 MET A 101 18.928 -5.363 -18.044 1.00 0.00 H new ATOM 0 HG3 MET A 101 19.238 -6.505 -19.336 1.00 0.00 H new ATOM 0 HE1 MET A 101 15.617 -3.657 -19.679 1.00 0.00 H new ATOM 0 HE2 MET A 101 15.511 -5.348 -19.134 1.00 0.00 H new ATOM 0 HE3 MET A 101 16.360 -4.143 -18.137 1.00 0.00 H new ATOM 1421 N SER A 102 16.172 -9.439 -16.964 1.00 0.00 N ATOM 1422 CA SER A 102 15.236 -10.085 -16.058 1.00 0.00 C ATOM 1423 C SER A 102 15.941 -11.165 -15.247 1.00 0.00 C ATOM 1424 O SER A 102 15.795 -11.241 -14.030 1.00 0.00 O ATOM 1425 CB SER A 102 14.071 -10.682 -16.848 1.00 0.00 C ATOM 1426 OG SER A 102 14.542 -11.425 -17.960 1.00 0.00 O ATOM 0 H SER A 102 15.961 -9.572 -17.953 1.00 0.00 H new ATOM 0 HA SER A 102 14.844 -9.339 -15.366 1.00 0.00 H new ATOM 0 HB2 SER A 102 13.479 -11.327 -16.199 1.00 0.00 H new ATOM 0 HB3 SER A 102 13.412 -9.884 -17.191 1.00 0.00 H new ATOM 0 HG SER A 102 14.687 -10.822 -18.719 1.00 0.00 H new ATOM 1432 N ASN A 103 16.725 -11.979 -15.936 1.00 0.00 N ATOM 1433 CA ASN A 103 17.502 -13.039 -15.307 1.00 0.00 C ATOM 1434 C ASN A 103 18.447 -12.470 -14.251 1.00 0.00 C ATOM 1435 O ASN A 103 18.589 -13.035 -13.170 1.00 0.00 O ATOM 1436 CB ASN A 103 18.294 -13.785 -16.381 1.00 0.00 C ATOM 1437 CG ASN A 103 19.184 -14.883 -15.841 1.00 0.00 C ATOM 1438 OD1 ASN A 103 18.891 -15.508 -14.823 1.00 0.00 O ATOM 1439 ND2 ASN A 103 20.281 -15.130 -16.539 1.00 0.00 N ATOM 0 H ASN A 103 16.842 -11.925 -16.948 1.00 0.00 H new ATOM 0 HA ASN A 103 16.822 -13.729 -14.808 1.00 0.00 H new ATOM 0 HB2 ASN A 103 17.596 -14.217 -17.098 1.00 0.00 H new ATOM 0 HB3 ASN A 103 18.909 -13.069 -16.927 1.00 0.00 H new ATOM 0 HD21 ASN A 103 20.923 -15.864 -16.238 1.00 0.00 H new ATOM 0 HD22 ASN A 103 20.485 -14.587 -17.378 1.00 0.00 H new ATOM 1446 N ALA A 104 19.075 -11.343 -14.565 1.00 0.00 N ATOM 1447 CA ALA A 104 19.984 -10.688 -13.633 1.00 0.00 C ATOM 1448 C ALA A 104 19.245 -10.233 -12.376 1.00 0.00 C ATOM 1449 O ALA A 104 19.748 -10.387 -11.263 1.00 0.00 O ATOM 1450 CB ALA A 104 20.675 -9.513 -14.300 1.00 0.00 C ATOM 0 H ALA A 104 18.971 -10.863 -15.459 1.00 0.00 H new ATOM 0 HA ALA A 104 20.742 -11.412 -13.335 1.00 0.00 H new ATOM 0 HB1 ALA A 104 21.350 -9.036 -13.589 1.00 0.00 H new ATOM 0 HB2 ALA A 104 21.244 -9.866 -15.160 1.00 0.00 H new ATOM 0 HB3 ALA A 104 19.928 -8.792 -14.631 1.00 0.00 H new ATOM 1456 N PHE A 105 18.051 -9.679 -12.561 1.00 0.00 N ATOM 1457 CA PHE A 105 17.195 -9.314 -11.435 1.00 0.00 C ATOM 1458 C PHE A 105 16.845 -10.557 -10.621 1.00 0.00 C ATOM 1459 O PHE A 105 16.857 -10.540 -9.387 1.00 0.00 O ATOM 1460 CB PHE A 105 15.912 -8.652 -11.938 1.00 0.00 C ATOM 1461 CG PHE A 105 15.768 -7.212 -11.532 1.00 0.00 C ATOM 1462 CD1 PHE A 105 15.779 -6.852 -10.195 1.00 0.00 C ATOM 1463 CD2 PHE A 105 15.617 -6.222 -12.488 1.00 0.00 C ATOM 1464 CE1 PHE A 105 15.642 -5.531 -9.816 1.00 0.00 C ATOM 1465 CE2 PHE A 105 15.480 -4.898 -12.115 1.00 0.00 C ATOM 1466 CZ PHE A 105 15.492 -4.553 -10.778 1.00 0.00 C ATOM 0 H PHE A 105 17.654 -9.473 -13.478 1.00 0.00 H new ATOM 0 HA PHE A 105 17.734 -8.609 -10.802 1.00 0.00 H new ATOM 0 HB2 PHE A 105 15.884 -8.717 -13.026 1.00 0.00 H new ATOM 0 