USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 633 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 59 ASN : amide:sc= -0.209 K(o=-0.26,f=-1.1) USER MOD Set 1.2: A 62 MET CE :methyl -175:sc= -0.0492 (180deg=-0.0857) USER MOD Set 2.1: A 14 CYS SG : rot 180:sc= 0.0744 USER MOD Set 2.2: A 16 TYR OH : rot -131:sc= 0.249 USER MOD Single : A 1 ALA N :NH3+ -167:sc= -0.0587 (180deg=-0.29) USER MOD Single : A 2 ASN : amide:sc= -3.75! C(o=-3.8!,f=-8.9!) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.0973 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -163:sc= -0.0469 (180deg=-0.355) USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.258 USER MOD Single : A 18 LYS NZ :NH3+ 167:sc= -0.0293 (180deg=-0.21) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN :FLIP amide:sc= 0.0252 F(o=-2.9,f=0.025) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -2.94 K(o=-2.9,f=-4.4!) USER MOD Single : A 32 MET CE :methyl -161:sc= -0.113 (180deg=-0.601) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.351 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -0.472 K(o=-0.47,f=-1.5) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.132 X(o=-0.13,f=-0.37) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -0.146 K(o=-0.15,f=-0.81) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl -134:sc= -0.227 (180deg=-3.06!) USER MOD Single : A 65 LYS NZ :NH3+ -126:sc= -0.0794 (180deg=-1.14) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -0.1 X(o=-0.1,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 13.842 19.026 -8.927 1.00 0.00 N ATOM 2 CA ALA A 1 13.392 20.087 -9.863 1.00 0.00 C ATOM 3 C ALA A 1 11.911 19.931 -10.196 1.00 0.00 C ATOM 4 O ALA A 1 11.223 20.909 -10.490 1.00 0.00 O ATOM 5 CB ALA A 1 14.226 20.052 -11.135 1.00 0.00 C ATOM 0 H1 ALA A 1 14.777 19.274 -8.545 1.00 0.00 H new ATOM 0 H2 ALA A 1 13.161 18.940 -8.146 1.00 0.00 H new ATOM 0 H3 ALA A 1 13.904 18.120 -9.433 1.00 0.00 H new ATOM 0 HA ALA A 1 13.529 21.052 -9.376 1.00 0.00 H new ATOM 0 HB1 ALA A 1 13.887 20.834 -11.814 1.00 0.00 H new ATOM 0 HB2 ALA A 1 15.275 20.216 -10.887 1.00 0.00 H new ATOM 0 HB3 ALA A 1 14.115 19.080 -11.617 1.00 0.00 H new ATOM 13 N ASN A 2 11.430 18.693 -10.146 1.00 0.00 N ATOM 14 CA ASN A 2 10.030 18.399 -10.438 1.00 0.00 C ATOM 15 C ASN A 2 9.478 17.382 -9.445 1.00 0.00 C ATOM 16 O ASN A 2 10.081 17.132 -8.403 1.00 0.00 O ATOM 17 CB ASN A 2 9.886 17.868 -11.867 1.00 0.00 C ATOM 18 CG ASN A 2 10.655 16.580 -12.089 1.00 0.00 C ATOM 19 OD1 ASN A 2 11.689 16.343 -11.464 1.00 0.00 O ATOM 20 ND2 ASN A 2 10.151 15.739 -12.983 1.00 0.00 N ATOM 0 H ASN A 2 11.990 17.875 -9.906 1.00 0.00 H new ATOM 0 HA ASN A 2 9.458 19.322 -10.345 1.00 0.00 H new ATOM 0 HB2 ASN A 2 8.831 17.699 -12.084 1.00 0.00 H new ATOM 0 HB3 ASN A 2 10.239 18.623 -12.569 1.00 0.00 H new ATOM 0 HD21 ASN A 2 10.623 14.856 -13.175 1.00 0.00 H new ATOM 0 HD22 ASN A 2 9.291 15.976 -13.478 1.00 0.00 H new ATOM 27 N TRP A 3 8.326 16.801 -9.769 1.00 0.00 N ATOM 28 CA TRP A 3 7.703 15.810 -8.898 1.00 0.00 C ATOM 29 C TRP A 3 7.573 14.466 -9.609 1.00 0.00 C ATOM 30 O TRP A 3 6.914 13.552 -9.114 1.00 0.00 O ATOM 31 CB TRP A 3 6.327 16.298 -8.435 1.00 0.00 C ATOM 32 CG TRP A 3 5.333 16.440 -9.548 1.00 0.00 C ATOM 33 CD1 TRP A 3 5.245 17.465 -10.444 1.00 0.00 C ATOM 34 CD2 TRP A 3 4.281 15.525 -9.879 1.00 0.00 C ATOM 35 NE1 TRP A 3 4.204 17.245 -11.313 1.00 0.00 N ATOM 36 CE2 TRP A 3 3.597 16.060 -10.986 1.00 0.00 C ATOM 37 CE3 TRP A 3 3.852 14.306 -9.347 1.00 0.00 C ATOM 38 CZ2 TRP A 3 2.508 15.418 -11.571 1.00 0.00 C ATOM 39 CZ3 TRP A 3 2.772 13.669 -9.929 1.00 0.00 C ATOM 40 CH2 TRP A 3 2.111 14.226 -11.030 1.00 0.00 C ATOM 0 H TRP A 3 7.807 16.998 -10.625 1.00 0.00 H new ATOM 0 HA TRP A 3 8.342 15.676 -8.025 1.00 0.00 H new ATOM 0 HB2 TRP A 3 5.934 15.601 -7.695 1.00 0.00 H new ATOM 0 HB3 TRP A 3 6.441 17.261 -7.937 1.00 0.00 H new ATOM 0 HD1 TRP A 3 5.899 18.324 -10.467 1.00 0.00 H new ATOM 0 HE1 TRP A 3 3.928 17.862 -12.077 1.00 0.00 H new ATOM 0 HE3 TRP A 3 4.355 13.870 -8.497 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 1.996 15.846 -12.420 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 2.432 12.726 -9.527 1.00 0.00 H new ATOM 0 HH2 TRP A 3 1.270 13.704 -11.461 1.00 0.00 H new ATOM 51 N ILE A 4 8.211 14.355 -10.771 1.00 0.00 N ATOM 52 CA ILE A 4 8.170 13.124 -11.552 1.00 0.00 C ATOM 53 C ILE A 4 9.509 12.396 -11.502 1.00 0.00 C ATOM 54 O ILE A 4 9.556 11.169 -11.411 1.00 0.00 O ATOM 55 CB ILE A 4 7.805 13.404 -13.024 1.00 0.00 C ATOM 56 CG1 ILE A 4 6.453 14.122 -13.115 1.00 0.00 C ATOM 57 CG2 ILE A 4 7.782 12.109 -13.825 1.00 0.00 C ATOM 58 CD1 ILE A 4 5.289 13.313 -12.577 1.00 0.00 C ATOM 0 H ILE A 4 8.762 15.103 -11.192 1.00 0.00 H new ATOM 0 HA ILE A 4 7.400 12.493 -11.108 1.00 0.00 H new ATOM 0 HB ILE A 4 8.568 14.055 -13.451 1.00 0.00 H new ATOM 0 HG12 ILE A 4 6.514 15.061 -12.566 1.00 0.00 H new ATOM 0 HG13 ILE A 4 6.256 14.374 -14.157 1.00 0.00 H new ATOM 0 HG21 ILE A 4 7.523 12.327 -14.861 1.00 0.00 H new ATOM 0 HG22 ILE A 4 8.766 11.641 -13.788 1.00 0.00 H new ATOM 0 HG23 ILE A 4 7.041 11.432 -13.400 1.00 0.00 H new ATOM 0 HD11 ILE A 4 4.369 13.889 -12.677 1.00 0.00 H new ATOM 0 HD12 ILE A 4 5.199 12.385 -13.142 1.00 0.00 H new ATOM 0 HD13 ILE A 4 5.461 13.083 -11.526 1.00 0.00 H new ATOM 70 N HIS A 5 10.596 13.159 -11.560 1.00 0.00 N ATOM 71 CA HIS A 5 11.935 12.583 -11.528 1.00 0.00 C ATOM 72 C HIS A 5 12.533 12.674 -10.127 1.00 0.00 C ATOM 73 O HIS A 5 13.484 11.963 -9.801 1.00 0.00 O ATOM 74 CB HIS A 5 12.839 13.296 -12.534 1.00 0.00 C ATOM 75 CG HIS A 5 14.165 12.626 -12.733 1.00 0.00 C ATOM 76 ND1 HIS A 5 14.362 11.600 -13.633 1.00 0.00 N ATOM 77 CD2 HIS A 5 15.364 12.842 -12.142 1.00 0.00 C ATOM 78 CE1 HIS A 5 15.626 11.214 -13.588 1.00 0.00 C ATOM 79 NE2 HIS A 5 16.254 11.952 -12.692 1.00 0.00 N ATOM 0 H HIS A 5 10.576 14.176 -11.629 1.00 0.00 H new ATOM 0 HA HIS A 5 11.861 11.530 -11.800 1.00 0.00 H new ATOM 0 HB2 HIS A 5 12.324 13.356 -13.493 1.00 0.00 H new ATOM 0 HB3 HIS A 5 13.006 14.319 -12.198 1.00 0.00 H new ATOM 0 HD2 HIS A 5 15.580 13.577 -11.381 1.00 0.00 H new ATOM 0 HE1 HIS A 5 16.069 10.429 -14.183 1.00 0.00 H new ATOM 0 HE2 HIS A 5 17.241 11.874 -12.447 1.00 0.00 H new ATOM 88 N ALA A 6 11.969 13.549 -9.300 1.00 0.00 N ATOM 89 CA ALA A 6 12.452 13.726 -7.934 1.00 0.00 C ATOM 90 C ALA A 6 12.240 12.462 -7.110 1.00 0.00 C ATOM 91 O ALA A 6 11.107 12.090 -6.803 1.00 0.00 O ATOM 92 CB ALA A 6 11.759 14.908 -7.274 1.00 0.00 C ATOM 0 H ALA A 6 11.180 14.145 -9.550 1.00 0.00 H new ATOM 0 HA ALA A 6 13.522 13.927 -7.979 1.00 0.00 H new ATOM 0 HB1 ALA A 6 12.131 15.026 -6.256 1.00 0.00 H new ATOM 0 HB2 ALA A 6 11.965 15.815 -7.843 1.00 0.00 H new ATOM 0 HB3 ALA A 6 10.684 14.732 -7.249 1.00 0.00 H new ATOM 98 N ARG A 7 13.339 11.804 -6.753 1.00 0.00 N ATOM 99 CA ARG A 7 13.276 10.579 -5.965 1.00 0.00 C ATOM 100 C ARG A 7 13.322 10.890 -4.472 1.00 0.00 C ATOM 101 O ARG A 7 13.201 9.991 -3.638 1.00 0.00 O ATOM 102 CB ARG A 7 14.428 9.647 -6.340 1.00 0.00 C ATOM 103 CG ARG A 7 15.799 10.279 -6.170 1.00 0.00 C ATOM 104 CD ARG A 7 16.909 9.323 -6.574 1.00 0.00 C ATOM 105 NE ARG A 7 16.800 8.918 -7.973 1.00 0.00 N ATOM 106 CZ ARG A 7 17.551 7.972 -8.525 1.00 0.00 C ATOM 107 NH1 ARG A 7 18.455 7.329 -7.797 1.00 0.00 N ATOM 108 NH2 ARG A 7 17.399 7.665 -9.807 1.00 0.00 N ATOM 0 H ARG A 7 14.284 12.099 -6.997 1.00 0.00 H new ATOM 0 HA ARG A 7 12.331 10.083 -6.185 1.00 0.00 H new ATOM 0 HB2 ARG A 7 14.372 8.748 -5.726 1.00 0.00 H new ATOM 0 HB3 ARG A 7 14.308 9.333 -7.377 1.00 0.00 H new ATOM 0 HG2 ARG A 7 15.860 11.185 -6.774 1.00 0.00 H new ATOM 0 HG3 ARG A 7 15.936 10.578 -5.131 1.00 0.00 H new ATOM 0 HD2 ARG A 7 17.876 9.799 -6.409 1.00 0.00 H new ATOM 0 HD3 ARG A 7 16.876 8.439 -5.937 1.00 0.00 H new ATOM 0 HE ARG A 7 16.109 9.388 -8.558 1.00 0.00 H new ATOM 0 HH11 ARG A 7 18.574 7.561 -6.811 1.00 0.00 H new ATOM 0 HH12 ARG A 7 19.030 6.603 -8.223 1.00 0.00 H new ATOM 0 HH21 ARG A 7 16.704 8.156 -10.370 1.00 0.00 H new ATOM 0 HH22 ARG A 7 17.977 6.938 -10.229 1.00 0.00 H new ATOM 122 N SER A 8 13.500 12.165 -4.142 1.00 0.00 N ATOM 123 CA SER A 8 13.562 12.592 -2.748 1.00 0.00 C ATOM 124 C SER A 8 12.590 13.737 -2.483 1.00 0.00 C ATOM 125 O SER A 8 12.817 14.868 -2.913 1.00 0.00 O ATOM 126 CB SER A 8 14.985 13.024 -2.390 1.00 0.00 C ATOM 127 OG SER A 8 15.065 13.448 -1.040 1.00 0.00 O ATOM 0 H SER A 8 13.604 12.920 -4.820 1.00 0.00 H new ATOM 0 HA SER A 8 13.276 11.746 -2.123 1.00 0.00 H new ATOM 0 HB2 SER A 8 15.673 12.195 -2.555 1.00 0.00 H new ATOM 0 HB3 SER A 8 15.299 13.834 -3.048 1.00 0.00 H new ATOM 0 HG SER A 8 15.985 13.717 -0.836 1.00 0.00 H new ATOM 133 N THR A 9 11.506 13.434 -1.772 1.00 0.00 N ATOM 134 CA THR A 9 10.498 14.438 -1.444 1.00 0.00 C ATOM 135 C THR A 9 9.490 13.895 -0.437 1.00 0.00 C ATOM 136 O THR A 9 9.316 12.683 -0.308 1.00 0.00 O ATOM 137 CB THR A 9 9.745 14.915 -2.702 1.00 0.00 C ATOM 138 OG1 THR A 9 8.775 15.908 -2.345 1.00 0.00 O ATOM 139 CG2 THR A 9 9.052 13.752 -3.395 1.00 0.00 C ATOM 0 H THR A 9 11.304 12.501 -1.412 1.00 0.00 H new ATOM 0 HA THR A 9 11.027 15.284 -1.006 1.00 0.00 H new ATOM 0 HB