USER MOD reduce.3.24.130724 H: found=0, std=0, add=829, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 0 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 74 SER OG : rot -117:sc= 0.174 USER MOD Set 1.2: A 86 SER OG : rot 49:sc= 0.288 USER MOD Set 2.1: A 7 SER OG : rot 130:sc= 0 USER MOD Set 2.2: A 75 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 1 ALA N :NH3+ -140:sc= -0.0345 (180deg=-1.84!) USER MOD Set 3.2: A 72 SER OG : rot 113:sc= 0.172 USER MOD Set 4.1: A 60 SER OG : rot -25:sc= 0.489 USER MOD Set 4.2: A 89 ASN : amide:sc= 0.455 K(o=0.94,f=-0.39) USER MOD Set 5.1: A 25 TYR OH : rot -100:sc= 0.708 USER MOD Set 5.2: A 111 TYR OH : rot -164:sc= 1.26 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0.036) USER MOD Single : A 8 MET CE :methyl -174:sc= -5.96! (180deg=-6.15!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS :FLIP no HD1:sc= -0.596 F(o=-1.6,f=-0.6) USER MOD Single : A 20 MET CE :methyl -115:sc= -0.189 (180deg=-2.3) USER MOD Single : A 23 ASN : amide:sc= -0.39 K(o=-0.39,f=-2.7!) USER MOD Single : A 24 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 28 TYR OH : rot 155:sc= -0.16 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HE2:sc= -1.28 K(o=-1.3,f=-1.8!) USER MOD Single : A 50 ASN : amide:sc= 0.102 K(o=0.1,f=-1.2) USER MOD Single : A 52 TYR OH : rot -38:sc= -1.89 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 69 TYR OH : rot -39:sc= 0.365 USER MOD Single : A 70 THR OG1 : rot -62:sc= 0.953 USER MOD Single : A 73 TYR OH : rot -94:sc= 0.876 USER MOD Single : A 76 SER OG : rot 180:sc= -0.206 USER MOD Single : A 78 SER OG : rot 180:sc= 0.022 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.909 K(o=-0.91,f=-1.5) USER MOD Single : A 87 LYS NZ :NH3+ 176:sc= 0.227 (180deg=0.219) USER MOD Single : A 88 ASN : amide:sc= -0.0472 K(o=-0.047,f=-1.2) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 101 ASN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 107 SER OG : rot 121:sc= 1.19 USER MOD Single : A 108 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.178) USER MOD Single : A 112 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 HIS :FLIP no HD1:sc= -1.73 F(o=-2.7,f=-1.7) USER MOD Single : A 116 LYS NZ :NH3+ 139:sc= 0.201 (180deg=-0.844) USER MOD Single : A 117 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 120 THR OG1 : rot -56:sc= 0.386 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 TYR OH : rot 180:sc=-0.00598 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -7.392 1.726 3.655 1.00 0.00 N ATOM 2 CA ALA A 1 -6.815 2.811 4.452 1.00 0.00 C ATOM 3 C ALA A 1 -5.317 2.593 4.729 1.00 0.00 C ATOM 4 O ALA A 1 -4.844 1.500 5.047 1.00 0.00 O ATOM 5 CB ALA A 1 -7.560 2.953 5.766 1.00 0.00 C ATOM 0 H1 ALA A 1 -8.054 2.122 2.958 1.00 0.00 H new ATOM 0 H2 ALA A 1 -6.632 1.217 3.160 1.00 0.00 H new ATOM 0 H3 ALA A 1 -7.900 1.068 4.280 1.00 0.00 H new ATOM 0 HA ALA A 1 -6.918 3.727 3.869 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -7.120 3.763 6.348 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -8.608 3.176 5.568 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -7.487 2.022 6.328 1.00 0.00 H new ATOM 6 N LEU A 2 -4.616 3.717 4.644 1.00 0.00 N ATOM 7 CA LEU A 2 -3.150 3.810 4.667 1.00 0.00 C ATOM 8 C LEU A 2 -2.602 3.998 6.072 1.00 0.00 C ATOM 9 O LEU A 2 -1.764 3.199 6.439 1.00 0.00 O ATOM 10 CB LEU A 2 -2.853 4.960 3.704 1.00 0.00 C ATOM 11 CG