HB3 PHE A 105 15.055 -9.212 -11.563 1.00 0.00 H new ATOM 0 HD1 PHE A 105 15.896 -7.614 -9.439 1.00 0.00 H new ATOM 0 HD2 PHE A 105 15.606 -6.487 -13.535 1.00 0.00 H new ATOM 0 HE1 PHE A 105 15.652 -5.264 -8.770 1.00 0.00 H new ATOM 0 HE2 PHE A 105 15.364 -4.134 -12.869 1.00 0.00 H new ATOM 0 HZ PHE A 105 15.384 -3.519 -10.485 1.00 0.00 H new ATOM 1476 N LEU A 106 16.554 -11.635 -11.336 1.00 0.00 N ATOM 1477 CA LEU A 106 16.233 -12.923 -10.737 1.00 0.00 C ATOM 1478 C LEU A 106 17.401 -13.467 -9.915 1.00 0.00 C ATOM 1479 O LEU A 106 17.197 -14.172 -8.926 1.00 0.00 O ATOM 1480 CB LEU A 106 15.866 -13.921 -11.841 1.00 0.00 C ATOM 1481 CG LEU A 106 14.372 -14.084 -12.130 1.00 0.00 C ATOM 1482 CD1 LEU A 106 13.687 -12.737 -12.303 1.00 0.00 C ATOM 1483 CD2 LEU A 106 14.170 -14.948 -13.365 1.00 0.00 C ATOM 0 H LEU A 106 16.534 -11.640 -12.356 1.00 0.00 H new ATOM 0 HA LEU A 106 15.387 -12.784 -10.063 1.00 0.00 H new ATOM 0 HB2 LEU A 106 16.362 -13.613 -12.761 1.00 0.00 H new ATOM 0 HB3 LEU A 106 16.272 -14.896 -11.571 1.00 0.00 H new ATOM 0 HG LEU A 106 13.915 -14.577 -11.272 1.00 0.00 H new ATOM 0 HD11 LEU A 106 12.627 -12.891 -12.507 1.00 0.00 H new ATOM 0 HD12 LEU A 106 13.800 -12.152 -11.390 1.00 0.00 H new ATOM 0 HD13 LEU A 106 14.143 -12.201 -13.136 1.00 0.00 H new ATOM 0 HD21 LEU A 106 13.104 -15.058 -13.562 1.00 0.00 H new ATOM 0 HD22 LEU A 106 14.650 -14.476 -14.222 1.00 0.00 H new ATOM 0 HD23 LEU A 106 14.611 -15.931 -13.198 1.00 0.00 H new ATOM 1495 N GLN A 107 18.621 -13.136 -10.326 1.00 0.00 N ATOM 1496 CA GLN A 107 19.810 -13.630 -9.639 1.00 0.00 C ATOM 1497 C GLN A 107 20.163 -12.753 -8.443 1.00 0.00 C ATOM 1498 O GLN A 107 20.686 -13.242 -7.439 1.00 0.00 O ATOM 1499 CB GLN A 107 21.024 -13.702 -10.578 1.00 0.00 C ATOM 1500 CG GLN A 107 20.854 -14.608 -11.794 1.00 0.00 C ATOM 1501 CD GLN A 107 20.057 -15.865 -11.503 1.00 0.00 C ATOM 1502 OE1 GLN A 107 20.592 -16.861 -11.014 1.00 0.00 O ATOM 1503 NE2 GLN A 107 18.786 -15.845 -11.862 1.00 0.00 N ATOM 0 H GLN A 107 18.812 -12.532 -11.126 1.00 0.00 H new ATOM 0 HA GLN A 107 19.570 -14.636 -9.294 1.00 0.00 H new ATOM 0 HB2 GLN A 107 21.254 -12.695 -10.925 1.00 0.00 H new ATOM 0 HB3 GLN A 107 21.885 -14.047 -10.006 1.00 0.00 H new ATOM 0 HG2 GLN A 107 20.359 -14.049 -12.588 1.00 0.00 H new ATOM 0 HG3 GLN A 107 21.838 -14.889 -12.168 1.00 0.00 H new ATOM 0 HE21 GLN A 107 18.383 -14.998 -12.263 1.00 0.00 H new ATOM 0 HE22 GLN A 107 18.208 -16.676 -11.738 1.00 0.00 H new ATOM 1512 N THR A 108 19.881 -11.463 -8.544 1.00 0.00 N ATOM 1513 CA THR A 108 20.297 -10.521 -7.524 1.00 0.00 C ATOM 1514 C THR A 108 19.278 -10.437 -6.397 1.00 0.00 C ATOM 1515 O THR A 108 19.637 -10.442 -5.220 1.00 0.00 O ATOM 1516 CB THR A 108 20.521 -9.122 -8.128 1.00 0.00 C ATOM 1517 OG1 THR A 108 19.458 -8.813 -9.038 1.00 0.00 O ATOM 1518 CG2 THR A 108 21.856 -9.051 -8.854 1.00 0.00 C ATOM 0 H THR A 108 19.367 -11.048 -9.321 1.00 0.00 H new ATOM 0 HA THR A 108 21.238 -10.885 -7.112 1.00 0.00 H new ATOM 0 HB THR A 108 20.532 -8.394 -7.317 1.00 0.00 H new ATOM 0 HG1 THR A 108 19.623 -9.256 -9.896 1.00 0.00 H new ATOM 0 HG21 THR A 108 21.990 -8.053 -9.272 