THR A 9 10.472 15.346 -3.390 1.00 0.00 H new ATOM 0 HG1 THR A 9 8.302 16.207 -3.149 1.00 0.00 H new ATOM 0 HG21 THR A 9 8.528 14.115 -4.279 1.00 0.00 H new ATOM 0 HG22 THR A 9 9.794 13.011 -3.692 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.336 13.295 -2.711 1.00 0.00 H new ATOM 147 N ARG A 10 8.828 14.801 0.274 1.00 0.00 N ATOM 148 CA ARG A 10 7.834 14.418 1.270 1.00 0.00 C ATOM 149 C ARG A 10 6.696 15.434 1.317 1.00 0.00 C ATOM 150 O ARG A 10 6.919 16.636 1.171 1.00 0.00 O ATOM 151 CB ARG A 10 8.479 14.285 2.656 1.00 0.00 C ATOM 152 CG ARG A 10 8.990 15.598 3.236 1.00 0.00 C ATOM 153 CD ARG A 10 10.270 16.057 2.555 1.00 0.00 C ATOM 154 NE ARG A 10 10.778 17.301 3.130 1.00 0.00 N ATOM 155 CZ ARG A 10 11.837 17.955 2.659 1.00 0.00 C ATOM 156 NH1 ARG A 10 12.499 17.485 1.609 1.00 0.00 N ATOM 157 NH2 ARG A 10 12.234 19.079 3.237 1.00 0.00 N ATOM 0 H ARG A 10 8.962 15.808 0.179 1.00 0.00 H new ATOM 0 HA ARG A 10 7.424 13.450 0.981 1.00 0.00 H new ATOM 0 HB2 ARG A 10 7.750 13.856 3.344 1.00 0.00 H new ATOM 0 HB3 ARG A 10 9.309 13.582 2.592 1.00 0.00 H new ATOM 0 HG2 ARG A 10 8.224 16.366 3.126 1.00 0.00 H new ATOM 0 HG3 ARG A 10 9.170 15.478 4.304 1.00 0.00 H new ATOM 0 HD2 ARG A 10 11.028 15.279 2.645 1.00 0.00 H new ATOM 0 HD3 ARG A 10 10.084 16.199 1.490 1.00 0.00 H new ATOM 0 HE ARG A 10 10.293 17.690 3.939 1.00 0.00 H new ATOM 0 HH11 ARG A 10 12.196 16.620 1.161 1.00 0.00 H new ATOM 0 HH12 ARG A 10 13.310 17.989 1.250 1.00 0.00 H new ATOM 0 HH21 ARG A 10 11.728 19.444 4.044 1.00 0.00 H new ATOM 0 HH22 ARG A 10 13.046 19.579 2.875 1.00 0.00 H new ATOM 171 N LYS A 11 5.477 14.942 1.519 1.00 0.00 N ATOM 172 CA LYS A 11 4.305 15.807 1.584 1.00 0.00 C ATOM 173 C LYS A 11 3.125 15.075 2.218 1.00 0.00 C ATOM 174 O LYS A 11 2.971 13.866 2.045 1.00 0.00 O ATOM 175 CB LYS A 11 3.923 16.294 0.184 1.00 0.00 C ATOM 176 CG LYS A 11 2.820 17.343 0.179 1.00 0.00 C ATOM 177 CD LYS A 11 3.291 18.656 0.788 1.00 0.00 C ATOM 178 CE LYS A 11 4.290 19.368 -0.112 1.00 0.00 C ATOM 179 NZ LYS A 11 4.811 20.614 0.513 1.00 0.00 N ATOM 0 H LYS A 11 5.276 13.949 1.640 1.00 0.00 H new ATOM 0 HA LYS A 11 4.555 16.668 2.204 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.807 16.708 -0.301 1.00 0.00 H new ATOM 0 HB3 LYS A 11 3.602 15.440 -0.413 1.00 0.00 H new ATOM 0 HG2 LYS A 11 2.486 17.515 -0.844 1.00 0.00 H new ATOM 0 HG3 LYS A 11 1.961 16.971 0.737 1.00 0.00 H new ATOM 0 HD2 LYS A 11 2.433 19.304 0.963 1.00 0.00 H new ATOM 0 HD3 LYS A 11 3.748 18.464 1.759 1.00 0.00 H new ATOM 0 HE2 LYS A 11 5.121 18.698 -0.333 1.00 0.00 H new ATOM 0 HE3 LYS A 11 3.814 19.610 -1.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 5.488 21.069 -0.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 4.022 21.264 0.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 5.288 20.381 1.407 1.00 0.00 H new ATOM 193 N LYS A 12 2.301 15.821 2.951 1.00 0.00 N ATOM 194 CA LYS A 12 1.126 15.259 3.617 1.00 0.00 C ATOM 195 C LYS A 12 1.520 14.243 4.684 1.00 0.00 C ATOM 196 O LYS A 12 2.573 13.610 4.601 1.00 0.00 O ATOM 197 CB LYS A 12 0.189 14.605 2.596 1.00 0.00 C ATOM 198 CG LYS A 12 -0.427 15.593 1.615 1.00 0.00 C ATOM 199 CD LYS A 12 -1.380 14.907 0.647 1.00 0.00 C ATOM 200 CE LYS A 12 -0.642 13.975 -0.302 1.00 0.00 C ATOM 201 NZ LYS A 12 0.352 14.704 -1.137 1.00 0.00 N ATOM 0 H LYS A 12 2.426 16.822 3.100 1.00 0.00 H new ATOM 0 HA LYS A 12 0.604 16.081 4.106 1.00 0.00 H new ATOM 0 HB2 LYS A 12 0.743 13.850 2.039 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -0.610 14.087 3.127 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -0.962 16.366 2.166 1.00 0.00 H new ATOM 0 HG3 LYS A 12 0.365 16.091 1.055 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -2.124 14.341 1.208 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -1.919 15.660 0.072 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -0.134 13.200 0.272 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -1.361 13.473 -0.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 0.621 14.114 -1.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -0.066 15.593 -1.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 1.196 14.914 -0.567 1.00 0.00 H new ATOM 215 N ARG A 13 0.665 14.096 5.691 1.00 0.00 N ATOM 216 CA ARG A 13 0.912 13.154 6.775 1.00 0.00 C ATOM 217 C ARG A 13 0.114 11.874 6.561 1.00 0.00 C ATOM 218 O ARG A 13 0.253 10.908 7.312 1.00 0.00 O ATOM 219 CB ARG A 13 0.548 13.780 8.121 1.00 0.00 C ATOM 220 CG ARG A 13 1.470 14.916 8.528 1.00 0.00 C ATOM 221 CD ARG A 13 1.069 15.502 9.872 1.00 0.00 C ATOM 222 NE ARG A 13 -0.222 16.182 9.810 1.00 0.00 N ATOM 223 CZ ARG A 13 -0.962 16.459 10.879 1.00 0.00 C ATOM 224 NH1 ARG A 13 -0.555 16.091 12.086 1.00 0.00 N ATOM 225 NH2 ARG A 13 -2.114 17.100 10.740 1.00 0.00 N ATOM 0 H ARG A 13 -0.207 14.619 5.778 1.00 0.00 H new ATOM 0 HA ARG A 13 1.974 12.908 6.779 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -0.476 14.152 8.075 1.00 0.00 H new ATOM 0 HB3 ARG A 13 0.573 13.008 8.891 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.496 14.553 8.580 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.446 15.696 7.767 1.00 0.00 H new ATOM 0 HD2 ARG A 13 1.024 14.706 10.615 1.00 0.00 H new ATOM 0 HD3 ARG A 13 1.833 16.205 10.203 1.00 0.00 H new ATOM 0 HE ARG A 13 -0.576 16.460 8.895 1.00 0.00 H new ATOM 0 HH11 ARG A 13 0.329 15.594 12.197 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -1.125 16.305 12.904 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -2.433 17.381 9.813 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -2.682 17.312 11.560 1.00 0.00 H new ATOM 239 N CYS A 14 -0.724 11.879 5.530 1.00 0.00 N ATOM 240 CA CYS A 14 -1.547 10.721 5.202 1.00 0.00 C ATOM 241 C CYS A 14 -1.624 10.509 3.686 1.00 0.00 C ATOM 242 O CYS A 14 -2.715 10.367 3.133 1.00 0.00 O ATOM 243 CB CYS A 14 -2.955 10.902 5.774 1.00 0.00 C ATOM 244 SG CYS A 14 -3.004 11.065 7.574 1.00 0.00 S ATOM 0 H CYS A 14 -0.851 12.675 4.905 1.00 0.00 H new ATOM 0 HA CYS A 14 -1.085 9.840 5.647 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -3.406 11.788 5.327 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -3.568 10.050 5.480 1.00 0.00 H new ATOM 0 HG CYS A 14 -4.235 11.215 7.963 1.00 0.00 H new ATOM 250 N PRO A 15 -0.466 10.481 2.990 1.00 0.00 N ATOM 251 CA PRO A 15 -0.427 10.287 1.543 1.00 0.00 C ATOM 252 C PRO A 15 -0.455 8.822 1.149 1.00 0.00 C ATOM 253 O PRO A 15 0.007 8.442 0.073 1.00 0.00 O ATOM 254 CB PRO A 15 0.905 10.908 1.156 1.00 0.00 C ATOM 255 CG PRO A 15 1.788 10.701 2.339 1.00 0.00 C ATOM 256 CD PRO A 15 0.891 10.642 3.551 1.00 0.00 C ATOM 0 HA PRO A 15 -1.292 10.728 1.047 1.00 0.00 H new ATOM 0 HB2 PRO A 15 1.319 10.432 0.267 1.00 0.00 H new ATOM 0 HB3 PRO A 15 0.794 11.968 0.927 1.00 0.00 H new ATOM 0 HG2 PRO A 15 2.360 9.779 2.237 1.00 0.00 H new ATOM 0 HG3 PRO A 15 2.508 11.514 2.431 1.00 0.00 H new ATOM 0 HD2 PRO A 15 1.155 9.808 4.201 1.00 0.00 H new ATOM 0 HD3 PRO A 15 0.970 11.550 4.149 1.00 0.00 H new ATOM 264 N TYR A 16 -1.005 8.010 2.029 1.00 0.00 N ATOM 265 CA TYR A 16 -1.104 6.582 1.796 1.00 0.00 C ATOM 266 C TYR A 16 -2.323 6.255 0.941 1.00 0.00 C ATOM 267 O TYR A 16 -3.275 7.032 0.874 1.00 0.00 O ATOM 268 CB TYR A 16 -1.171 5.830 3.127 1.00 0.00 C ATOM 269 CG TYR A 16 -2.116 6.436 4.145 1.00 0.00 C ATOM 270 CD1 TYR A 16 -3.486 6.491 3.909 1.00 0.00 C ATOM 271 CD2 TYR A 16 -1.638 6.942 5.347 1.00 0.00 C ATOM 272 CE1 TYR A 16 -4.349 7.033 4.843 1.00 0.00 C ATOM 273 CE2 TYR A 16 -2.495 7.486 6.285 1.00 0.00 C ATOM 274 CZ TYR A 16 -3.849 7.529 6.027 1.00 0.00 C ATOM 275 OH TYR A 16 -4.706 8.069 6.960 1.00 0.00 O ATOM 0 H TYR A 16 -1.394 8.318 2.920 1.00 0.00 H new ATOM 0 HA TYR A 16 -0.213 6.262 1.256 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -1.476 4.802 2.934 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -0.171 5.790 3.558 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -3.881 6.104 2.981 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -0.578 6.910 5.552 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -5.410 7.067 4.645 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -2.107 7.875 7.215 1.00 0.00 H new ATOM 0 HH TYR A 16 -4.366 8.941 7.250 1.00 0.00 H new ATOM 285 N THR A 17 -2.281 5.103 0.284 1.00 0.00 N ATOM 286 CA THR A 17 -3.380 4.669 -0.571 1.00 0.00 C ATOM 287 C THR A 17 -4.437 3.916 0.231 1.00 0.00 C ATOM 288 O THR A 17 -4.197 3.521 1.373 1.00 0.00 O ATOM 289 CB THR A 17 -2.881 3.775 -1.723 1.00 0.00 C ATOM 290 OG1 THR A 17 -3.973 3.426 -2.583 1.00 0.00 O ATOM 291 CG2 THR A 17 -2.227 2.509 -1.190 1.00 0.00 C ATOM 0 H THR A 17 -1.497 4.451 0.326 1.00 0.00 H new ATOM 0 HA THR A 17 -3.826 5.569 -0.994 1.00 0.00 H new ATOM 0 HB THR A 17 -2.137 4.337 -2.288 1.00 0.00 H new ATOM 0 HG1 THR A 17 -3.646 2.859 -3.313 1.00 0.00 H new ATOM 0 HG21 THR A 17 -1.884 1.897 -2.025 1.00 0.00 H new ATOM 0 HG22 THR A 17 -1.377 2.775 -0.562 1.00 0.00 H new ATOM 0 HG23 THR A 17 -2.951 1.946 -0.601 1.00 0.00 H new ATOM 299 N LYS A 18 -5.605 3.720 -0.374 1.00 0.00 N ATOM 300 CA LYS A 18 -6.707 3.024 0.283 1.00 0.00 C ATOM 301 C LYS A 18 -6.297 1.622 0.726 1.00 0.00 C ATOM 302 O LYS A 18 -6.761 1.127 1.753 1.00 0.00 O ATOM 303 CB LYS A 18 -7.917 2.945 -0.656 1.00 0.00 C ATOM 304 CG LYS A 18 -9.143 2.290 -0.033 1.00 0.00 C ATOM 305 CD LYS A 18 -9.176 0.792 -0.292 1.00 0.00 C ATOM 306 CE LYS A 18 -10.390 0.143 0.351 1.00 0.00 C ATOM 307 NZ LYS A 18 -11.665 0.667 -0.214 1.00 0.00 N ATOM 0 H LYS A 18 -5.813 4.035 -1.322 1.00 0.00 H new ATOM 0 HA LYS A 18 -6.977 3.592 1.173 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -8.180 3.952 -0.978 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -7.635 2.388 -1.550 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -9.146 2.473 1.041 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -10.045 2.749 -0.437 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -9.190 0.608 -1.366 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.267 0.334 0.099 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.345 -0.936 0.205 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -10.370 0.320 1.