LEU A 2 -1.444 5.283 3.232 1.00 0.00 C ATOM 12 CD1 LEU A 2 -0.617 6.125 4.175 1.00 0.00 C ATOM 13 CD2 LEU A 2 -0.714 4.029 2.805 1.00 0.00 C ATOM 0 H LEU A 2 -5.065 4.628 4.553 1.00 0.00 H new ATOM 0 HA LEU A 2 -2.650 2.894 4.352 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -3.449 4.780 2.809 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -3.242 5.866 4.169 1.00 0.00 H new ATOM 0 HG LEU A 2 -1.582 5.927 2.364 1.00 0.00 H new ATOM 0 HD11 LEU A 2 0.368 6.296 3.741 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -1.112 7.082 4.338 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -0.509 5.606 5.127 1.00 0.00 H new ATOM 0 HD21 LEU A 2 0.291 4.289 2.472 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -0.651 3.340 3.647 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -1.256 3.553 1.987 1.00 0.00 H new ATOM 14 N TRP A 3 -3.042 4.993 6.859 1.00 0.00 N ATOM 15 CA TRP A 3 -2.729 5.079 8.317 1.00 0.00 C ATOM 16 C TRP A 3 -3.150 3.821 9.129 1.00 0.00 C ATOM 17 O TRP A 3 -2.397 3.382 10.002 1.00 0.00 O ATOM 18 CB TRP A 3 -3.322 6.372 8.949 1.00 0.00 C ATOM 19 CG TRP A 3 -4.894 6.458 9.057 1.00 0.00 C ATOM 20 CD1 TRP A 3 -5.681 5.937 10.118 1.00 0.00 C ATOM 21 CD2 TRP A 3 -5.820 6.693 8.039 1.00 0.00 C ATOM 22 NE1 TRP A 3 -7.047 5.888 9.814 1.00 0.00 N ATOM 23 CE2 TRP A 3 -7.107 6.287 8.503 1.00 0.00 C ATOM 24 CE3 TRP A 3 -5.612 6.933 6.654 1.00 0.00 C ATOM 25 CZ2 TRP A 3 -8.151 6.060 7.569 1.00 0.00 C ATOM 26 CZ3 TRP A 3 -6.649 6.706 5.764 1.00 0.00 C ATOM 27 CH2 TRP A 3 -7.910 6.283 6.220 1.00 0.00 C ATOM 0 H TRP A 3 -3.621 5.760 6.518 1.00 0.00 H new ATOM 0 HA TRP A 3 -1.642 5.124 8.378 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -2.907 6.481 9.951 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -2.975 7.225 8.365 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -5.269 5.612 11.062 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -7.818 5.618 10.425 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -4.656 7.288 6.299 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 -9.120 5.718 7.903 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 -6.487 6.856 4.707 1.00 0.00 H new ATOM 0 HH2 TRP A 3 -8.706 6.129 5.507 1.00 0.00 H new ATOM 28 N GLN A 4 -4.336 3.262 8.809 1.00 0.00 N ATOM 29 CA GLN A 4 -4.810 2.005 9.391 1.00 0.00 C ATOM 30 C GLN A 4 -4.060 0.751 8.881 1.00 0.00 C ATOM 31 O GLN A 4 -4.028 -0.196 9.667 1.00 0.00 O ATOM 32 CB GLN A 4 -6.338 1.857 9.245 1.00 0.00 C ATOM 33 CG GLN A 4 -7.126 2.348 10.475 1.00 0.00 C ATOM 34 CD GLN A 4 -8.634 2.411 10.229 1.00 0.00 C ATOM 35 OE1 GLN A 4 -9.112 3.156 9.374 1.00 0.00 O ATOM 36 NE2 GLN A 4 -9.419 1.646 10.969 1.00 0.00 N ATOM 0 H GLN A 4 -4.986 3.675 8.140 1.00 0.00 H new ATOM 0 HA GLN A 4 -4.574 2.067 10.453 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -6.666 2.414 8.368 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -6.578 0.809 9.065 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -6.928 1.684 11.316 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -6.768 3.338 10.759 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -9.014 1.032 11.675 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -10.430 1.670 10.833 1.00 0.00 H new ATOM 37 N PHE A 5 -3.484 0.703 7.640 1.00 0.00 N ATOM 38 CA PHE A 5 -2.506 -0.358 7.291 1.00 0.00 C ATOM 39 C PHE A 5 -1.046 0.047 7.589 1.00 0.00 C ATOM 40 O PHE A 5 -0.182 -0.800 7.423 