1.00 0.00 H new ATOM 0 HG22 THR A 108 22.663 -9.263 -8.153 1.00 0.00 H new ATOM 0 HG23 THR A 108 21.872 -9.786 -9.659 1.00 0.00 H new ATOM 1526 N THR A 109 18.008 -10.378 -6.757 1.00 0.00 N ATOM 1527 CA THR A 109 16.958 -10.177 -5.774 1.00 0.00 C ATOM 1528 C THR A 109 15.979 -11.349 -5.758 1.00 0.00 C ATOM 1529 O THR A 109 15.495 -11.754 -4.703 1.00 0.00 O ATOM 1530 CB THR A 109 16.189 -8.873 -6.064 1.00 0.00 C ATOM 1531 OG1 THR A 109 15.356 -9.039 -7.218 1.00 0.00 O ATOM 1532 CG2 THR A 109 17.159 -7.730 -6.315 1.00 0.00 C ATOM 0 H THR A 109 17.680 -10.466 -7.719 1.00 0.00 H new ATOM 0 HA THR A 109 17.435 -10.109 -4.796 1.00 0.00 H new ATOM 0 HB THR A 109 15.572 -8.640 -5.196 1.00 0.00 H new ATOM 0 HG1 THR A 109 15.845 -9.537 -7.906 1.00 0.00 H new ATOM 0 HG21 THR A 109 16.600 -6.817 -6.518 1.00 0.00 H new ATOM 0 HG22 THR A 109 17.785 -7.584 -5.435 1.00 0.00 H new ATOM 0 HG23 THR A 109 17.788 -7.969 -7.172 1.00 0.00 H new ATOM 1540 N GLY A 110 15.697 -11.890 -6.936 1.00 0.00 N ATOM 1541 CA GLY A 110 14.708 -12.939 -7.053 1.00 0.00 C ATOM 1542 C GLY A 110 13.402 -12.399 -7.595 1.00 0.00 C ATOM 1543 O GLY A 110 12.461 -13.149 -7.859 1.00 0.00 O ATOM 0 H GLY A 110 16.138 -11.619 -7.815 1.00 0.00 H new ATOM 0 HA2 GLY A 110 15.082 -13.724 -7.711 1.00 0.00 H new ATOM 0 HA3 GLY A 110 14.540 -13.395 -6.077 1.00 0.00 H new ATOM 1547 N VAL A 111 13.357 -11.085 -7.750 1.00 0.00 N ATOM 1548 CA VAL A 111 12.203 -10.396 -8.301 1.00 0.00 C ATOM 1549 C VAL A 111 12.655 -9.587 -9.508 1.00 0.00 C ATOM 1550 O VAL A 111 13.823 -9.220 -9.605 1.00 0.00 O ATOM 1551 CB VAL A 111 11.554 -9.454 -7.253 1.00 0.00 C ATOM 1552 CG1 VAL A 111 10.233 -8.891 -7.757 1.00 0.00 C ATOM 1553 CG2 VAL A 111 11.355 -10.171 -5.923 1.00 0.00 C ATOM 0 H VAL A 111 14.125 -10.464 -7.495 1.00 0.00 H new ATOM 0 HA VAL A 111 11.455 -11.134 -8.592 1.00 0.00 H new ATOM 0 HB VAL A 111 12.238 -8.620 -7.095 1.00 0.00 H new ATOM 0 HG11 VAL A 111 9.804 -8.235 -6.999 1.00 0.00 H new ATOM 0 HG12 VAL A 111 10.404 -8.325 -8.672 1.00 0.00 H new ATOM 0 HG13 VAL A 111 9.543 -9.710 -7.961 1.00 0.00 H new ATOM 0 HG21 VAL A 111 10.899 -9.488 -5.206 1.00 0.00 H new ATOM 0 HG22 VAL A 111 10.704 -11.033 -6.068 1.00 0.00 H new ATOM 0 HG23 VAL A 111 12.320 -10.505 -5.542 1.00 0.00 H new ATOM 1563 N VAL A 112 11.754 -9.322 -10.434 1.00 0.00 N ATOM 1564 CA VAL A 112 12.125 -8.591 -11.627 1.00 0.00 C ATOM 1565 C VAL A 112 11.222 -7.378 -11.835 1.00 0.00 C ATOM 1566 O VAL A 112 9.998 -7.467 -11.732 1.00 0.00 O ATOM 1567 CB VAL A 112 12.114 -9.503 -12.877 1.00 0.00 C ATOM 1568 CG1 VAL A 112 10.748 -10.138 -13.089 1.00 0.00 C ATOM 1569 CG2 VAL A 112 12.551 -8.730 -14.110 1.00 0.00 C ATOM 0 H VAL A 112 10.773 -9.598 -10.384 1.00 0.00 H new ATOM 0 HA VAL A 112 13.145 -8.234 -11.484 1.00 0.00 H new ATOM 0 HB VAL A 112 12.828 -10.309 -12.708 1.00 0.00 H new ATOM 0 HG11 VAL A 112 10.775 -10.772 -13.975 1.00 0.00 H new ATOM 0 HG12 VAL A 112 10.488 -10.741 -12.219 1.00 0.00 H new ATOM 0 HG13 VAL A 112 10.001 -9.356 -13.225 1.00 0.00 H new ATOM 0 HG21 VAL A 112 12.536 -9.390 -14.977 1.00 0.00 H new ATOM 0 HG22 VAL A 112 11.870 -7.896 -14.277 1.00 0.00 H new ATOM 