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -12.453 0.056 0.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -11.827 1.634 0.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -11.606 0.677 -1.252 1.00 0.00 H new ATOM 321 N TYR A 19 -5.430 0.984 -0.054 1.00 0.00 N ATOM 322 CA TYR A 19 -4.970 -0.364 0.259 1.00 0.00 C ATOM 323 C TYR A 19 -4.075 -0.371 1.495 1.00 0.00 C ATOM 324 O TYR A 19 -4.290 -1.152 2.425 1.00 0.00 O ATOM 325 CB TYR A 19 -4.216 -0.955 -0.932 1.00 0.00 C ATOM 326 CG TYR A 19 -4.297 -2.462 -1.007 1.00 0.00 C ATOM 327 CD1 TYR A 19 -5.413 -3.085 -1.546 1.00 0.00 C ATOM 328 CD2 TYR A 19 -3.261 -3.260 -0.539 1.00 0.00 C ATOM 329 CE1 TYR A 19 -5.497 -4.462 -1.619 1.00 0.00 C ATOM 330 CE2 TYR A 19 -3.336 -4.638 -0.607 1.00 0.00 C ATOM 331 CZ TYR A 19 -4.456 -5.234 -1.147 1.00 0.00 C ATOM 332 OH TYR A 19 -4.535 -6.607 -1.218 1.00 0.00 O ATOM 0 H TYR A 19 -5.032 1.378 -0.906 1.00 0.00 H new ATOM 0 HA TYR A 19 -5.847 -0.976 0.470 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -4.617 -0.531 -1.853 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -3.169 -0.657 -0.873 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -6.230 -2.483 -1.915 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -2.383 -2.796 -0.115 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -6.372 -4.931 -2.043 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -2.522 -5.245 -0.239 1.00 0.00 H new ATOM 0 HH TYR A 19 -3.719 -7.001 -0.844 1.00 0.00 H new ATOM 342 N GLN A 20 -3.071 0.499 1.500 1.00 0.00 N ATOM 343 CA GLN A 20 -2.140 0.590 2.621 1.00 0.00 C ATOM 344 C GLN A 20 -2.876 0.827 3.935 1.00 0.00 C ATOM 345 O GLN A 20 -2.585 0.183 4.942 1.00 0.00 O ATOM 346 CB GLN A 20 -1.124 1.708 2.383 1.00 0.00 C ATOM 347 CG GLN A 20 -0.091 1.374 1.319 1.00 0.00 C ATOM 348 CD GLN A 20 0.897 2.502 1.082 1.00 0.00 C ATOM 349 OE1 GLN A 20 0.446 3.737 1.274 1.00 0.00 O flip ATOM 350 NE2 GLN A 20 2.052 2.266 0.729 1.00 0.00 N flip ATOM 0 H GLN A 20 -2.880 1.152 0.740 1.00 0.00 H new ATOM 0 HA GLN A 20 -1.613 -0.362 2.692 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -1.655 2.614 2.091 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -0.611 1.927 3.320 1.00 0.00 H new ATOM 0 HG2 GLN A 20 0.453 0.477 1.616 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -0.601 1.142 0.384 1.00 0.00 H new ATOM 0 HE21 GLN A 20 2.357 1.302 0.593 1.00 0.00 H new ATOM 0 HE22 GLN A 20 2.704 3.034 0.572 1.00 0.00 H new ATOM 359 N THR A 21 -3.830 1.750 3.919 1.00 0.00 N ATOM 360 CA THR A 21 -4.600 2.070 5.116 1.00 0.00 C ATOM 361 C THR A 21 -5.613 0.973 5.435 1.00 0.00 C ATOM 362 O THR A 21 -6.039 0.826 6.579 1.00 0.00 O ATOM 363 CB THR A 21 -5.342 3.411 4.964 1.00 0.00 C ATOM 364 OG1 THR A 21 -6.050 3.721 6.170 1.00 0.00 O ATOM 365 CG2 THR A 21 -6.317 3.359 3.798 1.00 0.00 C ATOM 0 H THR A 21 -4.089 2.289 3.093 1.00 0.00 H new ATOM 0 HA THR A 21 -3.887 2.148 5.937 1.00 0.00 H new ATOM 0 HB THR A 21 -4.604 4.189 4.768 1.00 0.00 H new ATOM 0 HG1 THR A 21 -6.517 4.576 6.064 1.00 0.00 H new ATOM 0 HG21 THR A 21 -6.830 4.317 3.710 1.00 0.00 H new ATOM 0 HG22 THR A 21 -5.772 3.153 2.877 1.00 0.00 H new ATOM 0 HG23 THR A 21 -7.049 2.570 3.971 1.00 0.00 H new ATOM 373 N LEU A 22 -5.991 0.206 4.416 1.00 0.00 N ATOM 374 CA LEU A 22 -6.955 -0.879 4.581 1.00 0.00 C ATOM 375 C LEU A 22 -6.439 -1.931 5.565 1.00 0.00 C ATOM 376 O LEU A 22 -7.206 -2.484 6.352 1.00 0.00 O ATOM 377 CB LEU A 22 -7.264 -1.508 3.213 1.00 0.00 C ATOM 378 CG LEU A 22 -7.312 -3.038 3.167 1.00 0.00 C ATOM 379 CD1 LEU A 22 -8.580 -3.558 3.827 1.00 0.00 C ATOM 380 CD2 LEU A 22 -7.226 -3.526 1.728 1.00 0.00 C ATOM 0 H LEU A 22 -5.643 0.316 3.464 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.876 -0.470 4.997 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.225 -1.125 2.869 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.512 -1.167 2.502 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.456 -3.424 3.720 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -8.593 -4.647 3.783 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.606 -3.237 4.868 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.451 -3.163 3.304 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.261 -4.615 1.710 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.065 -3.127 1.158 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.290 -3.186 1.284 1.00 0.00 H new ATOM 392 N GLU A 23 -5.140 -2.202 5.516 1.00 0.00 N ATOM 393 CA GLU A 23 -4.531 -3.191 6.403 1.00 0.00 C ATOM 394 C GLU A 23 -4.238 -2.592 7.779 1.00 0.00 C ATOM 395 O GLU A 23 -4.549 -3.192 8.813 1.00 0.00 O ATOM 396 CB GLU A 23 -3.245 -3.734 5.772 1.00 0.00 C ATOM 397 CG GLU A 23 -3.495 -4.747 4.668 1.00 0.00 C ATOM 398 CD GLU A 23 -4.275 -5.956 5.149 1.00 0.00 C ATOM 399 OE1 GLU A 23 -3.643 -6.914 5.640 1.00 0.00 O ATOM 400 OE2 GLU A 23 -5.519 -5.944 5.034 1.00 0.00 O ATOM 0 H GLU A 23 -4.488 -1.753 4.873 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.236 -4.011 6.540 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.668 -2.902 5.368 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.636 -4.197 6.548 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -4.041 -4.266 3.856 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.540 -5.075 4.259 1.00 0.00 H new ATOM 407 N LEU A 24 -3.649 -1.401 7.781 1.00 0.00 N ATOM 408 CA LEU A 24 -3.305 -0.718 9.023 1.00 0.00 C ATOM 409 C LEU A 24 -4.542 -0.418 9.867 1.00 0.00 C ATOM 410 O LEU A 24 -4.467 -0.393 11.094 1.00 0.00 O ATOM 411 CB LEU A 24 -2.551 0.578 8.723 1.00 0.00 C ATOM 412 CG LEU A 24 -1.036 0.427 8.557 1.00 0.00 C ATOM 413 CD1 LEU A 24 -0.707 -0.510 7.403 1.00 0.00 C ATOM 414 CD2 LEU A 24 -0.390 1.787 8.341 1.00 0.00 C ATOM 0 H LEU A 24 -3.400 -0.888 6.935 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.664 -1.386 9.598 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.959 1.014 7.811 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.743 1.286 9.529 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.634 -0.009 9.471 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.375 -0.601 7.305 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.138 -1.492 7.598 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.122 -0.109 6.479 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.687 1.664 8.225 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.802 2.247 7.443 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.591 2.426 9.201 1.00 0.00 H new ATOM 426 N GLU A 25 -5.679 -0.194 9.211 1.00 0.00 N ATOM 427 CA GLU A 25 -6.917 0.109 9.926 1.00 0.00 C ATOM 428 C GLU A 25 -7.481 -1.142 10.591 1.00 0.00 C ATOM 429 O GLU A 25 -8.135 -1.059 11.631 1.00 0.00 O ATOM 430 CB GLU A 25 -7.958 0.718 8.982 1.00 0.00 C ATOM 431 CG GLU A 25 -8.503 -0.259 7.953 1.00 0.00 C ATOM 432 CD GLU A 25 -9.643 0.324 7.142 1.00 0.00 C ATOM 433 OE1 GLU A 25 -10.807 0.196 7.576 1.00 0.00 O ATOM 434 OE2 GLU A 25 -9.372 0.911 6.073 1.00 0.00 O ATOM 0 H GLU A 25 -5.769 -0.216 8.195 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.683 0.839 10.701 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.787 1.107 9.573 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.511 1.566 8.463 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.699 -0.558 7.280 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.847 -1.161 8.460 1.00 0.00 H new ATOM 441 N LYS A 26 -7.226 -2.299 9.986 1.00 0.00 N ATOM 442 CA LYS A 26 -7.706 -3.564 10.530 1.00 0.00 C ATOM 443 C LYS A 26 -7.125 -3.807 11.917 1.00 0.00 C ATOM 444 O LYS A 26 -7.837 -4.212 12.837 1.00 0.00 O ATOM 445 CB LYS A 26 -7.340 -4.724 9.600 1.00 0.00 C ATOM 446 CG LYS A 26 -8.230 -4.827 8.372 1.00 0.00 C ATOM 447 CD LYS A 26 -7.882 -6.046 7.532 1.00 0.00 C ATOM 448 CE LYS A 26 -8.864 -6.234 6.388 1.00 0.00 C ATOM 449 NZ LYS A 26 -8.546 -7.439 5.572 1.00 0.00 N ATOM 0 H LYS A 26 -6.691 -2.386 9.122 1.00 0.00 H new ATOM 0 HA LYS A 26 -8.792 -3.507 10.610 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -6.305 -4.608 9.279 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -7.397 -5.658 10.159 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -9.274 -4.883 8.681 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -8.124 -3.926 7.768 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -6.873 -5.938 7.133 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -7.882 -6.935 8.162 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -9.874 -6.323 6.788 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -8.851 -5.350 5.