1.00 0.00 O ATOM 41 CB PHE A 5 -2.829 -1.068 5.968 1.00 0.00 C ATOM 42 CG PHE A 5 -1.997 -0.816 4.716 1.00 0.00 C ATOM 43 CD1 PHE A 5 -1.590 0.466 4.360 1.00 0.00 C ATOM 44 CD2 PHE A 5 -1.573 -1.885 3.924 1.00 0.00 C ATOM 45 CE1 PHE A 5 -0.828 0.678 3.217 1.00 0.00 C ATOM 46 CE2 PHE A 5 -0.837 -1.666 2.761 1.00 0.00 C ATOM 47 CZ PHE A 5 -0.519 -0.372 2.369 1.00 0.00 C ATOM 0 H PHE A 5 -3.677 1.368 6.891 1.00 0.00 H new ATOM 0 HA PHE A 5 -2.629 -1.186 7.989 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -2.793 -2.140 6.164 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -3.862 -0.824 5.719 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -1.869 1.306 4.979 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -1.819 -2.895 4.217 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -0.473 1.672 2.988 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -0.513 -2.505 2.163 1.00 0.00 H new ATOM 0 HZ PHE A 5 -0.039 -0.188 1.419 1.00 0.00 H new ATOM 48 N ARG A 6 -0.764 1.282 8.051 1.00 0.00 N ATOM 49 CA ARG A 6 0.506 1.625 8.752 1.00 0.00 C ATOM 50 C ARG A 6 0.499 1.412 10.318 1.00 0.00 C ATOM 51 O ARG A 6 1.284 1.943 11.102 1.00 0.00 O ATOM 52 CB ARG A 6 0.966 2.993 8.297 1.00 0.00 C ATOM 53 CG ARG A 6 1.321 3.137 6.803 1.00 0.00 C ATOM 54 CD ARG A 6 1.602 1.915 5.923 1.00 0.00 C ATOM 55 NE ARG A 6 1.743 2.214 4.501 1.00 0.00 N ATOM 56 CZ ARG A 6 2.699 1.852 3.631 1.00 0.00 C ATOM 57 NH1 ARG A 6 3.881 1.365 3.957 1.00 0.00 N ATOM 58 NH2 ARG A 6 2.459 2.026 2.351 1.00 0.00 N ATOM 0 H ARG A 6 -1.402 2.072 7.953 1.00 0.00 H new ATOM 0 HA ARG A 6 1.256 0.893 8.453 1.00 0.00 H new ATOM 0 HB2 ARG A 6 0.182 3.713 8.532 1.00 0.00 H new ATOM 0 HB3 ARG A 6 1.841 3.272 8.884 1.00 0.00 H new ATOM 0 HG2 ARG A 6 0.502 3.682 6.334 1.00 0.00 H new ATOM 0 HG3 ARG A 6 2.202 3.776 6.748 1.00 0.00 H new ATOM 0 HD2 ARG A 6 2.515 1.433 6.273 1.00 0.00 H new ATOM 0 HD3 ARG A 6 0.793 1.196 6.052 1.00 0.00 H new ATOM 0 HE ARG A 6 0.998 2.788 4.107 1.00 0.00 H new ATOM 0 HH11 ARG A 6 4.127 1.238 4.939 1.00 0.00 H new ATOM 0 HH12 ARG A 6 4.549 1.116 3.227 1.00 0.00 H new ATOM 0 HH21 ARG A 6 1.570 2.424 2.048 1.00 0.00 H new ATOM 0 HH22 ARG A 6 3.162 1.763 1.660 1.00 0.00 H new ATOM 59 N SER A 7 -0.420 0.522 10.639 1.00 0.00 N ATOM 60 CA SER A 7 -0.389 -0.393 11.781 1.00 0.00 C ATOM 61 C SER A 7 0.264 -1.712 11.310 1.00 0.00 C ATOM 62 O SER A 7 1.285 -2.125 11.861 1.00 0.00 O ATOM 63 CB SER A 7 -1.788 -0.519 12.410 1.00 0.00 C ATOM 64 OG SER A 7 -1.760 -1.367 13.554 1.00 0.00 O ATOM 0 H SER A 7 -1.264 0.405 10.079 1.00 0.00 H new ATOM 0 HA SER A 7 0.225 -0.018 12.599 1.00 0.00 H new ATOM 0 HB2 SER A 7 -2.153 0.468 12.694 1.00 0.00 H new ATOM 0 HB3 SER A 7 -2.487 -0.918 11.674 1.00 0.00 H new ATOM 0 HG SER A 7 -2.200 -0.917 14.305 1.00 0.00 H new ATOM 65 N MET A 8 -0.371 -2.349 10.326 1.00 0.00 N ATOM 66 CA MET A 8 -0.127 -3.761 9.981 1.00 0.00 C ATOM 67 C MET A 8 0.734 -4.086 8.765 1.00 0.00 C ATOM 68 O MET A 8 0.946 -5.260 8.469 1.00 0.00 O ATOM 69 CB MET A 8 -1.391 -4.591 10.148 1.00 0.00 C ATOM 70 CG MET A 8 -2.410 -4.034 11.127 1.00 0.00 C ATOM 71 SD MET A 8 -3.532 -2.856 10.348 1.00 0.00 S ATOM 72 CE MET A 8 -3.667 -3.293 8.608 1.00 0.00 C ATOM 0 H MET A 8 -1.075 -1.902 9.738 1.00 0.00 H new ATOM 0 HA MET A 8 0.589 -4.092 10.733 1.00 0.00 H new ATOM 0 HB2 MET A 8 -1.868 -4.696 9.174 1.00 0.00 H new ATOM 0 HB3 MET A 8 -1.108 -5.592 10.474 1.00 0.00 H