0 HG23 VAL A 112 13.561 -8.349 -13.961 1.00 0.00 H new ATOM 1579 N ASN A 113 11.841 -6.236 -12.101 1.00 0.00 N ATOM 1580 CA ASN A 113 11.102 -5.007 -12.340 1.00 0.00 C ATOM 1581 C ASN A 113 10.664 -4.939 -13.798 1.00 0.00 C ATOM 1582 O ASN A 113 11.458 -4.622 -14.683 1.00 0.00 O ATOM 1583 CB ASN A 113 11.954 -3.786 -11.993 1.00 0.00 C ATOM 1584 CG ASN A 113 11.169 -2.492 -12.080 1.00 0.00 C ATOM 1585 OD1 ASN A 113 11.019 -1.915 -13.155 1.00 0.00 O ATOM 1586 ND2 ASN A 113 10.677 -2.017 -10.946 1.00 0.00 N ATOM 0 H ASN A 113 12.855 -6.136 -12.156 1.00 0.00 H new ATOM 0 HA ASN A 113 10.220 -5.005 -11.699 1.00 0.00 H new ATOM 0 HB2 ASN A 113 12.353 -3.899 -10.985 1.00 0.00 H new ATOM 0 HB3 ASN A 113 12.807 -3.737 -12.670 1.00 0.00 H new ATOM 0 HD21 ASN A 113 10.152 -1.142 -10.945 1.00 0.00 H new ATOM 0 HD22 ASN A 113 10.823 -2.526 -10.074 1.00 0.00 H new ATOM 1593 N GLN A 114 9.405 -5.260 -14.037 1.00 0.00 N ATOM 1594 CA GLN A 114 8.860 -5.297 -15.390 1.00 0.00 C ATOM 1595 C GLN A 114 8.754 -3.895 -16.025 1.00 0.00 C ATOM 1596 O GLN A 114 9.193 -3.717 -17.161 1.00 0.00 O ATOM 1597 CB GLN A 114 7.492 -5.990 -15.393 1.00 0.00 C ATOM 1598 CG GLN A 114 6.945 -6.254 -16.785 1.00 0.00 C ATOM 1599 CD GLN A 114 7.819 -7.209 -17.580 1.00 0.00 C ATOM 1600 OE1 GLN A 114 7.629 -8.423 -17.530 1.00 0.00 O ATOM 1601 NE2 GLN A 114 8.770 -6.669 -18.324 1.00 0.00 N ATOM 0 H GLN A 114 8.733 -5.501 -13.308 1.00 0.00 H new ATOM 0 HA GLN A 114 9.558 -5.870 -16.000 1.00 0.00 H new ATOM 0 HB2 GLN A 114 7.573 -6.936 -14.858 1.00 0.00 H new ATOM 0 HB3 GLN A 114 6.781 -5.373 -14.844 1.00 0.00 H new ATOM 0 HG2 GLN A 114 5.940 -6.667 -16.705 1.00 0.00 H new ATOM 0 HG3 GLN A 114 6.860 -5.310 -17.324 1.00 0.00 H new ATOM 0 HE21 GLN A 114 8.894 -5.657 -18.337 1.00 0.00 H new ATOM 0 HE22 GLN A 114 9.379 -7.265 -18.885 1.00 0.00 H new ATOM 1610 N PRO A 115 8.161 -2.887 -15.321 1.00 0.00 N ATOM 1611 CA PRO A 115 7.954 -1.534 -15.868 1.00 0.00 C ATOM 1612 C PRO A 115 9.181 -0.950 -16.572 1.00 0.00 C ATOM 1613 O PRO A 115 9.065 -0.419 -17.681 1.00 0.00 O ATOM 1614 CB PRO A 115 7.589 -0.680 -14.640 1.00 0.00 C ATOM 1615 CG PRO A 115 7.755 -1.571 -13.453 1.00 0.00 C ATOM 1616 CD PRO A 115 7.612 -2.975 -13.960 1.00 0.00 C ATOM 0 HA PRO A 115 7.185 -1.554 -16.641 1.00 0.00 H new ATOM 0 HB2 PRO A 115 8.237 0.193 -14.566 1.00 0.00 H new ATOM 0 HB3 PRO A 115 6.565 -0.312 -14.711 1.00 0.00 H new ATOM 0 HG2 PRO A 115 8.730 -1.422 -12.988 1.00 0.00 H new ATOM 0 HG3 PRO A 115 7.003 -1.353 -12.694 1.00 0.00 H new ATOM 0 HD2 PRO A 115 8.165 -3.685 -13.346 1.00 0.00 H new ATOM 0 HD3 PRO A 115 6.572 -3.300 -13.964 1.00 0.00 H new ATOM 1624 N PHE A 116 10.352 -1.060 -15.949 1.00 0.00 N ATOM 1625 CA PHE A 116 11.561 -0.475 -16.512 1.00 0.00 C ATOM 1626 C PHE A 116 12.004 -1.248 -17.742 1.00 0.00 C ATOM 1627 O PHE A 116 12.402 -0.657 -18.742 1.00 0.00 O ATOM 1628 CB PHE A 116 12.692 -0.429 -15.477 1.00 0.00 C ATOM 1629 CG PHE A 116 12.691 0.823 -14.638 1.00 0.00 C ATOM 1630 CD1 PHE A 116 11.813 0.969 -13.574 1.00 0.00 C ATOM 1631 CD2 PHE A 116 13.571 1.859 -14.918 1.00 0.00 C ATOM 1632 CE1 PHE A 116 11.812 2.120 -12.809 1.00 0.00 