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -9.240 -7.530 4.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -7.592 -7.343 5.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -8.584 -8.286 6.174 1.00 0.00 H new ATOM 463 N GLU A 27 -5.827 -3.559 12.063 1.00 0.00 N ATOM 464 CA GLU A 27 -5.156 -3.751 13.345 1.00 0.00 C ATOM 465 C GLU A 27 -5.336 -2.529 14.242 1.00 0.00 C ATOM 466 O GLU A 27 -5.387 -2.649 15.464 1.00 0.00 O ATOM 467 CB GLU A 27 -3.666 -4.027 13.133 1.00 0.00 C ATOM 468 CG GLU A 27 -3.378 -5.008 12.006 1.00 0.00 C ATOM 469 CD GLU A 27 -4.001 -6.372 12.237 1.00 0.00 C ATOM 470 OE1 GLU A 27 -5.197 -6.539 11.921 1.00 0.00 O ATOM 471 OE2 GLU A 27 -3.291 -7.272 12.730 1.00 0.00 O ATOM 0 H GLU A 27 -5.221 -3.226 11.313 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.610 -4.612 13.836 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.158 -3.086 12.922 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.243 -4.417 14.059 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.753 -4.597 11.069 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.299 -5.121 11.896 1.00 0.00 H new ATOM 478 N PHE A 28 -5.437 -1.357 13.622 1.00 0.00 N ATOM 479 CA PHE A 28 -5.616 -0.103 14.351 1.00 0.00 C ATOM 480 C PHE A 28 -6.758 -0.211 15.359 1.00 0.00 C ATOM 481 O PHE A 28 -6.818 0.545 16.330 1.00 0.00 O ATOM 482 CB PHE A 28 -5.892 1.042 13.370 1.00 0.00 C ATOM 483 CG PHE A 28 -6.037 2.387 14.028 1.00 0.00 C ATOM 484 CD1 PHE A 28 -4.918 3.136 14.360 1.00 0.00 C ATOM 485 CD2 PHE A 28 -7.292 2.904 14.309 1.00 0.00 C ATOM 486 CE1 PHE A 28 -5.050 4.375 14.961 1.00 0.00 C ATOM 487 CE2 PHE A 28 -7.429 4.141 14.910 1.00 0.00 C ATOM 488 CZ PHE A 28 -6.307 4.876 15.237 1.00 0.00 C ATOM 0 H PHE A 28 -5.398 -1.248 12.609 1.00 0.00 H new ATOM 0 HA PHE A 28 -4.696 0.105 14.898 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -5.080 1.089 12.644 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -6.803 0.820 12.815 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -3.933 2.748 14.147 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -8.173 2.333 14.055 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -4.171 4.950 15.214 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -8.413 4.532 15.124 1.00 0.00 H new ATOM 0 HZ PHE A 28 -6.412 5.842 15.708 1.00 0.00 H new ATOM 498 N LEU A 29 -7.661 -1.156 15.123 1.00 0.00 N ATOM 499 CA LEU A 29 -8.813 -1.349 15.992 1.00 0.00 C ATOM 500 C LEU A 29 -8.384 -1.723 17.401 1.00 0.00 C ATOM 501 O LEU A 29 -8.654 -1.002 18.361 1.00 0.00 O ATOM 502 CB LEU A 29 -9.729 -2.435 15.424 1.00 0.00 C ATOM 503 CG LEU A 29 -10.022 -2.319 13.926 1.00 0.00 C ATOM 504 CD1 LEU A 29 -10.950 -3.435 13.473 1.00 0.00 C ATOM 505 CD2 LEU A 29 -10.623 -0.961 13.600 1.00 0.00 C ATOM 0 H LEU A 29 -7.616 -1.801 14.334 1.00 0.00 H new ATOM 0 HA LEU A 29 -9.357 -0.406 16.039 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -9.276 -3.408 15.616 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -10.674 -2.411 15.966 1.00 0.00 H new ATOM 0 HG LEU A 29 -9.080 -2.416 13.386 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -11.146 -3.335 12.405 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -10.481 -4.400 13.667 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -11.890 -3.372 14.022 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -10.824 -0.899 12.530 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -11.554 -0.833 14.152 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -9.923 -0.176 13.884 1.00 0.00 H new ATOM 517 N PHE A 30 -7.717 -2.855 17.510 1.00 0.00 N ATOM 518 CA PHE A 30 -7.248 -3.345 18.799 1.00 0.00 C ATOM 519 C PHE A 30 -5.741 -3.177 18.938 1.00 0.00 C ATOM 520 O PHE A 30 -5.258 -2.574 19.897 1.00 0.00 O ATOM 521 CB PHE A 30 -7.634 -4.818 18.974 1.00 0.00 C ATOM 522 CG PHE A 30 -7.852 -5.227 20.406 1.00 0.00 C ATOM 523 CD1 PHE A 30 -8.676 -4.484 21.237 1.00 0.00 C ATOM 524 CD2 PHE A 30 -7.239 -6.361 20.917 1.00 0.00 C ATOM 525 CE1 PHE A 30 -8.883 -4.862 22.549 1.00 0.00 C ATOM 526 CE2 PHE A 30 -7.443 -6.743 22.230 1.00 0.00 C ATOM 527 CZ PHE A 30 -8.266 -5.992 23.047 1.00 0.00 C ATOM 0 H PHE A 30 -7.485 -3.458 16.720 1.00 0.00 H new ATOM 0 HA PHE A 30 -7.726 -2.754 19.580 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -8.545 -5.014 18.408 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -6.851 -5.442 18.544 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -9.162 -3.599 20.854 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -6.595 -6.952 20.283 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -9.527 -4.274 23.185 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -6.959 -7.628 22.617 1.00 0.00 H new ATOM 0 HZ PHE A 30 -8.426 -6.288 24.073 1.00 0.00 H new ATOM 537 N ASN A 31 -5.017 -3.701 17.954 1.00 0.00 N ATOM 538 CA ASN A 31 -3.551 -3.652 17.928 1.00 0.00 C ATOM 539 C ASN A 31 -2.935 -3.830 19.317 1.00 0.00 C ATOM 540 O ASN A 31 -1.846 -3.322 19.585 1.00 0.00 O ATOM 541 CB ASN A 31 -3.065 -2.336 17.321 1.00 0.00 C ATOM 542 CG ASN A 31 -3.618 -1.123 18.043 1.00 0.00 C ATOM 543 OD1 ASN A 31 -2.999 -0.602 18.971 1.00 0.00 O ATOM 544 ND2 ASN A 31 -4.791 -0.671 17.622 1.00 0.00 N ATOM 0 H ASN A 31 -5.427 -4.174 17.148 1.00 0.00 H new ATOM 0 HA ASN A 31 -3.224 -4.487 17.308 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -1.976 -2.307 17.350 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -3.357 -2.294 16.272 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -5.216 0.140 18.071 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -5.268 -1.134 16.849 1.00 0.00 H new ATOM 551 N MET A 32 -3.621 -4.558 20.193 1.00 0.00 N ATOM 552 CA MET A 32 -3.124 -4.789 21.538 1.00 0.00 C ATOM 553 C MET A 32 -2.026 -5.844 21.532 1.00 0.00 C ATOM 554 O MET A 32 -1.156 -5.859 22.403 1.00 0.00 O ATOM 555 CB MET A 32 -4.270 -5.225 22.448 1.00 0.00 C ATOM 556 CG MET A 32 -5.230 -4.100 22.799 1.00 0.00 C ATOM 557 SD MET A 32 -4.420 -2.739 23.663 1.00 0.00 S ATOM 558 CE MET A 32 -3.815 -3.578 25.126 1.00 0.00 C ATOM 0 H MET A 32 -4.520 -4.996 19.993 1.00 0.00 H new ATOM 0 HA MET A 32 -2.702 -3.858 21.917 1.00 0.00 H new ATOM 0 HB2 MET A 32 -4.825 -6.026 21.961 1.00 0.00 H new ATOM 0 HB3 MET A 32 -3.856 -5.638 23.368 1.00 0.00 H new ATOM 0 HG2 MET A 32 -5.691 -3.723 21.886 1.00 0.00 H new ATOM 0 HG3 MET A 32 -6.033 -4.494 23.422 1.00 0.00 H new ATOM 0 HE1 MET A 32 -3.598 -2.844 25.902 1.00 0.00 H new ATOM 0 HE2 MET A 32 -4.573 -4.274 25.486 1.00 0.00 H new ATOM 0 HE3 MET A 32 -2.906 -4.127 24.881 1.00 0.00 H new ATOM 568 N TYR A 33 -2.076 -6.724 20.538 1.00 0.00 N ATOM 569 CA TYR A 33 -1.095 -7.788 20.397 1.00 0.00 C ATOM 570 C TYR A 33 -1.279 -8.513 19.070 1.00 0.00 C ATOM 571 O TYR A 33 -2.404 -8.710 18.610 1.00 0.00 O ATOM 572 CB TYR A 33 -1.209 -8.778 21.554 1.00 0.00 C ATOM 573 CG TYR A 33 -2.626 -9.190 21.886 1.00 0.00 C ATOM 574 CD1 TYR A 33 -3.255 -10.213 21.188 1.00 0.00 C ATOM 575 CD2 TYR A 33 -3.333 -8.562 22.905 1.00 0.00 C ATOM 576 CE1 TYR A 33 -4.547 -10.596 21.492 1.00 0.00 C ATOM 577 CE2 TYR A 33 -4.625 -8.940 23.217 1.00 0.00 C ATOM 578 CZ TYR A 33 -5.227 -9.958 22.507 1.00 0.00 C ATOM 579 OH TYR A 33 -6.514 -10.339 22.816 1.00 0.00 O ATOM 0 H TYR A 33 -2.793 -6.719 19.813 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.102 -7.340 20.416 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -0.632 -9.670 21.311 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -0.755 -8.336 22.441 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -2.725 -10.718 20.394 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -2.864 -7.765 23.463 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -5.022 -11.392 20.937 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -5.160 -8.442 24.012 1.00 0.00 H new ATOM 0 HH TYR A 33 -6.849 -9.790 23.556 1.00 0.00 H new ATOM 589 N LEU A 34 -0.168 -8.910 18.457 1.00 0.00 N ATOM 590 CA LEU A 34 -0.214 -9.610 17.180 1.00 0.00 C ATOM 591 C LEU A 34 0.713 -10.819 17.179 1.00 0.00 C ATOM 592 O LEU A 34 1.473 -11.035 18.123 1.00 0.00 O ATOM 593 CB LEU A 34 0.168 -8.666 16.039 1.00 0.00 C ATOM 594 CG LEU A 34 -0.841 -7.555 15.739 1.00 0.00 C ATOM 595 CD1 LEU A 34 -0.357 -6.705 14.576 1.00 0.00 C ATOM 596 CD2 LEU A 34 -2.213 -8.140 15.434 1.00 0.00 C ATOM 0 H LEU A 34 0.772 -8.759 18.823 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.236 -9.959 17.031 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.128 -8.207 16.276 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.312 -9.257 15.134 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.929 -6.923 16.622 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.084 -5.919 14.373 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.603 -6.255 14.829 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.243 -7.331 13.691 