new ATOM 0 HG2 MET A 8 -2.987 -4.854 11.554 1.00 0.00 H new ATOM 0 HG3 MET A 8 -1.890 -3.547 11.952 1.00 0.00 H new ATOM 0 HE1 MET A 8 -4.254 -2.536 8.087 1.00 0.00 H new ATOM 0 HE2 MET A 8 -2.671 -3.346 8.168 1.00 0.00 H new ATOM 0 HE3 MET A 8 -4.158 -4.262 8.513 1.00 0.00 H new ATOM 73 N ILE A 9 1.272 -3.073 8.073 1.00 0.00 N ATOM 74 CA ILE A 9 2.494 -3.205 7.251 1.00 0.00 C ATOM 75 C ILE A 9 3.645 -3.527 8.224 1.00 0.00 C ATOM 76 O ILE A 9 4.134 -4.642 8.153 1.00 0.00 O ATOM 77 CB ILE A 9 2.613 -1.983 6.315 1.00 0.00 C ATOM 78 CG1 ILE A 9 2.030 -2.453 4.954 1.00 0.00 C ATOM 79 CG2 ILE A 9 3.995 -1.396 6.025 1.00 0.00 C ATOM 80 CD1 ILE A 9 1.960 -1.324 3.992 1.00 0.00 C ATOM 0 H ILE A 9 0.875 -2.134 8.064 1.00 0.00 H new ATOM 0 HA ILE A 9 2.497 -4.029 6.538 1.00 0.00 H new ATOM 0 HB ILE A 9 2.100 -1.176 6.837 1.00 0.00 H new ATOM 0 HG12 ILE A 9 2.651 -3.249 4.543 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.035 -2.871 5.104 1.00 0.00 H new ATOM 0 HG21 ILE A 9 3.895 -0.545 5.351 1.00 0.00 H new ATOM 0 HG22 ILE A 9 4.454 -1.068 6.958 1.00 0.00 H new ATOM 0 HG23 ILE A 9 4.623 -2.156 5.559 1.00 0.00 H new ATOM 0 HD11 ILE A 9 1.549 -1.677 3.046 1.00 0.00 H new ATOM 0 HD12 ILE A 9 1.319 -0.540 4.397 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.961 -0.925 3.826 1.00 0.00 H new ATOM 81 N LYS A 10 3.948 -2.633 9.170 1.00 0.00 N ATOM 82 CA LYS A 10 4.873 -2.829 10.301 1.00 0.00 C ATOM 83 C LYS A 10 4.549 -3.970 11.273 1.00 0.00 C ATOM 84 O LYS A 10 5.500 -4.443 11.890 1.00 0.00 O ATOM 85 CB LYS A 10 4.707 -1.410 10.877 1.00 0.00 C ATOM 86 CG LYS A 10 5.437 -1.081 12.156 1.00 0.00 C ATOM 87 CD LYS A 10 4.624 -1.515 13.367 1.00 0.00 C ATOM 88 CE LYS A 10 5.080 -0.953 14.714 1.00 0.00 C ATOM 89 NZ LYS A 10 6.379 -1.495 15.159 1.00 0.00 N ATOM 0 H LYS A 10 3.534 -1.701 9.171 1.00 0.00 H new ATOM 0 HA LYS A 10 5.880 -3.159 10.045 1.00 0.00 H new ATOM 0 HB2 LYS A 10 5.028 -0.699 10.115 1.00 0.00 H new ATOM 0 HB3 LYS A 10 3.644 -1.239 11.044 1.00 0.00 H new ATOM 0 HG2 LYS A 10 6.407 -1.579 12.165 1.00 0.00 H new ATOM 0 HG3 LYS A 10 5.629 -0.009 12.206 1.00 0.00 H new ATOM 0 HD2 LYS A 10 3.586 -1.224 13.207 1.00 0.00 H new ATOM 0 HD3 LYS A 10 4.645 -2.603 13.423 1.00 0.00 H new ATOM 0 HE2 LYS A 10 5.151 0.132 14.642 1.00 0.00 H new ATOM 0 HE3 LYS A 10 4.324 -1.174 15.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 6.634 -1.077 16.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 6.309 -2.528 15.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 7.111 -1.263 14.458 1.00 0.00 H new ATOM 90 N CYS A 11 3.277 -4.363 11.497 1.00 0.00 N ATOM 91 CA CYS A 11 2.955 -5.629 12.219 1.00 0.00 C ATOM 92 C CYS A 11 3.219 -6.871 11.315 1.00 0.00 C ATOM 93 O CYS A 11 3.732 -7.861 11.833 1.00 0.00 O ATOM 94 CB CYS A 11 1.608 -5.556 12.945 1.00 0.00 C ATOM 95 SG CYS A 11 0.371 -6.698 12.358 1.00 0.00 S ATOM 0 H CYS A 11 2.459 -3.834 11.195 1.00 0.00 H new ATOM 0 HA CYS A 11 3.649 -5.768 13.048 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.774 -5.739 14.007 1.00 0.00 H new ATOM 0 HB3 CYS A 11 1.218 -4.542 12.853 1.00 0.00 H new ATOM 96 N ALA A 12 2.982 -6.784 9.978 1.00 0.00 N ATOM 97 CA ALA A 12 3.612 -7.684 8.971 1.00 0.00 C ATOM 98 C ALA A 12 5.155 -7.829 9.022 1.00 0.00 C ATOM 99 O ALA A 12 5.681 -8.897 8.699 1.00 0.00 O ATOM 100 CB ALA A 12 3.057 -7.432 7.567 1.00 0.00 C ATOM 0 H ALA A 12 2.353 -6.093 9.569 1.00 0.00 H new ATOM 