C ATOM 1633 CE2 PHE A 116 13.574 3.013 -14.155 1.00 0.00 C ATOM 1634 CZ PHE A 116 12.695 3.143 -13.099 1.00 0.00 C ATOM 0 H PHE A 116 10.487 -1.545 -15.062 1.00 0.00 H new ATOM 0 HA PHE A 116 11.330 0.549 -16.805 1.00 0.00 H new ATOM 0 HB2 PHE A 116 12.609 -1.296 -14.821 1.00 0.00 H new ATOM 0 HB3 PHE A 116 13.649 -0.510 -15.993 1.00 0.00 H new ATOM 0 HD1 PHE A 116 11.121 0.173 -13.340 1.00 0.00 H new ATOM 0 HD2 PHE A 116 14.262 1.763 -15.742 1.00 0.00 H new ATOM 0 HE1 PHE A 116 11.121 2.220 -11.985 1.00 0.00 H new ATOM 0 HE2 PHE A 116 14.264 3.812 -14.386 1.00 0.00 H new ATOM 0 HZ PHE A 116 12.697 4.042 -12.501 1.00 0.00 H new ATOM 1644 N ILE A 117 11.898 -2.570 -17.675 1.00 0.00 N ATOM 1645 CA ILE A 117 12.302 -3.411 -18.788 1.00 0.00 C ATOM 1646 C ILE A 117 11.440 -3.125 -20.018 1.00 0.00 C ATOM 1647 O ILE A 117 11.938 -3.093 -21.147 1.00 0.00 O ATOM 1648 CB ILE A 117 12.239 -4.915 -18.436 1.00 0.00 C ATOM 1649 CG1 ILE A 117 13.211 -5.228 -17.293 1.00 0.00 C ATOM 1650 CG2 ILE A 117 12.560 -5.764 -19.662 1.00 0.00 C ATOM 1651 CD1 ILE A 117 13.380 -6.708 -17.016 1.00 0.00 C ATOM 0 H ILE A 117 11.538 -3.077 -16.866 1.00 0.00 H new ATOM 0 HA ILE A 117 13.341 -3.168 -19.011 1.00 0.00 H new ATOM 0 HB ILE A 117 11.228 -5.157 -18.110 1.00 0.00 H new ATOM 0 HG12 ILE A 117 14.185 -4.800 -17.530 1.00 0.00 H new ATOM 0 HG13 ILE A 117 12.859 -4.737 -16.386 1.00 0.00 H new ATOM 0 HG21 ILE A 117 12.511 -6.820 -19.396 1.00 0.00 H new ATOM 0 HG22 ILE A 117 11.836 -5.554 -20.450 1.00 0.00 H new ATOM 0 HG23 ILE A 117 13.562 -5.525 -20.018 1.00 0.00 H new ATOM 0 HD11 ILE A 117 14.083 -6.846 -16.194 1.00 0.00 H new ATOM 0 HD12 ILE A 117 12.416 -7.140 -16.746 1.00 0.00 H new ATOM 0 HD13 ILE A 117 13.763 -7.204 -17.908 1.00 0.00 H new ATOM 1663 N ASN A 118 10.155 -2.879 -19.785 1.00 0.00 N ATOM 1664 CA ASN A 118 9.226 -2.556 -20.864 1.00 0.00 C ATOM 1665 C ASN A 118 9.672 -1.300 -21.600 1.00 0.00 C ATOM 1666 O ASN A 118 9.745 -1.284 -22.827 1.00 0.00 O ATOM 1667 CB ASN A 118 7.810 -2.355 -20.320 1.00 0.00 C ATOM 1668 CG ASN A 118 7.203 -3.632 -19.776 1.00 0.00 C ATOM 1669 OD1 ASN A 118 7.532 -4.730 -20.219 1.00 0.00 O ATOM 1670 ND2 ASN A 118 6.310 -3.492 -18.811 1.00 0.00 N ATOM 0 H ASN A 118 9.732 -2.897 -18.857 1.00 0.00 H new ATOM 0 HA ASN A 118 9.222 -3.394 -21.561 1.00 0.00 H new ATOM 0 HB2 ASN A 118 7.832 -1.604 -19.531 1.00 0.00 H new ATOM 0 HB3 ASN A 118 7.173 -1.965 -21.114 1.00 0.00 H new ATOM 0 HD21 ASN A 118 5.865 -4.315 -18.405 1.00 0.00 H new ATOM 0 HD22 ASN A 118 6.066 -2.561 -18.473 1.00 0.00 H new ATOM 1677 N GLU A 119 9.985 -0.253 -20.843 1.00 0.00 N ATOM 1678 CA GLU A 119 10.407 1.008 -21.436 1.00 0.00 C ATOM 1679 C GLU A 119 11.737 0.858 -22.162 1.00 0.00 C ATOM 1680 O GLU A 119 11.867 1.285 -23.309 1.00 0.00 O ATOM 1681 CB GLU A 119 10.502 2.103 -20.376 1.00 0.00 C ATOM 1682 CG GLU A 119 9.154 2.485 -19.792 1.00 0.00 C ATOM 1683 CD GLU A 119 9.221 3.705 -18.901 1.00 0.00 C ATOM 1684 OE1 GLU A 119 9.537 4.803 -19.408 1.00 0.00 O ATOM 1685 OE2 GLU A 119 8.944 3.575 -17.693 1.00 0.00 O ATOM 0 H GLU A 119 9.954 -0.254 -19.823 1.00 0.00 H new ATOM 0 HA GLU A 119 9.652 1.297 -22.167 