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.914 -7.332 15.224 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.144 -8.796 14.566 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.564 -8.711 16.293 1.00 0.00 H new ATOM 608 N THR A 35 0.643 -11.601 16.108 1.00 0.00 N ATOM 609 CA THR A 35 1.470 -12.794 15.972 1.00 0.00 C ATOM 610 C THR A 35 2.358 -12.709 14.736 1.00 0.00 C ATOM 611 O THR A 35 2.208 -11.804 13.913 1.00 0.00 O ATOM 612 CB THR A 35 0.609 -14.069 15.890 1.00 0.00 C ATOM 613 OG1 THR A 35 1.449 -15.226 15.802 1.00 0.00 O ATOM 614 CG2 THR A 35 -0.321 -14.020 14.686 1.00 0.00 C ATOM 0 H THR A 35 0.020 -11.429 15.319 1.00 0.00 H new ATOM 0 HA THR A 35 2.097 -12.848 16.862 1.00 0.00 H new ATOM 0 HB THR A 35 0.004 -14.128 16.795 1.00 0.00 H new ATOM 0 HG1 THR A 35 0.893 -16.031 15.752 1.00 0.00 H new ATOM 0 HG21 THR A 35 -0.918 -14.931 14.650 1.00 0.00 H new ATOM 0 HG22 THR A 35 -0.981 -13.157 14.771 1.00 0.00 H new ATOM 0 HG23 THR A 35 0.269 -13.937 13.773 1.00 0.00 H new ATOM 622 N ARG A 36 3.281 -13.656 14.610 1.00 0.00 N ATOM 623 CA ARG A 36 4.191 -13.692 13.471 1.00 0.00 C ATOM 624 C ARG A 36 3.416 -13.896 12.175 1.00 0.00 C ATOM 625 O ARG A 36 3.757 -13.326 11.138 1.00 0.00 O ATOM 626 CB ARG A 36 5.219 -14.814 13.654 1.00 0.00 C ATOM 627 CG ARG A 36 6.459 -14.658 12.788 1.00 0.00 C ATOM 628 CD ARG A 36 6.265 -15.269 11.410 1.00 0.00 C ATOM 629 NE ARG A 36 6.048 -16.712 11.476 1.00 0.00 N ATOM 630 CZ ARG A 36 6.047 -17.506 10.409 1.00 0.00 C ATOM 631 NH1 ARG A 36 6.258 -17.000 9.201 1.00 0.00 N ATOM 632 NH2 ARG A 36 5.835 -18.808 10.549 1.00 0.00 N ATOM 0 H ARG A 36 3.419 -14.410 15.283 1.00 0.00 H new ATOM 0 HA ARG A 36 4.715 -12.738 13.414 1.00 0.00 H new ATOM 0 HB2 ARG A 36 5.521 -14.850 14.701 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.745 -15.769 13.425 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.700 -13.600 12.686 1.00 0.00 H new ATOM 0 HG3 ARG A 36 7.308 -15.133 13.280 1.00 0.00 H new ATOM 0 HD2 ARG A 36 5.413 -14.796 10.921 1.00 0.00 H new ATOM 0 HD3 ARG A 36 7.141 -15.062 10.795 1.00 0.00 H new ATOM 0 HE ARG A 36 5.888 -17.134 12.391 1.00 0.00 H new ATOM 0 HH11 ARG A 36 6.422 -16.000 9.089 1.00 0.00 H new ATOM 0 HH12 ARG A 36 6.257 -17.611 8.385 1.00 0.00 H new ATOM 0 HH21 ARG A 36 5.672 -19.201 11.476 1.00 0.00 H new ATOM 0 HH22 ARG A 36 5.835 -19.416 9.730 1.00 0.00 H new ATOM 646 N ASP A 37 2.366 -14.709 12.246 1.00 0.00 N ATOM 647 CA ASP A 37 1.535 -14.997 11.083 1.00 0.00 C ATOM 648 C ASP A 37 0.920 -13.718 10.521 1.00 0.00 C ATOM 649 O ASP A 37 0.784 -13.566 9.307 1.00 0.00 O ATOM 650 CB ASP A 37 0.427 -15.983 11.459 1.00 0.00 C ATOM 651 CG ASP A 37 0.973 -17.300 11.972 1.00 0.00 C ATOM 652 OD1 ASP A 37 1.278 -17.385 13.181 1.00 0.00 O ATOM 653 OD2 ASP A 37 1.096 -18.246 11.167 1.00 0.00 O ATOM 0 H ASP A 37 2.070 -15.181 13.100 1.00 0.00 H new ATOM 0 HA ASP A 37 2.168 -15.442 10.315 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -0.210 -15.535 12.222 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -0.201 -16.168 10.588 1.00 0.00 H new ATOM 658 N ARG A 38 0.552 -12.805 11.412 1.00 0.00 N ATOM 659 CA ARG A 38 -0.050 -11.539 11.008 1.00 0.00 C ATOM 660 C ARG A 38 0.963 -10.649 10.299 1.00 0.00 C ATOM 661 O ARG A 38 0.713 -10.175 9.192 1.00 0.00 O ATOM 662 CB ARG A 38 -0.626 -10.812 12.225 1.00 0.00 C ATOM 663 CG ARG A 38 -2.100 -11.100 12.466 1.00 0.00 C ATOM 664 CD ARG A 38 -2.967 -10.531 11.352 1.00 0.00 C ATOM 665 NE ARG A 38 -4.391 -10.735 11.603 1.00 0.00 N ATOM 666 CZ ARG A 38 -5.350 -10.330 10.775 1.00 0.00 C ATOM 667 NH1 ARG A 38 -5.037 -9.706 9.647 1.00 0.00 N ATOM 668 NH2 ARG A 38 -6.624 -10.550 11.072 1.00 0.00 N ATOM 0 H ARG A 38 0.660 -12.917 12.420 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.857 -11.759 10.309 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.059 -11.099 13.111 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.491 -9.738 12.094 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -2.255 -12.177 12.536 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -2.405 -10.672 13.421 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -2.767 -9.465 11.247 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -2.695 -11.001 10.407 1.00 0.00 H new ATOM 0 HE ARG A 38 -4.665 -11.214 12.460 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -4.059 -9.536 9.413 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -5.774 -9.397 9.014 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -6.870 -11.031 11.937 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -7.357 -10.238 10.435 1.00 0.00 H new ATOM 682 N ARG A 39 2.105 -10.426 10.941 1.00 0.00 N ATOM 683 CA ARG A 39 3.157 -9.591 10.369 1.00 0.00 C ATOM 684 C ARG A 39 3.508 -10.044 8.954 1.00 0.00 C ATOM 685 O ARG A 39 3.836 -9.230 8.092 1.00 0.00 O ATOM 686 CB ARG A 39 4.408 -9.641 11.251 1.00 0.00 C ATOM 687 CG ARG A 39 4.149 -9.249 12.697 1.00 0.00 C ATOM 688 CD ARG A 39 5.377 -9.473 13.566 1.00 0.00 C ATOM 689 NE ARG A 39 5.113 -9.181 14.973 1.00 0.00 N ATOM 690 CZ ARG A 39 6.010 -9.347 15.942 1.00 0.00 C ATOM 691 NH1 ARG A 39 7.221 -9.807 15.657 1.00 0.00 N ATOM 692 NH2 ARG A 39 5.695 -9.059 17.197 1.00 0.00 N ATOM 0 H ARG A 39 2.326 -10.812 11.859 1.00 0.00 H new ATOM 0 HA ARG A 39 2.786 -8.567 10.323 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.821 -10.650 11.225 1.00 0.00 H new ATOM 0 HB3 ARG A 39 5.164 -8.976 10.833 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.856 -8.200 12.743 1.00 0.00 H new ATOM 0 HG3 ARG A 39 3.314 -9.831 13.088 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.708 -10.507 13.466 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.192 -8.842 13.212 1.00 0.00 H new ATOM 0 HE ARG A 39 4.189 -8.830 15.227 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.466 -10.034 14.693 1.00 0.00 H new ATOM 0 HH12 ARG A 39 7.907 -9.933 16.401 1.00 0.00 H new ATOM 0 HH21 ARG A 39 4.763 -8.709 17.422 1.00 0.00 H new ATOM 0 HH22 ARG A 39 6.384 -9.187 17.938 1.00 0.00 H new ATOM 706 N TYR A 40 3.419 -11.349 8.723 1.00 0.00 N ATOM 707 CA TYR A 40 3.742 -11.924 7.423 1.00 0.00 C ATOM 708 C TYR A 40 2.655 -11.645 6.386 1.00 0.00 C ATOM 709 O TYR A 40 2.921 -11.042 5.346 1.00 0.00 O ATOM 710 CB TYR A 40 3.945 -13.432 7.562 1.00 0.00 C ATOM 711 CG TYR A 40 4.340 -14.114 6.271 1.00 0.00 C ATOM 712 CD1 TYR A 40 5.586 -13.893 5.699 1.00 0.00 C ATOM 713 CD2 TYR A 40 3.465 -14.979 5.625 1.00 0.00 C ATOM 714 CE1 TYR A 40 5.949 -14.515 4.519 1.00 0.00 C ATOM 715 CE2 TYR A 40 3.822 -15.605 4.447 1.00 0.00 C ATOM 716 CZ TYR A 40 5.064 -15.370 3.897 1.00 0.00 C ATOM 717 OH TYR A 40 5.423 -15.990 2.723 1.00 0.00 O ATOM 0 H TYR A 40 3.125 -12.031 9.422 1.00 0.00 H new ATOM 0 HA TYR A 40 4.661 -11.453 7.074 1.00 0.00 H new ATOM 0 HB2 TYR A 40 4.714 -13.619 8.311 1.00 0.00 H new ATOM 0 HB3 TYR A 40 3.024 -13.881 7.933 1.00 0.00 H new ATOM 0 HD1 TYR A 40 6.282 -13.225 6.184 1.00 0.00 H new ATOM 0 HD2 TYR A 40 2.490 -15.165 6.051 1.00 0.00 H new ATOM 0 HE1 TYR A 40 6.921 -14.332 4.086 1.00 0.00 H new ATOM 0 HE2 TYR A 40 3.131 -16.276 3.959 1.00 0.00 H new ATOM 0 HH TYR A 40 4.687 -16.560 2.416 1.00 0.00 H new ATOM 727 N GLU A 41 1.436 -12.094 6.672 1.00 0.00 N ATOM 728 CA GLU A 41 0.315 -11.911 5.754 1.00 0.00 C ATOM 729 C GLU A 41 0.127 -10.443 5.379 1.00 0.00 C ATOM 730 O GLU A 41 -0.097 -10.118 4.213 1.00 0.00 O ATOM 731 CB GLU A 41 -0.974 -12.463 6.368 1.00 0.00 C ATOM 732 CG GLU A 41 -1.354 -11.811 7.689 1.00 0.00 C ATOM 733 CD GLU A 41 -2.630 -12.383 8.274 1.00 0.00 C ATOM 734 OE1 GLU A 41 -2.555 -13.426 8.959 1.00 0.00 O ATOM 735 OE2 GLU A 41 -3.705 -11.788 8.049 1.00 0.00 O ATOM 0 H GLU A 41 1.199 -12.588 7.533 1.00 0.00 H new ATOM 0 HA GLU A 41 0.545 -12.464 4.843 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.790 -12.327 5.659 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.861 -13.536 6.523 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.540 -11.942 8.402 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.476 -10.738 7.539 1.00 0.00 H new ATOM 742 N VAL A 42 0.221 -9.561 6.367 1.00 0.00 N ATOM 743 CA VAL A 42 0.052 -8.134 6.126 1.00 0.00 C ATOM 744 C VAL A 42 1.242 -7.561 5.366 1.00 0.00 C ATOM 745 O VAL A 42 1.131 -6.524 4.714 1.00 0.00 O ATOM 746 CB VAL A 42 -0.133 -7.355 7.444 1.00 0.00 C ATOM 747 CG1 VAL A 42 -1.248 -7.975 8.273 1.00 0.00 C ATOM 748 CG2 VAL A 42 1.168 -7.308 8.232 1.00 0.00 C ATOM 0 H VAL A 42 0.412 -9.808 7.338 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.848 -8.020 5.522 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.414 -6.330 7.202 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.367 -7.414 9.200 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.180 -7.945 7.709 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.997 -9.010 8.505 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.013 -6.753 9.158 1.00 0.00 H new ATOM 0 HG22 VAL A 42 1.488 -8.323 8.466 1.00 0.00 H new ATOM 0 HG23 VAL A 42 1.936 -6.814 7.637 1.00 0.00 H new ATOM 758 N ALA A 43 2.380 -8.243 5.452 1.00 0.00 N ATOM 759 CA ALA A 43 3.589 -7.800 4.767 1.00 0.00 C ATOM 760 C ALA A 43 3.576 -8.233 3.307 1.00 0.00 C ATOM 761 O ALA A 43 