0 HA ALA A 12 3.302 -8.682 9.280 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.539 -8.106 6.859 1.00 0.00 H new ATOM 0 HB2 ALA A 12 1.982 -7.610 7.563 1.00 0.00 H new ATOM 0 HB3 ALA A 12 3.254 -6.400 7.278 1.00 0.00 H new ATOM 101 N ILE A 13 5.850 -6.799 9.493 1.00 0.00 N ATOM 102 CA ILE A 13 7.294 -6.801 9.756 1.00 0.00 C ATOM 103 C ILE A 13 7.398 -7.119 11.314 1.00 0.00 C ATOM 104 O ILE A 13 6.473 -6.815 12.076 1.00 0.00 O ATOM 105 CB ILE A 13 7.773 -5.345 9.420 1.00 0.00 C ATOM 106 CG1 ILE A 13 7.224 -4.622 8.163 1.00 0.00 C ATOM 107 CG2 ILE A 13 9.278 -5.128 9.325 1.00 0.00 C ATOM 108 CD1 ILE A 13 7.107 -5.415 6.898 1.00 0.00 C ATOM 0 H ILE A 13 5.412 -5.904 9.712 1.00 0.00 H new ATOM 0 HA ILE A 13 7.892 -7.512 9.186 1.00 0.00 H new ATOM 0 HB ILE A 13 7.327 -4.911 10.315 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.236 -4.231 8.406 1.00 0.00 H new ATOM 0 HG13 ILE A 13 7.866 -3.764 7.963 1.00 0.00 H new ATOM 0 HG21 ILE A 13 9.481 -4.084 9.088 1.00 0.00 H new ATOM 0 HG22 ILE A 13 9.743 -5.381 10.278 1.00 0.00 H new ATOM 0 HG23 ILE A 13 9.689 -5.764 8.541 1.00 0.00 H new ATOM 0 HD11 ILE A 13 6.710 -4.780 6.106 1.00 0.00 H new ATOM 0 HD12 ILE A 13 8.091 -5.784 6.608 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.435 -6.258 7.058 1.00 0.00 H new ATOM 109 N PRO A 14 8.457 -7.715 11.891 1.00 0.00 N ATOM 110 CA PRO A 14 8.739 -7.637 13.405 1.00 0.00 C ATOM 111 C PRO A 14 8.793 -6.133 13.801 1.00 0.00 C ATOM 112 O PRO A 14 7.912 -5.645 14.513 1.00 0.00 O ATOM 113 CB PRO A 14 10.008 -8.497 13.565 1.00 0.00 C ATOM 114 CG PRO A 14 10.013 -9.352 12.264 1.00 0.00 C ATOM 115 CD PRO A 14 9.568 -8.345 11.184 1.00 0.00 C ATOM 0 HA PRO A 14 7.993 -8.033 14.094 1.00 0.00 H new ATOM 0 HB2 PRO A 14 10.905 -7.883 13.649 1.00 0.00 H new ATOM 0 HB3 PRO A 14 9.964 -9.120 14.458 1.00 0.00 H new ATOM 0 HG2 PRO A 14 11.002 -9.759 12.053 1.00 0.00 H new ATOM 0 HG3 PRO A 14 9.328 -10.197 12.334 1.00 0.00 H new ATOM 0 HD2 PRO A 14 10.354 -7.637 10.921 1.00 0.00 H new ATOM 0 HD3 PRO A 14 9.256 -8.831 10.260 1.00 0.00 H new ATOM 116 N GLY A 15 9.727 -5.392 13.178 1.00 0.00 N ATOM 117 CA GLY A 15 9.302 -4.168 12.472 1.00 0.00 C ATOM 118 C GLY A 15 9.445 -2.794 13.094 1.00 0.00 C ATOM 119 O GLY A 15 9.577 -2.652 14.314 1.00 0.00 O ATOM 0 H GLY A 15 10.725 -5.600 13.146 1.00 0.00 H new ATOM 0 HA2 GLY A 15 9.846 -4.144 11.528 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.247 -4.295 12.229 1.00 0.00 H new ATOM 120 N SER A 16 9.470 -1.776 12.193 1.00 0.00 N ATOM 121 CA SER A 16 9.891 -0.390 12.583 1.00 0.00 C ATOM 122 C SER A 16 8.974 0.704 11.974 1.00 0.00 C ATOM 123 O SER A 16 7.849 0.830 12.458 1.00 0.00 O ATOM 124 CB SER A 16 11.410 -0.213 12.320 1.00 0.00 C ATOM 125 OG SER A 16 12.185 -1.083 13.141 1.00 0.00 O ATOM 0 H SER A 16 9.211 -1.877 11.212 1.00 0.00 H new ATOM 0 HA SER A 16 9.751 -0.253 13.655 1.00 0.00 H new ATOM 0 HB2 SER A 16 11.625 -0.414 11.270 1.00 0.00 H new ATOM 0 HB3 SER A 16 11.696 0.821 12.512 1.00 0.00 H new ATOM 0 HG SER A 16 13.137 -0.950 12.951 1.00 0.00 H new ATOM 126 N HIS A 17 9.418 1.517 10.983 1.00 0.00 N ATOM 127 CA HIS A 17 8.542 2.495 10.270 1.00 0.00 C ATOM 128 C HIS A 17 7.687 1.690 9.235 1.00 0.00 C ATOM 129 O HIS A 17 8.284 1.001 8.401 1.00 0.00 O ATOM 130 CB HIS A 17 9.191 3.743 9.561 1.00 0.00 C ATOM 131 CG HIS A 17 10.663 3.666 9.278 1.00 0.00 C ATOM 132 ND1 HIS A 17 11.100 2.710 8.388 1.00 0.00 N