1.00 0.00 H new ATOM 0 HB2 GLU A 119 11.157 1.767 -19.572 1.00 0.00 H new ATOM 0 HB3 GLU A 119 10.964 2.987 -20.816 1.00 0.00 H new ATOM 0 HG2 GLU A 119 8.452 2.673 -20.605 1.00 0.00 H new ATOM 0 HG3 GLU A 119 8.761 1.645 -19.220 1.00 0.00 H new ATOM 1692 N ILE A 120 12.716 0.234 -21.506 1.00 0.00 N ATOM 1693 CA ILE A 120 14.030 0.045 -22.107 1.00 0.00 C ATOM 1694 C ILE A 120 13.918 -0.631 -23.478 1.00 0.00 C ATOM 1695 O ILE A 120 14.416 -0.099 -24.467 1.00 0.00 O ATOM 1696 CB ILE A 120 14.986 -0.756 -21.178 1.00 0.00 C ATOM 1697 CG1 ILE A 120 15.738 0.183 -20.225 1.00 0.00 C ATOM 1698 CG2 ILE A 120 15.992 -1.571 -21.983 1.00 0.00 C ATOM 1699 CD1 ILE A 120 14.862 0.987 -19.293 1.00 0.00 C ATOM 0 H ILE A 120 12.622 -0.146 -20.564 1.00 0.00 H new ATOM 0 HA ILE A 120 14.462 1.036 -22.245 1.00 0.00 H new ATOM 0 HB ILE A 120 14.368 -1.440 -20.596 1.00 0.00 H new ATOM 0 HG12 ILE A 120 16.430 -0.410 -19.627 1.00 0.00 H new ATOM 0 HG13 ILE A 120 16.339 0.872 -20.818 1.00 0.00 H new ATOM 0 HG21 ILE A 120 16.644 -2.118 -21.303 1.00 0.00 H new ATOM 0 HG22 ILE A 120 15.461 -2.276 -22.622 1.00 0.00 H new ATOM 0 HG23 ILE A 120 16.591 -0.902 -22.601 1.00 0.00 H new ATOM 0 HD11 ILE A 120 15.486 1.619 -18.661 1.00 0.00 H new ATOM 0 HD12 ILE A 120 14.187 1.613 -19.877 1.00 0.00 H new ATOM 0 HD13 ILE A 120 14.279 0.311 -18.667 1.00 0.00 H new ATOM 1711 N THR A 121 13.217 -1.764 -23.547 1.00 0.00 N ATOM 1712 CA THR A 121 13.137 -2.539 -24.784 1.00 0.00 C ATOM 1713 C THR A 121 12.557 -1.723 -25.937 1.00 0.00 C ATOM 1714 O THR A 121 13.027 -1.819 -27.075 1.00 0.00 O ATOM 1715 CB THR A 121 12.298 -3.819 -24.603 1.00 0.00 C ATOM 1716 OG1 THR A 121 11.029 -3.497 -24.025 1.00 0.00 O ATOM 1717 CG2 THR A 121 13.022 -4.821 -23.725 1.00 0.00 C ATOM 0 H THR A 121 12.699 -2.163 -22.764 1.00 0.00 H new ATOM 0 HA THR A 121 14.162 -2.815 -25.030 1.00 0.00 H new ATOM 0 HB THR A 121 12.145 -4.267 -25.585 1.00 0.00 H new ATOM 0 HG1 THR A 121 11.139 -3.332 -23.065 1.00 0.00 H new ATOM 0 HG21 THR A 121 12.409 -5.716 -23.612 1.00 0.00 H new ATOM 0 HG22 THR A 121 13.973 -5.088 -24.186 1.00 0.00 H new ATOM 0 HG23 THR A 121 13.205 -4.381 -22.745 1.00 0.00 H new ATOM 1725 N GLN A 122 11.548 -0.913 -25.637 1.00 0.00 N ATOM 1726 CA GLN A 122 10.909 -0.088 -26.654 1.00 0.00 C ATOM 1727 C GLN A 122 11.871 0.988 -27.142 1.00 0.00 C ATOM 1728 O GLN A 122 12.008 1.217 -28.344 1.00 0.00 O ATOM 1729 CB GLN A 122 9.633 0.565 -26.116 1.00 0.00 C ATOM 1730 CG GLN A 122 8.626 -0.416 -25.530 1.00 0.00 C ATOM 1731 CD GLN A 122 8.304 -1.568 -26.462 1.00 0.00 C ATOM 1732 OE1 GLN A 122 7.419 -1.471 -27.312 1.00 0.00 O ATOM 1733 NE2 GLN A 122 8.998 -2.681 -26.285 1.00 0.00 N ATOM 0 H GLN A 122 11.156 -0.810 -24.701 1.00 0.00 H new ATOM 0 HA GLN A 122 10.639 -0.736 -27.488 1.00 0.00 H new ATOM 0 HB2 GLN A 122 9.905 1.290 -25.349 1.00 0.00 H new ATOM 0 HB3 GLN A 122 9.155 1.120 -26.923 1.00 0.00 H new ATOM 0 HG2 GLN A 122 9.018 -0.813 -24.594 1.00 0.00 H new ATOM 0 HG3 GLN A 122 7.706 0.117 -25.290 1.00 0.00 H new ATOM 0 HE21 GLN A 122 9.724 -2.721 -25.569 1.00 0.00 H new ATOM 0 HE22 GLN A 122 8.807 -3.499 -26.864 1.00 0.00 H new ATOM 1742 