4.193 -7.597 2.453 1.00 0.00 O ATOM 762 CB ALA A 43 4.821 -8.349 5.468 1.00 0.00 C ATOM 0 H ALA A 43 2.490 -9.103 5.989 1.00 0.00 H new ATOM 0 HA ALA A 43 3.620 -6.711 4.799 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.717 -8.011 4.947 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.843 -7.992 6.498 1.00 0.00 H new ATOM 0 HB3 ALA A 43 4.787 -9.438 5.463 1.00 0.00 H new ATOM 768 N ARG A 44 2.868 -9.320 3.032 1.00 0.00 N ATOM 769 CA ARG A 44 2.772 -9.851 1.683 1.00 0.00 C ATOM 770 C ARG A 44 1.751 -9.075 0.859 1.00 0.00 C ATOM 771 O ARG A 44 1.882 -8.960 -0.360 1.00 0.00 O ATOM 772 CB ARG A 44 2.390 -11.328 1.739 1.00 0.00 C ATOM 773 CG ARG A 44 3.513 -12.228 2.234 1.00 0.00 C ATOM 774 CD ARG A 44 4.651 -12.307 1.229 1.00 0.00 C ATOM 775 NE ARG A 44 4.235 -12.933 -0.022 1.00 0.00 N ATOM 776 CZ ARG A 44 5.081 -13.338 -0.965 1.00 0.00 C ATOM 777 NH1 ARG A 44 6.388 -13.185 -0.799 1.00 0.00 N ATOM 778 NH2 ARG A 44 4.620 -13.897 -2.075 1.00 0.00 N ATOM 0 H ARG A 44 2.350 -9.852 3.731 1.00 0.00 H new ATOM 0 HA ARG A 44 3.743 -9.745 1.200 1.00 0.00 H new ATOM 0 HB2 ARG A 44 1.525 -11.447 2.392 1.00 0.00 H new ATOM 0 HB3 ARG A 44 2.085 -11.654 0.745 1.00 0.00 H new ATOM 0 HG2 ARG A 44 3.891 -11.850 3.184 1.00 0.00 H new ATOM 0 HG3 ARG A 44 3.123 -13.228 2.422 1.00 0.00 H new ATOM 0 HD2 ARG A 44 5.025 -11.304 1.025 1.00 0.00 H new ATOM 0 HD3 ARG A 44 5.477 -12.873 1.660 1.00 0.00 H new ATOM 0 HE ARG A 44 3.237 -13.068 -0.183 1.00 0.00 H new ATOM 0 HH11 ARG A 44 6.747 -12.756 0.054 1.00 0.00 H new ATOM 0 HH12 ARG A 44 7.034 -13.497 -1.524 1.00 0.00 H new ATOM 0 HH21 ARG A 44 3.616 -14.017 -2.207 1.00 0.00 H new ATOM 0 HH22 ARG A 44 5.270 -14.207 -2.798 1.00 0.00 H new ATOM 792 N VAL A 45 0.732 -8.545 1.531 1.00 0.00 N ATOM 793 CA VAL A 45 -0.313 -7.782 0.858 1.00 0.00 C ATOM 794 C VAL A 45 0.060 -6.306 0.752 1.00 0.00 C ATOM 795 O VAL A 45 -0.292 -5.634 -0.217 1.00 0.00 O ATOM 796 CB VAL A 45 -1.667 -7.914 1.586 1.00 0.00 C ATOM 797 CG1 VAL A 45 -2.011 -9.378 1.802 1.00 0.00 C ATOM 798 CG2 VAL A 45 -1.650 -7.166 2.913 1.00 0.00 C ATOM 0 H VAL A 45 0.609 -8.630 2.540 1.00 0.00 H new ATOM 0 HA VAL A 45 -0.410 -8.198 -0.145 1.00 0.00 H new ATOM 0 HB VAL A 45 -2.436 -7.465 0.957 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.969 -9.455 2.317 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.076 -9.883 0.838 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -1.236 -9.849 2.407 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.616 -7.276 3.405 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.869 -7.577 3.552 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -1.453 -6.109 2.733 1.00 0.00 H new ATOM 808 N LEU A 46 0.777 -5.810 1.756 1.00 0.00 N ATOM 809 CA LEU A 46 1.191 -4.413 1.782 1.00 0.00 C ATOM 810 C LEU A 46 2.535 -4.224 1.083 1.00 0.00 C ATOM 811 O LEU A 46 3.068 -3.116 1.032 1.00 0.00 O ATOM 812 CB LEU A 46 1.267 -3.912 3.227 1.00 0.00 C ATOM 813 CG LEU A 46 -0.071 -3.842 3.957 1.00 0.00 C ATOM 814 CD1 LEU A 46 0.147 -3.444 5.408 1.00 0.00 C ATOM 815 CD2 LEU A 46 -1.000 -2.856 3.258 1.00 0.00 C ATOM 0 H LEU A 46 1.083 -6.356 2.562 1.00 0.00 H new ATOM 0 HA LEU A 46 0.446 -3.828 1.243 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.936 -4.565 3.787 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.717 -2.919 3.228 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.540 -4.826 3.937 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.814 -3.397 5.921 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.783 -4.183 5.896 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.628 -2.467 5.449 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.952 -2.815 3.788 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.543 -1.866 3.254 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.170 -3.181 2.232 1.00 0.00 H new ATOM 827 N ASN A 47 3.072 -5.316 0.546 1.00 0.00 N ATOM 828 CA ASN A 47 4.351 -5.284 -0.158 1.00 0.00 C ATOM 829 C ASN A 47 5.468 -4.791 0.757 1.00 0.00 C ATOM 830 O ASN A 47 6.425 -4.159 0.307 1.00 0.00 O ATOM 831 CB ASN A 47 4.250 -4.392 -1.399 1.00 0.00 C ATOM 832 CG ASN A 47 5.442 -4.546 -2.322 1.00 0.00 C ATOM 833 OD1 ASN A 47 6.057 -5.611 -2.391 1.00 0.00 O ATOM 834 ND2 ASN A 47 5.776 -3.480 -3.041 1.00 0.00 N ATOM 0 H ASN A 47 2.639 -6.239 0.585 1.00 0.00 H new ATOM 0 HA ASN A 47 4.592 -6.300 -0.470 1.00 0.00 H new ATOM 0 HB2 ASN A 47 3.338 -4.635 -1.944 1.00 0.00 H new ATOM 0 HB3 ASN A 47 4.167 -3.351 -1.088 1.00 0.00 H new ATOM 0 HD21 ASN A 47 6.569 -3.524 -3.681 1.00 0.00 H new ATOM 0 HD22 ASN A 47 5.239 -2.617 -2.953 1.00 0.00 H new ATOM 841 N LEU A 48 5.342 -5.096 2.043 1.00 0.00 N ATOM 842 CA LEU A 48 6.338 -4.693 3.030 1.00 0.00 C ATOM 843 C LEU A 48 6.994 -5.918 3.660 1.00 0.00 C ATOM 844 O LEU A 48 6.668 -7.053 3.313 1.00 0.00 O ATOM 845 CB LEU A 48 5.696 -3.829 4.119 1.00 0.00 C ATOM 846 CG LEU A 48 4.768 -2.720 3.615 1.00 0.00 C ATOM 847 CD1 LEU A 48 4.251 -1.889 4.779 1.00 0.00 C ATOM 848 CD2 LEU A 48 5.482 -1.835 2.602 1.00 0.00 C ATOM 0 H LEU A 48 4.558 -5.623 2.428 1.00 0.00 H new ATOM 0 HA LEU A 48 7.103 -4.107 2.520 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.130 -4.478 4.787 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.489 -3.374 4.713 1.00 0.00 H new ATOM 0 HG LEU A 48 3.918 -3.187 3.118 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.593 -1.106 4.403 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.697 -2.529 5.466 1.00 0.00 H new ATOM 0 HD13 LEU A 48 5.092 -1.436 5.304 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.803 -1.055 2.258 1.00 0.00 H new ATOM 0 HD22 LEU A 48 6.354 -1.377 3.069 1.00 0.00 H new ATOM 0 HD23 LEU A 48 5.801 -2.439 1.752 1.00 0.00 H new ATOM 860 N THR A 49 7.930 -5.682 4.574 1.00 0.00 N ATOM 861 CA THR A 49 8.621 -6.771 5.256 1.00 0.00 C ATOM 862 C THR A 49 8.041 -6.983 6.651 1.00 0.00 C ATOM 863 O THR A 49 7.433 -6.078 7.223 1.00 0.00 O ATOM 864 CB THR A 49 10.134 -6.498 5.369 1.00 0.00 C ATOM 865 OG1 THR A 49 10.649 -6.056 4.108 1.00 0.00 O ATOM 866 CG2 THR A 49 10.879 -7.751 5.811 1.00 0.00 C ATOM 0 H THR A 49 8.227 -4.749 4.859 1.00 0.00 H new ATOM 0 HA THR A 49 8.475 -7.671 4.659 1.00 0.00 H new ATOM 0 HB THR A 49 10.284 -5.719 6.117 1.00 0.00 H new ATOM 0 HG1 THR A 49 11.610 -5.883 4.190 1.00 0.00 H new ATOM 0 HG21 THR A 49 11.945 -7.534 5.884 1.00 0.00 H new ATOM 0 HG22 THR A 49 10.507 -8.071 6.784 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.719 -8.545 5.082 1.00 0.00 H new ATOM 874 N GLU A 50 8.227 -8.185 7.193 1.00 0.00 N ATOM 875 CA GLU A 50 7.720 -8.516 8.522 1.00 0.00 C ATOM 876 C GLU A 50 8.199 -7.508 9.561 1.00 0.00 C ATOM 877 O GLU A 50 7.489 -7.203 10.519 1.00 0.00 O ATOM 878 CB GLU A 50 8.164 -9.923 8.920 1.00 0.00 C ATOM 879 CG GLU A 50 7.618 -11.012 8.013 1.00 0.00 C ATOM 880 CD GLU A 50 8.158 -12.386 8.359 1.00 0.00 C ATOM 881 OE1 GLU A 50 7.616 -13.020 9.287 1.00 0.00 O ATOM 882 OE2 GLU A 50 9.124 -12.826 7.701 1.00 0.00 O ATOM 0 H GLU A 50 8.725 -8.946 6.732 1.00 0.00 H new ATOM 0 HA GLU A 50 6.631 -8.478 8.486 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.253 -9.967 8.912 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.845 -10.120 9.943 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.530 -11.025 8.082 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.869 -10.777 6.979 1.00 0.00 H new ATOM 889 N ARG A 51 9.409 -6.996 9.365 1.00 0.00 N ATOM 890 CA ARG A 51 9.987 -6.022 10.282 1.00 0.00 C ATOM 891 C ARG A 51 9.500 -4.613 9.961 1.00 0.00 C ATOM 892 O ARG A 51 9.417 -3.761 10.844 1.00 0.00 O ATOM 893 CB ARG A 51 11.513 -6.066 10.220 1.00 0.00 C ATOM 894 CG ARG A 51 12.100 -7.408 10.621 1.00 0.00 C ATOM 895 CD ARG A 51 13.617 -7.353 10.690 1.00 0.00 C ATOM 896 NE ARG A 51 14.207 -6.951 9.417 1.00 0.00 N ATOM 897 CZ ARG A 51 15.473 -6.569 9.278 1.00 0.00 C ATOM 898 NH1 ARG A 51 16.285 -6.550 10.328 1.00 0.00 N ATOM 899 NH2 ARG A 51 15.931 -6.208 8.088 1.00 0.00 N ATOM 0 H ARG A 51 10.009 -7.240 8.577 1.00 0.00 H new ATOM 0 HA ARG A 51 9.663 -6.282 11.290 1.00 0.00 H new ATOM 0 HB2 ARG A 51 11.834 -5.827 9.206 1.00 0.00 H new ATOM 0 HB3 ARG A 51 11.917 -5.292 10.873 1.00 0.00 H new ATOM 0 HG2 ARG A 51 11.701 -7.706 11.591 1.00 0.00 H new ATOM 0 HG3 ARG A 51 11.795 -8.169 9.903 1.00 0.00 H new ATOM 0 HD2 ARG A 51 13.920 -6.652 11.468 1.00 0.00 H new ATOM 0 HD3 ARG A 51 14.003 -8.332 10.976 1.00 0.00 H new ATOM 0 HE ARG A 51 13.615 -6.964 8.587 1.00 0.00 H new ATOM 0 HH11 ARG A 51 15.938 -6.829 11.246 1.00 0.00 H new ATOM 0 HH12 ARG A 51 17.255 -6.256 10.217 1.00 0.00 H new ATOM 0 HH21 ARG A 51 15.312 -6.223 7.277 1.00 0.00 H new ATOM 0 HH22 ARG A 51 16.902 -5.915 7.983 1.00 0.00 H new ATOM 913 N GLN A 52 9.180 -4.372 8.694 1.00 0.00 N ATOM 914 CA GLN A 52 8.703 -3.063 8.266 1.00 0.00 C ATOM 915 C GLN A 52 7.337 -2.753 8.872 1.00 0.00 C ATOM 916 O GLN A 52 7.058 -1.611 9.241 1.00 0.00 O ATOM 917 CB GLN A 52 8.628 -2.997 6.739 1.00 0.00 C ATOM 918 CG GLN A 52 9.988 -3.052 6.062 1.00 0.00 C ATOM 919 CD GLN A 52 10.867 -1.872 6.426 1.00 0.00 C ATOM 920 OE1 GLN A 52 11.617 -1.917 7.402 1.00 0.00 O ATOM 921 NE2 GLN A 52 10.782 -0.807 5.638 1.00 0.00 