flip ATOM 133 CD2 HIS A 17 11.714 4.258 9.965 1.00 0.00 C flip ATOM 134 CE1 HIS A 17 12.462 2.616 8.417 1.00 0.00 C flip ATOM 135 NE2 HIS A 17 12.739 3.568 9.364 1.00 0.00 N flip ATOM 0 H HIS A 17 10.384 1.518 10.654 1.00 0.00 H new ATOM 0 HA HIS A 17 7.972 2.970 11.069 1.00 0.00 H new ATOM 0 HB2 HIS A 17 8.671 3.907 8.617 1.00 0.00 H new ATOM 0 HB3 HIS A 17 9.009 4.620 10.182 1.00 0.00 H new ATOM 0 HD2 HIS A 17 11.723 5.020 10.730 1.00 0.00 H new ATOM 0 HE1 HIS A 17 13.128 1.977 7.856 1.00 0.00 H new ATOM 0 HE2 HIS A 17 13.706 3.764 9.622 1.00 0.00 H new ATOM 136 N PRO A 18 6.333 1.751 9.224 1.00 0.00 N ATOM 137 CA PRO A 18 5.495 1.097 8.173 1.00 0.00 C ATOM 138 C PRO A 18 5.813 1.613 6.766 1.00 0.00 C ATOM 139 O PRO A 18 6.269 0.823 5.939 1.00 0.00 O ATOM 140 CB PRO A 18 4.047 1.316 8.624 1.00 0.00 C ATOM 141 CG PRO A 18 4.096 1.969 10.013 1.00 0.00 C ATOM 142 CD PRO A 18 5.533 2.399 10.265 1.00 0.00 C ATOM 0 HA PRO A 18 5.701 0.031 8.081 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.517 1.955 7.918 1.00 0.00 H new ATOM 0 HB3 PRO A 18 3.509 0.369 8.663 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.426 2.827 10.057 1.00 0.00 H new ATOM 0 HG3 PRO A 18 3.766 1.267 10.779 1.00 0.00 H new ATOM 0 HD2 PRO A 18 5.631 3.483 10.215 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.864 2.095 11.258 1.00 0.00 H new ATOM 143 N LEU A 19 5.693 2.936 6.543 1.00 0.00 N ATOM 144 CA LEU A 19 6.272 3.623 5.384 1.00 0.00 C ATOM 145 C LEU A 19 7.789 3.707 5.524 1.00 0.00 C ATOM 146 O LEU A 19 8.408 2.667 5.706 1.00 0.00 O ATOM 147 CB LEU A 19 5.464 4.953 5.242 1.00 0.00 C ATOM 148 CG LEU A 19 4.355 4.824 4.234 1.00 0.00 C ATOM 149 CD1 LEU A 19 3.316 5.913 4.498 1.00 0.00 C ATOM 150 CD2 LEU A 19 4.829 5.054 2.813 1.00 0.00 C ATOM 0 H LEU A 19 5.186 3.559 7.171 1.00 0.00 H new ATOM 0 HA LEU A 19 6.173 3.098 4.434 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.046 5.230 6.210 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.136 5.757 4.943 1.00 0.00 H new ATOM 0 HG LEU A 19 3.961 3.813 4.335 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.507 5.828 3.772 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.914 5.796 5.504 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.785 6.893 4.406 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.988 4.949 2.127 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.245 6.058 2.726 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.596 4.321 2.562 1.00 0.00 H new ATOM 151 N MET A 20 8.217 4.952 5.568 1.00 0.00 N ATOM 152 CA MET A 20 9.526 5.634 5.506 1.00 0.00 C ATOM 153 C MET A 20 10.846 4.923 5.204 1.00 0.00 C ATOM 154 O MET A 20 11.770 5.511 4.641 1.00 0.00 O ATOM 155 CB MET A 20 9.412 6.453 6.812 1.00 0.00 C ATOM 156 CG MET A 20 8.320 7.552 6.802 1.00 0.00 C ATOM 157 SD MET A 20 7.655 7.708 8.479 1.00 0.00 S ATOM 158 CE MET A 20 6.664 6.183 8.595 1.00 0.00 C ATOM 0 H MET A 20 7.503 5.673 5.671 1.00 0.00 H new ATOM 0 HA MET A 20 9.658 6.174 4.568 1.00 0.00 H new ATOM 0 HB2 MET A 20 9.210 5.769 7.636 1.00 0.00 H new ATOM 0 HB3 MET A 20 10.375 6.921 7.015 1.00 0.00 H new ATOM 0 HG2 MET A 20 8.740 8.502 6.470 1.00 0.00 H new ATOM 0 HG3 MET A 20 7.526 7.292 6.101 1.00 0.00 H new ATOM 0 HE1 MET A 20 5.609 6.441 8.686 1.00 0.00 H new ATOM 0 HE2 MET A 20 6.814 5.582 7.698 1.00 0.00 H new ATOM 0 HE3 MET A 20 6.975 5.613 9.470 1.00 0.00 H new ATOM 159 N ASP A 21 10.791 3.620 