N LEU A 123 12.549 1.632 -26.200 1.00 0.00 N ATOM 1743 CA LEU A 123 13.501 2.686 -26.522 1.00 0.00 C ATOM 1744 C LEU A 123 14.713 2.134 -27.262 1.00 0.00 C ATOM 1745 O LEU A 123 15.231 2.790 -28.159 1.00 0.00 O ATOM 1746 CB LEU A 123 13.934 3.429 -25.258 1.00 0.00 C ATOM 1747 CG LEU A 123 13.029 4.594 -24.833 1.00 0.00 C ATOM 1748 CD1 LEU A 123 11.608 4.131 -24.554 1.00 0.00 C ATOM 1749 CD2 LEU A 123 13.602 5.286 -23.609 1.00 0.00 C ATOM 0 H LEU A 123 12.456 1.441 -25.202 1.00 0.00 H new ATOM 0 HA LEU A 123 13.000 3.393 -27.184 1.00 0.00 H new ATOM 0 HB2 LEU A 123 13.986 2.714 -24.437 1.00 0.00 H new ATOM 0 HB3 LEU A 123 14.943 3.813 -25.411 1.00 0.00 H new ATOM 0 HG LEU A 123 12.992 5.301 -25.662 1.00 0.00 H new ATOM 0 HD11 LEU A 123 10.999 4.985 -24.256 1.00 0.00 H new ATOM 0 HD12 LEU A 123 11.188 3.682 -25.454 1.00 0.00 H new ATOM 0 HD13 LEU A 123 11.617 3.394 -23.751 1.00 0.00 H new ATOM 0 HD21 LEU A 123 12.950 6.110 -23.318 1.00 0.00 H new ATOM 0 HD22 LEU A 123 13.673 4.573 -22.788 1.00 0.00 H new ATOM 0 HD23 LEU A 123 14.594 5.673 -23.841 1.00 0.00 H new ATOM 1761 N VAL A 124 15.156 0.934 -26.896 1.00 0.00 N ATOM 1762 CA VAL A 124 16.229 0.266 -27.631 1.00 0.00 C ATOM 1763 C VAL A 124 15.869 0.182 -29.100 1.00 0.00 C ATOM 1764 O VAL A 124 16.568 0.702 -29.963 1.00 0.00 O ATOM 1765 CB VAL A 124 16.470 -1.176 -27.141 1.00 0.00 C ATOM 1766 CG1 VAL A 124 17.567 -1.842 -27.956 1.00 0.00 C ATOM 1767 CG2 VAL A 124 16.836 -1.209 -25.669 1.00 0.00 C ATOM 0 H VAL A 124 14.793 0.407 -26.102 1.00 0.00 H new ATOM 0 HA VAL A 124 17.130 0.856 -27.466 1.00 0.00 H new ATOM 0 HB VAL A 124 15.538 -1.725 -27.275 1.00 0.00 H new ATOM 0 HG11 VAL A 124 17.722 -2.859 -27.595 1.00 0.00 H new ATOM 0 HG12 VAL A 124 17.274 -1.870 -29.006 1.00 0.00 H new ATOM 0 HG13 VAL A 124 18.492 -1.275 -27.853 1.00 0.00 H new ATOM 0 HG21 VAL A 124 16.999 -2.241 -25.358 1.00 0.00 H new ATOM 0 HG22 VAL A 124 17.747 -0.633 -25.508 1.00 0.00 H new ATOM 0 HG23 VAL A 124 16.025 -0.777 -25.083 1.00 0.00 H new ATOM 1777 N SER A 125 14.747 -0.464 -29.351 1.00 0.00 N ATOM 1778 CA SER A 125 14.240 -0.685 -30.684 1.00 0.00 C ATOM 1779 C SER A 125 14.075 0.632 -31.454 1.00 0.00 C ATOM 1780 O SER A 125 14.419 0.719 -32.635 1.00 0.00 O ATOM 1781 CB SER A 125 12.912 -1.414 -30.541 1.00 0.00 C ATOM 1782 OG SER A 125 13.103 -2.736 -30.064 1.00 0.00 O ATOM 0 H SER A 125 14.155 -0.855 -28.619 1.00 0.00 H new ATOM 0 HA SER A 125 14.945 -1.282 -31.262 1.00 0.00 H new ATOM 0 HB2 SER A 125 12.265 -0.867 -29.855 1.00 0.00 H new ATOM 0 HB3 SER A 125 12.403 -1.442 -31.505 1.00 0.00 H new ATOM 0 HG SER A 125 13.121 -2.731 -29.084 1.00 0.00 H new ATOM 1788 N MET A 126 13.577 1.658 -30.770 1.00 0.00 N ATOM 1789 CA MET A 126 13.344 2.953 -31.392 1.00 0.00 C ATOM 1790 C MET A 126 14.663 3.676 -31.676 1.00 0.00 C ATOM 1791 O MET A 126 14.937 4.054 -32.817 1.00 0.00 O ATOM 1792 CB MET A 126 12.438 3.800 -30.491 1.00 0.00 C ATOM 1793 CG MET A 126 11.982 5.103 -31.122 1.00 0.00 C ATOM 1794 SD MET A 126 13.149 6.461 -30.894 1.00 0.00 S ATOM 1795 CE MET A 126 13.012 6.719 -29.127 1.00 0.00 C ATOM 0 H MET A 126 13.327 1.615 -29.782 1.00 0.00 H new