N ATOM 0 H GLN A 52 9.242 -5.064 7.948 1.00 0.00 H new ATOM 0 HA GLN A 52 9.412 -2.314 8.619 1.00 0.00 H new ATOM 0 HB2 GLN A 52 8.017 -3.824 6.377 1.00 0.00 H new ATOM 0 HB3 GLN A 52 8.123 -2.076 6.447 1.00 0.00 H new ATOM 0 HG2 GLN A 52 10.492 -3.977 6.342 1.00 0.00 H new ATOM 0 HG3 GLN A 52 9.851 -3.079 4.981 1.00 0.00 H new ATOM 0 HE21 GLN A 52 10.147 -0.813 4.840 1.00 0.00 H new ATOM 0 HE22 GLN A 52 11.352 0.017 5.831 1.00 0.00 H new ATOM 930 N VAL A 53 6.492 -3.774 8.976 1.00 0.00 N ATOM 931 CA VAL A 53 5.158 -3.606 9.539 1.00 0.00 C ATOM 932 C VAL A 53 5.212 -3.532 11.062 1.00 0.00 C ATOM 933 O VAL A 53 4.489 -2.752 11.681 1.00 0.00 O ATOM 934 CB VAL A 53 4.216 -4.751 9.114 1.00 0.00 C ATOM 935 CG1 VAL A 53 4.115 -4.816 7.600 1.00 0.00 C ATOM 936 CG2 VAL A 53 4.691 -6.084 9.676 1.00 0.00 C ATOM 0 H VAL A 53 6.708 -4.725 8.678 1.00 0.00 H new ATOM 0 HA VAL A 53 4.764 -2.668 9.149 1.00 0.00 H new ATOM 0 HB VAL A 53 3.226 -4.548 9.521 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.447 -5.629 7.314 1.00 0.00 H new ATOM 0 HG12 VAL A 53 3.722 -3.873 7.221 1.00 0.00 H new ATOM 0 HG13 VAL A 53 5.104 -4.993 7.177 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.010 -6.875 9.362 1.00 0.00 H new ATOM 0 HG22 VAL A 53 5.693 -6.299 9.304 1.00 0.00 H new ATOM 0 HG23 VAL A 53 4.711 -6.034 10.765 1.00 0.00 H new ATOM 946 N LYS A 54 6.077 -4.348 11.656 1.00 0.00 N ATOM 947 CA LYS A 54 6.235 -4.376 13.106 1.00 0.00 C ATOM 948 C LYS A 54 6.788 -3.048 13.613 1.00 0.00 C ATOM 949 O LYS A 54 6.264 -2.468 14.564 1.00 0.00 O ATOM 950 CB LYS A 54 7.165 -5.519 13.514 1.00 0.00 C ATOM 951 CG LYS A 54 7.293 -5.696 15.019 1.00 0.00 C ATOM 952 CD LYS A 54 8.318 -6.763 15.372 1.00 0.00 C ATOM 953 CE LYS A 54 9.734 -6.309 15.050 1.00 0.00 C ATOM 954 NZ LYS A 54 10.742 -7.349 15.394 1.00 0.00 N ATOM 0 H LYS A 54 6.680 -5.000 11.155 1.00 0.00 H new ATOM 0 HA LYS A 54 5.255 -4.538 13.555 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.797 -6.448 13.078 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.154 -5.339 13.093 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.582 -4.749 15.474 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.324 -5.969 15.438 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.244 -7.002 16.433 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.095 -7.678 14.823 1.00 0.00 H new ATOM 0 HE2 LYS A 54 9.806 -6.070 13.989 1.00 0.00 H new ATOM 0 HE3 LYS A 54 9.955 -5.393 15.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 11.694 -7.001 15.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.691 -7.559 16.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.547 -8.215 14.852 1.00 0.00 H new ATOM 968 N ILE A 55 7.850 -2.576 12.971 1.00 0.00 N ATOM 969 CA ILE A 55 8.475 -1.317 13.349 1.00 0.00 C ATOM 970 C ILE A 55 7.519 -0.149 13.118 1.00 0.00 C ATOM 971 O ILE A 55 7.601 0.876 13.793 1.00 0.00 O ATOM 972 CB ILE A 55 9.783 -1.082 12.561 1.00 0.00 C ATOM 973 CG1 ILE A 55 10.820 -2.145 12.932 1.00 0.00 C ATOM 974 CG2 ILE A 55 10.333 0.313 12.827 1.00 0.00 C ATOM 975 CD1 ILE A 55 12.051 -2.125 12.051 1.00 0.00 C ATOM 0 H ILE A 55 8.296 -3.048 12.185 1.00 0.00 H new ATOM 0 HA ILE A 55 8.716 -1.377 14.410 1.00 0.00 H new ATOM 0 HB ILE A 55 9.563 -1.162 11.497 1.00 0.00 H new ATOM 0 HG12 ILE A 55 11.123 -1.999 13.969 1.00 0.00 H new ATOM 0 HG13 ILE A 55 10.356 -3.130 12.872 1.00 0.00 H new ATOM 0 HG21 ILE A 55 11.254 0.455 12.261 1.00 0.00 H new ATOM 0 HG22 ILE A 55 9.599 1.058 12.519 1.00 0.00 H new ATOM 0 HG23 ILE A 55 10.540 0.426 13.891 1.00 0.00 H new ATOM 0 HD11 ILE A 55 12.741 -2.905 12.373 1.00 0.00 H new ATOM 0 HD12 ILE A 55 11.760 -2.302 11.016 1.00 0.00 H new ATOM 0 HD13 ILE A 55 12.539 -1.154 12.130 1.00 0.00 H new ATOM 987 N TRP A 56 6.607 -0.318 12.164 1.00 0.00 N ATOM 988 CA TRP A 56 5.632 0.719 11.850 1.00 0.00 C ATOM 989 C TRP A 56 4.763 1.022 13.068 1.00 0.00 C ATOM 990 O TRP A 56 4.697 2.163 13.526 1.00 0.00 O ATOM 991 CB TRP A 56 4.751 0.288 10.677 1.00 0.00 C ATOM 992 CG TRP A 56 3.901 1.400 10.142 1.00 0.00 C ATOM 993 CD1 TRP A 56 2.635 1.725 10.531 1.00 0.00 C ATOM 994 CD2 TRP A 56 4.263 2.336 9.121 1.00 0.00 C ATOM 995 NE1 TRP A 56 2.186 2.808 9.815 1.00 0.00 N ATOM 996 CE2 TRP A 56 3.168 3.201 8.941 1.00 0.00 C ATOM 997 CE3 TRP A 56 5.407 2.527 8.341 1.00 0.00 C ATOM 998 CZ2 TRP A 56 3.183 4.241 8.015 1.00 0.00 C ATOM 999 CZ3 TRP A 56 5.422 3.559 7.422 1.00 0.00 C ATOM 1000 CH2 TRP A 56 4.317 4.404 7.266 1.00 0.00 C ATOM 0 H TRP A 56 6.524 -1.162 11.597 1.00 0.00 H new ATOM 0 HA TRP A 56 6.174 1.623 11.570 1.00 0.00 H new ATOM 0 HB2 TRP A 56 5.384 -0.095 9.876 1.00 0.00 H new ATOM 0 HB3 TRP A 56 4.108 -0.532 10.995 1.00 0.00 H new ATOM 0 HD1 TRP A 56 2.068 1.207 11.291 1.00 0.00 H new ATOM 0 HE1 TRP A 56 1.272 3.248 9.917 1.00 0.00 H new ATOM 0 HE3 TRP A 56 6.264 1.880 8.454 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 2.332 4.894 7.892 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 6.301 3.716 6.814 1.00 0.00 H new ATOM 0 HH2 TRP A 56 4.360 5.202 6.539 1.00 0.00 H new ATOM 1011 N PHE A 57 4.098 -0.007 13.585 1.00 0.00 N ATOM 1012 CA PHE A 57 3.240 0.147 14.754 1.00 0.00 C ATOM 1013 C PHE A 57 4.065 0.519 15.979 1.00 0.00 C ATOM 1014 O PHE A 57 3.605 1.261 16.847 1.00 0.00 O ATOM 1015 CB PHE A 57 2.463 -1.143 15.024 1.00 0.00 C ATOM 1016 CG PHE A 57 1.416 -1.447 13.990 1.00 0.00 C ATOM 1017 CD1 PHE A 57 0.173 -0.835 14.043 1.00 0.00 C ATOM 1018 CD2 PHE A 57 1.673 -2.345 12.966 1.00 0.00 C ATOM 1019 CE1 PHE A 57 -0.793 -1.112 13.095 1.00 0.00 C ATOM 1020 CE2 PHE A 57 0.710 -2.627 12.016 1.00 0.00 C ATOM 1021 CZ PHE A 57 -0.524 -2.010 12.080 1.00 0.00 C ATOM 0 H PHE A 57 4.137 -0.956 13.213 1.00 0.00 H new ATOM 0 HA PHE A 57 2.531 0.950 14.550 1.00 0.00 H new ATOM 0 HB2 PHE A 57 3.165 -1.976 15.073 1.00 0.00 H new ATOM 0 HB3 PHE A 57 1.985 -1.071 16.001 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -0.043 -0.133 14.835 1.00 0.00 H new ATOM 0 HD2 PHE A 57 2.637 -2.830 12.910 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -1.757 -0.627 13.147 1.00 0.00 H new ATOM 0 HE2 PHE A 57 0.922 -3.330 11.224 1.00 0.00 H new ATOM 0 HZ PHE A 57 -1.277 -2.229 11.338 1.00 0.00 H new ATOM 1031 N GLN A 58 5.287 -0.003 16.043 1.00 0.00 N ATOM 1032 CA GLN A 58 6.179 0.275 17.159 1.00 0.00 C ATOM 1033 C GLN A 58 6.447 1.772 17.276 1.00 0.00 C ATOM 1034 O GLN A 58 6.379 2.342 18.365 1.00 0.00 O ATOM 1035 CB GLN A 58 7.498 -0.477 16.980 1.00 0.00 C ATOM 1036 CG GLN A 58 8.345 -0.524 18.239 1.00 0.00 C ATOM 1037 CD GLN A 58 7.688 -1.317 19.352 1.00 0.00 C ATOM 1038 OE1 GLN A 58 6.931 -2.255 19.098 1.00 0.00 O ATOM 1039 NE2 GLN A 58 7.970 -0.944 20.595 1.00 0.00 N ATOM 0 H GLN A 58 5.680 -0.621 15.333 1.00 0.00 H new ATOM 0 HA GLN A 58 5.696 -0.064 18.075 1.00 0.00 H new ATOM 0 HB2 GLN A 58 7.285 -1.496 16.657 1.00 0.00 H new ATOM 0 HB3 GLN A 58 8.072 -0.003 16.183 1.00 0.00 H new ATOM 0 HG2 GLN A 58 9.313 -0.966 18.005 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.534 0.493 18.584 1.00 0.00 H new ATOM 0 HE21 GLN A 58 8.602 -0.161 20.762 1.00 0.00 H new ATOM 0 HE22 GLN A 58 7.554 -1.440 21.383 1.00 0.00 H new ATOM 1048 N ASN A 59 6.755 2.400 16.144 1.00 0.00 N ATOM 1049 CA ASN A 59 7.031 3.832 16.111 1.00 0.00 C ATOM 1050 C ASN A 59 5.839 4.624 16.632 1.00 0.00 C ATOM 1051 O ASN A 59 5.994 5.547 17.431 1.00 0.00 O ATOM 1052 CB ASN A 59 7.371 4.273 14.687 1.00 0.00 C ATOM 1053 CG ASN A 59 8.717 3.745 14.229 1.00 0.00 C ATOM 1054 OD1 ASN A 59 9.627 3.553 15.034 1.00 0.00 O ATOM 1055 ND2 ASN A 59 8.849 3.506 12.929 1.00 0.00 N ATOM 0 H ASN A 59 6.820 1.938 15.237 1.00 0.00 H new ATOM 0 HA ASN A 59 7.886 4.030 16.757 1.00 0.00 H new ATOM 0 HB2 ASN A 59 6.595 3.924 14.006 1.00 0.00 H new ATOM 0 HB3 ASN A 59 7.374 5.362 14.637 1.00 0.00 H new ATOM 0 HD21 ASN A 59 9.732 3.149 12.563 1.00 0.00 H new ATOM 0 HD22 ASN A 59 8.068 3.680 12.297 1.00 0.00 H new ATOM 1062 N ARG A 60 4.648 4.256 16.170 1.00 0.00 N ATOM 1063 CA ARG A 60 3.422 4.922 16.594 1.00 0.00 C ATOM 1064 C ARG A 60 3.229 4.785 18.100 1.00 0.00 C ATOM 1065 O ARG A 60 2.509 5.567 18.720 1.00 0.00 O ATOM 1066 CB ARG A 60 2.217 4.334 15.858 1.00 0.00 C ATOM 1067 CG ARG A 60 2.312 4.439 14.345 1.00 0.00 C ATOM 1068 CD ARG A 60 2.322 5.889 13.884 1.00 0.00 C ATOM 1069 NE ARG A 60 2.400 5.998 12.430 1.00 0.00 N ATOM 1070 CZ ARG A 60 2.524 7.153 11.783 1.00 0.00 C ATOM 1071 NH1 ARG A 60 2.584 8.294 12.457 1.00 0.00 N ATOM 1072 NH2 ARG A 60 2.591 7.167 10.459 1.00 0.00 N ATOM 0 H ARG A 60 4.506 3.499 15.501 1.00 0.00 H new ATOM 0 HA ARG A 60 3.506 5.981 16.348 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.111 3.285 16.134 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.314 4.845 16.192 1.00 0.00 H new ATOM 0 HG2 ARG A 60 3.219 3.941 14.001 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.470 3.918 13.890 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.420 6.388 14.238 1.00 0.00 H new ATOM 0 HD3 ARG A 60 3.170 6.407 14.333 1.00 0.00 H new ATOM 0 HE ARG A 60 2.357 5.140 11.880 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.535 8.288 13.476 1.00 0.00 H new ATOM 0 HH12 ARG A 60 2.679 9.178 