5.435 1.00 0.00 N ATOM 160 CA ASP A 21 11.345 2.620 4.479 1.00 0.00 C ATOM 161 C ASP A 21 10.561 2.418 3.138 1.00 0.00 C ATOM 162 O ASP A 21 10.979 1.566 2.350 1.00 0.00 O ATOM 163 CB ASP A 21 11.906 1.327 5.099 1.00 0.00 C ATOM 164 CG ASP A 21 10.951 0.188 5.415 1.00 0.00 C ATOM 165 OD1 ASP A 21 10.124 0.217 6.323 1.00 0.00 O ATOM 166 OD2 ASP A 21 11.118 -0.876 4.565 1.00 0.00 O ATOM 0 H ASP A 21 10.372 3.211 6.270 1.00 0.00 H new ATOM 0 HA ASP A 21 12.241 3.145 4.147 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.667 0.940 4.421 1.00 0.00 H new ATOM 0 HB3 ASP A 21 12.412 1.599 6.025 1.00 0.00 H new ATOM 167 N PHE A 22 9.489 3.190 2.852 1.00 0.00 N ATOM 168 CA PHE A 22 8.696 3.049 1.622 1.00 0.00 C ATOM 169 C PHE A 22 8.140 4.433 1.090 1.00 0.00 C ATOM 170 O PHE A 22 7.839 4.506 -0.099 1.00 0.00 O ATOM 171 CB PHE A 22 7.574 2.041 1.869 1.00 0.00 C ATOM 172 CG PHE A 22 7.954 0.584 2.186 1.00 0.00 C ATOM 173 CD1 PHE A 22 8.054 0.210 3.538 1.00 0.00 C ATOM 174 CD2 PHE A 22 7.979 -0.423 1.210 1.00 0.00 C ATOM 175 CE1 PHE A 22 7.904 -1.119 3.913 1.00 0.00 C ATOM 176 CE2 PHE A 22 7.924 -1.761 1.590 1.00 0.00 C ATOM 177 CZ PHE A 22 7.907 -2.105 2.937 1.00 0.00 C ATOM 0 H PHE A 22 9.153 3.927 3.472 1.00 0.00 H new ATOM 0 HA PHE A 22 9.348 2.678 0.831 1.00 0.00 H new ATOM 0 HB2 PHE A 22 6.970 2.414 2.696 1.00 0.00 H new ATOM 0 HB3 PHE A 22 6.935 2.033 0.986 1.00 0.00 H new ATOM 0 HD1 PHE A 22 8.249 0.961 4.289 1.00 0.00 H new ATOM 0 HD2 PHE A 22 8.041 -0.160 0.164 1.00 0.00 H new ATOM 0 HE1 PHE A 22 7.786 -1.382 4.954 1.00 0.00 H new ATOM 0 HE2 PHE A 22 7.894 -2.534 0.836 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.896 -3.146 3.225 1.00 0.00 H new ATOM 178 N ASN A 23 8.027 5.507 1.912 1.00 0.00 N ATOM 179 CA ASN A 23 7.630 6.902 1.477 1.00 0.00 C ATOM 180 C ASN A 23 8.355 7.432 0.209 1.00 0.00 C ATOM 181 O ASN A 23 7.735 7.809 -0.787 1.00 0.00 O ATOM 182 CB ASN A 23 7.866 7.771 2.755 1.00 0.00 C ATOM 183 CG ASN A 23 7.726 9.292 2.713 1.00 0.00 C ATOM 184 OD1 ASN A 23 8.093 9.971 1.755 1.00 0.00 O ATOM 185 ND2 ASN A 23 7.295 9.892 3.806 1.00 0.00 N ATOM 0 H ASN A 23 8.208 5.444 2.914 1.00 0.00 H new ATOM 0 HA ASN A 23 6.595 6.931 1.137 1.00 0.00 H new ATOM 0 HB2 ASN A 23 7.177 7.409 3.518 1.00 0.00 H new ATOM 0 HB3 ASN A 23 8.875 7.553 3.106 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.268 10.911 3.852 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.989 9.337 4.605 1.00 0.00 H new ATOM 186 N ASN A 24 9.673 7.442 0.342 1.00 0.00 N ATOM 187 CA ASN A 24 10.632 7.807 -0.710 1.00 0.00 C ATOM 188 C ASN A 24 11.399 6.493 -1.005 1.00 0.00 C ATOM 189 O ASN A 24 12.384 6.156 -0.340 1.00 0.00 O ATOM 190 CB ASN A 24 11.566 8.914 -0.178 1.00 0.00 C ATOM 191 CG ASN A 24 10.992 10.335 -0.174 1.00 0.00 C ATOM 192 OD1 ASN A 24 9.918 10.627 -0.703 1.00 0.00 O ATOM 193 ND2 ASN A 24 11.714 11.264 0.427 1.00 0.00 N ATOM 0 H ASN A 24 10.130 7.187 1.218 1.00 0.00 H new ATOM 0 HA ASN A 24 10.167 8.200 -1.614 1.00 0.00 H new ATOM 0 HB2 ASN A 24 11.856 8.658 0.841 1.00 0.00 H new ATOM 0 HB3 ASN A 24 12.476 8.913 -0.778 1.00 0.00 H new ATOM 0 HD21 ASN A 24 11.383 12.228 0.455 1.00 0.00 H new ATOM 0 HD22 ASN A 24 12.602 11.017 0.863 1.00 0.00 H new ATOM 194 N TYR A 25 10.866 5.728 -1.966 1.00 0.00 N ATOM 195 CA TYR A 25 11.335 4.353 -2.257 1.00 0.00 C ATOM 196 C TYR A 25 10.766 3.982 -3.639 1.00 0.00 C ATOM 197 O TYR A 25 9.546 3.982 -3.816 