ATOM 0 HA MET A 126 12.847 2.797 -32.349 1.00 0.00 H new ATOM 0 HB2 MET A 126 11.560 3.213 -30.221 1.00 0.00 H new ATOM 0 HB3 MET A 126 12.969 4.023 -29.566 1.00 0.00 H new ATOM 0 HG2 MET A 126 11.825 4.945 -32.189 1.00 0.00 H new ATOM 0 HG3 MET A 126 11.019 5.386 -30.696 1.00 0.00 H new ATOM 0 HE1 MET A 126 13.391 7.709 -28.873 1.00 0.00 H new ATOM 0 HE2 MET A 126 11.967 6.643 -28.828 1.00 0.00 H new ATOM 0 HE3 MET A 126 13.595 5.962 -28.602 1.00 0.00 H new ATOM 1805 N PHE A 127 15.488 3.838 -30.646 1.00 0.00 N ATOM 1806 CA PHE A 127 16.759 4.545 -30.775 1.00 0.00 C ATOM 1807 C PHE A 127 17.712 3.820 -31.723 1.00 0.00 C ATOM 1808 O PHE A 127 18.565 4.444 -32.350 1.00 0.00 O ATOM 1809 CB PHE A 127 17.417 4.725 -29.406 1.00 0.00 C ATOM 1810 CG PHE A 127 16.852 5.857 -28.595 1.00 0.00 C ATOM 1811 CD1 PHE A 127 17.006 7.169 -29.011 1.00 0.00 C ATOM 1812 CD2 PHE A 127 16.183 5.608 -27.407 1.00 0.00 C ATOM 1813 CE1 PHE A 127 16.501 8.213 -28.258 1.00 0.00 C ATOM 1814 CE2 PHE A 127 15.675 6.646 -26.651 1.00 0.00 C ATOM 1815 CZ PHE A 127 15.834 7.951 -27.077 1.00 0.00 C ATOM 0 H PHE A 127 15.298 3.487 -29.707 1.00 0.00 H new ATOM 0 HA PHE A 127 16.545 5.526 -31.198 1.00 0.00 H new ATOM 0 HB2 PHE A 127 17.311 3.799 -28.840 1.00 0.00 H new ATOM 0 HB3 PHE A 127 18.485 4.892 -29.548 1.00 0.00 H new ATOM 0 HD1 PHE A 127 17.526 7.379 -29.934 1.00 0.00 H new ATOM 0 HD2 PHE A 127 16.057 4.590 -27.068 1.00 0.00 H new ATOM 0 HE1 PHE A 127 16.628 9.232 -28.593 1.00 0.00 H new ATOM 0 HE2 PHE A 127 15.154 6.438 -25.728 1.00 0.00 H new ATOM 0 HZ PHE A 127 15.438 8.765 -26.488 1.00 0.00 H new ATOM 1825 N ALA A 128 17.556 2.505 -31.825 1.00 0.00 N ATOM 1826 CA ALA A 128 18.376 1.699 -32.722 1.00 0.00 C ATOM 1827 C ALA A 128 18.218 2.154 -34.162 1.00 0.00 C ATOM 1828 O ALA A 128 19.196 2.298 -34.893 1.00 0.00 O ATOM 1829 CB ALA A 128 17.999 0.234 -32.609 1.00 0.00 C ATOM 0 H ALA A 128 16.866 1.972 -31.295 1.00 0.00 H new ATOM 0 HA ALA A 128 19.417 1.828 -32.427 1.00 0.00 H new ATOM 0 HB1 ALA A 128 18.620 -0.355 -33.285 1.00 0.00 H new ATOM 0 HB2 ALA A 128 18.156 -0.104 -31.585 1.00 0.00 H new ATOM 0 HB3 ALA A 128 16.950 0.107 -32.876 1.00 0.00 H new ATOM 1835 N GLN A 129 16.980 2.389 -34.564 1.00 0.00 N ATOM 1836 CA GLN A 129 16.687 2.796 -35.929 1.00 0.00 C ATOM 1837 C GLN A 129 17.295 4.168 -36.214 1.00 0.00 C ATOM 1838 O GLN A 129 17.809 4.424 -37.305 1.00 0.00 O ATOM 1839 CB GLN A 129 15.176 2.825 -36.151 1.00 0.00 C ATOM 1840 CG GLN A 129 14.495 1.498 -35.851 1.00 0.00 C ATOM 1841 CD GLN A 129 14.895 0.397 -36.815 1.00 0.00 C ATOM 1842 OE1 GLN A 129 14.271 0.213 -37.861 1.00 0.00 O ATOM 1843 NE2 GLN A 129 15.931 -0.346 -36.465 1.00 0.00 N ATOM 0 H GLN A 129 16.160 2.305 -33.963 1.00 0.00 H new ATOM 0 HA GLN A 129 17.128 2.074 -36.616 1.00 0.00 H new ATOM 0 HB2 GLN A 129 14.739 3.600 -35.521 1.00 0.00 H new ATOM 0 HB3 GLN A 129 14.974 3.103 -37.185 1.00 0.00 H new ATOM 0 HG2 GLN A 129 14.741 1.191 -34.835 1.00 0.00 H new ATOM 0 HG3 GLN A 129 13.414 1.633 -35.890 1.00 0.00 H new ATOM 0 HE21 GLN A 129 16.420 -0.159 -35.589 1.00 0.00 H new ATOM 0 HE22 GLN A 129 16.241 -1.106 -37.071 1.00 0.00 H new