11.956 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.547 6.292 9.937 1.00 0.00 H new ATOM 0 HH22 ARG A 60 2.686 8.053 9.963 1.00 0.00 H new ATOM 1086 N ARG A 61 3.871 3.775 18.680 1.00 0.00 N ATOM 1087 CA ARG A 61 3.775 3.527 20.113 1.00 0.00 C ATOM 1088 C ARG A 61 4.732 4.430 20.887 1.00 0.00 C ATOM 1089 O ARG A 61 4.384 4.956 21.945 1.00 0.00 O ATOM 1090 CB ARG A 61 4.085 2.060 20.414 1.00 0.00 C ATOM 1091 CG ARG A 61 3.713 1.630 21.824 1.00 0.00 C ATOM 1092 CD ARG A 61 2.207 1.606 22.019 1.00 0.00 C ATOM 1093 NE ARG A 61 1.541 0.784 21.012 1.00 0.00 N ATOM 1094 CZ ARG A 61 0.254 0.901 20.697 1.00 0.00 C ATOM 1095 NH1 ARG A 61 -0.506 1.793 21.316 1.00 0.00 N ATOM 1096 NH2 ARG A 61 -0.272 0.121 19.762 1.00 0.00 N ATOM 0 H ARG A 61 4.464 3.115 18.178 1.00 0.00 H new ATOM 0 HA ARG A 61 2.757 3.752 20.431 1.00 0.00 H new ATOM 0 HB2 ARG A 61 3.552 1.432 19.700 1.00 0.00 H new ATOM 0 HB3 ARG A 61 5.150 1.884 20.260 1.00 0.00 H new ATOM 0 HG2 ARG A 61 4.123 0.640 22.024 1.00 0.00 H new ATOM 0 HG3 ARG A 61 4.164 2.313 22.545 1.00 0.00 H new ATOM 0 HD2 ARG A 61 1.976 1.222 23.012 1.00 0.00 H new ATOM 0 HD3 ARG A 61 1.818 2.623 21.972 1.00 0.00 H new ATOM 0 HE ARG A 61 2.094 0.080 20.523 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -0.104 2.393 22.037 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -1.492 1.880 21.072 1.00 0.00 H new ATOM 0 HH21 ARG A 61 0.310 -0.568 19.285 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -1.259 0.210 19.520 1.00 0.00 H new ATOM 1110 N MET A 62 5.937 4.602 20.351 1.00 0.00 N ATOM 1111 CA MET A 62 6.950 5.437 20.985 1.00 0.00 C ATOM 1112 C MET A 62 6.423 6.844 21.248 1.00 0.00 C ATOM 1113 O MET A 62 6.635 7.403 22.324 1.00 0.00 O ATOM 1114 CB MET A 62 8.199 5.508 20.107 1.00 0.00 C ATOM 1115 CG MET A 62 8.641 4.158 19.571 1.00 0.00 C ATOM 1116 SD MET A 62 10.237 4.230 18.735 1.00 0.00 S ATOM 1117 CE MET A 62 10.441 2.518 18.253 1.00 0.00 C ATOM 0 H MET A 62 6.236 4.172 19.476 1.00 0.00 H new ATOM 0 HA MET A 62 7.205 4.984 21.943 1.00 0.00 H new ATOM 0 HB2 MET A 62 8.006 6.177 19.269 1.00 0.00 H new ATOM 0 HB3 MET A 62 9.014 5.946 20.683 1.00 0.00 H new ATOM 0 HG2 MET A 62 8.698 3.446 20.394 1.00 0.00 H new ATOM 0 HG3 MET A 62 7.889 3.783 18.877 1.00 0.00 H new ATOM 0 HE1 MET A 62 11.424 2.382 17.802 1.00 0.00 H new ATOM 0 HE2 MET A 62 10.353 1.880 19.132 1.00 0.00 H new ATOM 0 HE3 MET A 62 9.670 2.249 17.531 1.00 0.00 H new ATOM 1127 N LYS A 63 5.739 7.416 20.260 1.00 0.00 N ATOM 1128 CA LYS A 63 5.191 8.761 20.394 1.00 0.00 C ATOM 1129 C LYS A 63 4.122 8.805 21.481 1.00 0.00 C ATOM 1130 O LYS A 63 3.964 9.813 22.169 1.00 0.00 O ATOM 1131 CB LYS A 63 4.613 9.246 19.061 1.00 0.00 C ATOM 1132 CG LYS A 63 3.315 8.559 18.665 1.00 0.00 C ATOM 1133 CD LYS A 63 2.760 9.126 17.368 1.00 0.00 C ATOM 1134 CE LYS A 63 1.335 8.659 17.124 1.00 0.00 C ATOM 1135 NZ LYS A 63 0.795 9.176 15.835 1.00 0.00 N ATOM 0 H LYS A 63 5.552 6.970 19.362 1.00 0.00 H new ATOM 0 HA LYS A 63 6.003 9.428 20.682 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.440 10.321 19.121 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.352 9.085 18.276 1.00 0.00 H new ATOM 0 HG2 LYS A 63 3.488 7.489 18.551 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.580 8.680 19.461 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.786 10.215 17.404 1.00 0.00 H new ATOM 0 HD3 LYS A 63 3.393 8.820 16.535 1.00 0.00 H new ATOM 0 HE2 LYS A 63 1.306 7.569 17.119 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.698 8.991 17.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.179 8.835 15.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.799 10.216 15.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.387 8.838 15.050 1.00 0.00 H new ATOM 1149 N MET A 64 3.393 7.703 21.631 1.00 0.00 N ATOM 1150 CA MET A 64 2.345 7.613 22.639 1.00 0.00 C ATOM 1151 C MET A 64 2.938 7.307 24.010 1.00 0.00 C ATOM 1152 O MET A 64 2.271 7.453 25.034 1.00 0.00 O ATOM 1153 CB MET A 64 1.327 6.537 22.256 1.00 0.00 C ATOM 1154 CG MET A 64 0.512 6.885 21.022 1.00 0.00 C ATOM 1155 SD MET A 64 -0.386 8.438 21.205 1.00 0.00 S ATOM 1156 CE MET A 64 -1.328 8.467 19.682 1.00 0.00 C ATOM 0 H MET A 64 3.510 6.861 21.067 1.00 0.00 H new ATOM 0 HA MET A 64 1.838 8.577 22.688 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.851 5.597 22.082 1.00 0.00 H new ATOM 0 HB3 MET A 64 0.650 6.374 23.095 1.00 0.00 H new ATOM 0 HG2 MET A 64 1.175 6.952 20.159 1.00 0.00 H new ATOM 0 HG3 MET A 64 -0.196 6.081 20.819 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.256 9.456 19.229 1.00 0.00 H new ATOM 0 HE2 MET A 64 -0.929 7.722 18.993 1.00 0.00 H new ATOM 0 HE3 MET A 64 -2.373 8.241 19.896 1.00 0.00 H new ATOM 1166 N LYS A 65 4.199 6.883 24.018 1.00 0.00 N ATOM 1167 CA LYS A 65 4.891 6.556 25.259 1.00 0.00 C ATOM 1168 C LYS A 65 5.481 7.809 25.899 1.00 0.00 C ATOM 1169 O LYS A 65 5.669 7.864 27.115 1.00 0.00 O ATOM 1170 CB LYS A 65 5.997 5.531 24.995 1.00 0.00 C ATOM 1171 CG LYS A 65 5.494 4.098 24.912 1.00 0.00 C ATOM 1172 CD LYS A 65 4.999 3.603 26.262 1.00 0.00 C ATOM 1173 CE LYS A 65 4.574 2.144 26.201 1.00 0.00 C ATOM 1174 NZ LYS A 65 3.443 1.935 25.256 1.00 0.00 N ATOM 0 H LYS A 65 4.762 6.758 23.177 1.00 0.00 H new ATOM 0 HA LYS A 65 4.166 6.126 25.950 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.500 5.785 24.062 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.741 5.600 25.788 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.687 4.036 24.182 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.295 3.450 24.557 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.787 3.722 27.005 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.158 4.214 26.588 1.00 0.00 H new ATOM 0 HE2 LYS A 65 5.422 1.531 25.894 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.282 1.809 27.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 2.666 1.449 25.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.109 2.855 24.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.763 1.355 24.455 1.00 0.00 H new ATOM 1188 N LYS A 66 5.768 8.811 25.075 1.00 0.00 N ATOM 1189 CA LYS A 66 6.336 10.062 25.565 1.00 0.00 C ATOM 1190 C LYS A 66 5.265 11.142 25.676 1.00 0.00 C ATOM 1191 O LYS A 66 5.452 12.147 26.361 1.00 0.00 O ATOM 1192 CB LYS A 66 7.461 10.532 24.641 1.00 0.00 C ATOM 1193 CG LYS A 66 7.022 10.748 23.203 1.00 0.00 C ATOM 1194 CD LYS A 66 8.176 11.227 22.338 1.00 0.00 C ATOM 1195 CE LYS A 66 7.749 11.411 20.891 1.00 0.00 C ATOM 1196 NZ LYS A 66 8.874 11.878 20.036 1.00 0.00 N ATOM 0 H LYS A 66 5.617 8.782 24.067 1.00 0.00 H new ATOM 0 HA LYS A 66 6.745 9.881 26.559 1.00 0.00 H new ATOM 0 HB2 LYS A 66 7.873 11.464 25.029 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.265 9.796 24.659 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.624 9.817 22.799 1.00 0.00 H new ATOM 0 HG3 LYS A 66 6.215 11.480 23.173 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.558 12.170 22.729 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.993 10.507 22.389 1.00 0.00 H new ATOM 0 HE2 LYS A 66 7.365 10.467 20.503 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.932 12.131 20.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.542 11.991 19.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 9.224 12.791 20.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.643 11.179 20.062 1.00 0.00 H new ATOM 1210 N MET A 67 4.141 10.926 24.997 1.00 0.00 N ATOM 1211 CA MET A 67 3.037 11.878 25.022 1.00 0.00 C ATOM 1212 C MET A 67 2.435 11.963 26.420 1.00 0.00 C ATOM 1213 O MET A 67 2.001 10.957 26.981 1.00 0.00 O ATOM 1214 CB MET A 67 1.963 11.469 24.009 1.00 0.00 C ATOM 1215 CG MET A 67 0.885 12.521 23.792 1.00 0.00 C ATOM 1216 SD MET A 67 -0.330 12.567 25.123 1.00 0.00 S ATOM 1217 CE MET A 67 -1.465 13.804 24.502 1.00 0.00 C ATOM 0 H MET A 67 3.972 10.100 24.423 1.00 0.00 H new ATOM 0 HA MET A 67 3.422 12.861 24.751 1.00 0.00 H new ATOM 0 HB2 MET A 67 2.442 11.252 23.054 1.00 0.00 H new ATOM 0 HB3 MET A 67 1.493 10.546 24.346 1.00 0.00 H new ATOM 0 HG2 MET A 67 1.354 13.501 23.701 1.00 0.00 H new ATOM 0 HG3 MET A 67 0.376 12.323 22.849 1.00 0.00 H new ATOM 0 HE1 MET A 67 -2.276 13.946 25.217 1.00 0.00 H new ATOM 0 HE2 MET A 67 -0.935 14.746 24.363 1.00 0.00 H new ATOM 0 HE3 MET A 67 -1.876 13.474 23.548 1.00 0.00 H new ATOM 1227 N ASN A 68 2.411 13.169 26.978 1.00 0.00 N ATOM 1228 CA ASN A 68 1.864 13.381 28.313 1.00 0.00 C ATOM 1229 C ASN A 68 0.340 13.444 28.273 1.00 0.00 C ATOM 1230 O ASN A 68 -0.201 14.546 28.036 1.00 0.00 O ATOM 1231 CB ASN A 68 2.425 14.668 28.922 1.00 0.00 C ATOM 1232 CG ASN A 68 1.919 14.906 30.331 1.00 0.00 C ATOM 1233 OD1 ASN A 68 2.521 14.453 31.303 1.00 0.00 O ATOM 1234 ND2 ASN A 68 0.806 15.623 30.447 1.00 0.00 N ATOM 1235 OXT ASN A 68 -0.300 12.392 28.480 1.00 0.00 O ATOM 0 H ASN A 68 2.764 14.013 26.527 1.00 0.00 H new ATOM 0 HA ASN A 68 2.159 12.537 28.936 1.00 0.00 H new ATOM 0 HB2 ASN A 68 3.514 14.618 28.933 1.00 0.00 H new ATOM 0 HB3 ASN A 68 2.151 15.515 28.292 1.00 0.00 H new ATOM 0 HD21 ASN A 68 0.418 15.817 31.370 1.00 0.00 H new ATOM 0 HD22 ASN A 68 0.340 15.979 29.613 1.00 0.00 H new TER 1242 ASN A 68