1.00 0.00 O ATOM 198 CB TYR A 25 10.800 3.395 -1.179 1.00 0.00 C ATOM 199 CG TYR A 25 11.437 2.017 -1.157 1.00 0.00 C ATOM 200 CD1 TYR A 25 10.940 0.979 -1.959 1.00 0.00 C ATOM 201 CD2 TYR A 25 12.497 1.758 -0.278 1.00 0.00 C ATOM 202 CE1 TYR A 25 11.446 -0.310 -1.815 1.00 0.00 C ATOM 203 CE2 TYR A 25 13.057 0.487 -0.191 1.00 0.00 C ATOM 204 CZ TYR A 25 12.512 -0.556 -0.938 1.00 0.00 C ATOM 205 OH TYR A 25 13.039 -1.803 -0.847 1.00 0.00 O ATOM 0 H TYR A 25 10.100 6.036 -2.565 1.00 0.00 H new ATOM 0 HA TYR A 25 12.423 4.285 -2.257 1.00 0.00 H new ATOM 0 HB2 TYR A 25 10.943 3.858 -0.203 1.00 0.00 H new ATOM 0 HB3 TYR A 25 9.726 3.278 -1.322 1.00 0.00 H new ATOM 0 HD1 TYR A 25 10.167 1.179 -2.686 1.00 0.00 H new ATOM 0 HD2 TYR A 25 12.884 2.555 0.340 1.00 0.00 H new ATOM 0 HE1 TYR A 25 11.016 -1.123 -2.381 1.00 0.00 H new ATOM 0 HE2 TYR A 25 13.908 0.310 0.451 1.00 0.00 H new ATOM 0 HH TYR A 25 12.674 -2.255 -0.058 1.00 0.00 H new ATOM 206 N GLY A 26 11.673 3.657 -4.562 1.00 0.00 N ATOM 207 CA GLY A 26 11.422 3.454 -6.007 1.00 0.00 C ATOM 208 C GLY A 26 10.090 3.911 -6.675 1.00 0.00 C ATOM 209 O GLY A 26 9.261 3.178 -7.207 1.00 0.00 O ATOM 0 H GLY A 26 12.654 3.519 -4.319 1.00 0.00 H new ATOM 0 HA2 GLY A 26 12.231 3.951 -6.542 1.00 0.00 H new ATOM 0 HA3 GLY A 26 11.522 2.386 -6.199 1.00 0.00 H new ATOM 210 N CYS A 27 10.061 5.216 -6.574 1.00 0.00 N ATOM 211 CA CYS A 27 8.979 6.156 -6.901 1.00 0.00 C ATOM 212 C CYS A 27 8.133 6.618 -5.683 1.00 0.00 C ATOM 213 O CYS A 27 8.039 7.823 -5.431 1.00 0.00 O ATOM 214 CB CYS A 27 7.984 5.830 -8.038 1.00 0.00 C ATOM 215 SG CYS A 27 7.369 7.332 -8.831 1.00 0.00 S ATOM 0 H CYS A 27 10.878 5.716 -6.223 1.00 0.00 H new ATOM 0 HA CYS A 27 9.624 6.945 -7.288 1.00 0.00 H new ATOM 0 HB2 CYS A 27 8.473 5.199 -8.781 1.00 0.00 H new ATOM 0 HB3 CYS A 27 7.146 5.260 -7.637 1.00 0.00 H new ATOM 216 N TYR A 28 7.476 5.657 -5.010 1.00 0.00 N ATOM 217 CA TYR A 28 6.295 5.946 -4.187 1.00 0.00 C ATOM 218 C TYR A 28 6.146 5.201 -2.845 1.00 0.00 C ATOM 219 O TYR A 28 5.890 5.862 -1.836 1.00 0.00 O ATOM 220 CB TYR A 28 4.943 5.845 -4.978 1.00 0.00 C ATOM 221 CG TYR A 28 4.847 5.144 -6.333 1.00 0.00 C ATOM 222 CD1 TYR A 28 5.080 3.770 -6.490 1.00 0.00 C ATOM 223 CD2 TYR A 28 4.547 5.898 -7.475 1.00 0.00 C ATOM 224 CE1 TYR A 28 4.914 3.161 -7.729 1.00 0.00 C ATOM 225 CE2 TYR A 28 4.474 5.297 -8.727 1.00 0.00 C ATOM 226 CZ TYR A 28 4.586 3.919 -8.839 1.00 0.00 C ATOM 227 OH TYR A 28 4.330 3.302 -10.014 1.00 0.00 O ATOM 0 H TYR A 28 7.746 4.673 -5.022 1.00 0.00 H new ATOM 0 HA TYR A 28 6.508 6.980 -3.917 1.00 0.00 H new ATOM 0 HB2 TYR A 28 4.229 5.352 -4.318 1.00 0.00 H new ATOM 0 HB3 TYR A 28 4.589 6.865 -5.126 1.00 0.00 H new ATOM 0 HD1 TYR A 28 5.391 3.180 -5.641 1.00 0.00 H new ATOM 0 HD2 TYR A 28 4.370 6.959 -7.382 1.00 0.00 H new ATOM 0 HE1 TYR A 28 5.042 2.093 -7.825 1.00 0.00 H new ATOM 0 HE2 TYR A 28 4.330 5.902 -9.610 1.00 0.00 H new ATOM 0 HH TYR A 28 3.751 3.871 -10.563 1.00 0.00 H new ATOM 228 N CYS A 29 6.178 3.862 -2.906 1.00 0.00 N ATOM 229 CA CYS A 29 5.637 2.929 -1.882 1.00 0.00 C ATOM 230 C CYS A 29 4.721 3.409 -0.728 1.00 0.00 C ATOM 231 O CYS A 29 4.928 3.072 0.436 1.00 0.00 O ATOM 232 CB CYS A 29 6.673 1.856 -1.542 1.00 0.00 C ATOM 233 SG CYS A 29 6.990 0.859 -2.987 1.00 0.00 S ATOM 0 H CYS A 29 6.595 3.371 -3.697 1.00 0.00 H new ATOM 0 HA CYS A 29 4.790 2.485 -2.406 1.00 0.00 H new ATOM 0 HB2 CYS A 29 7.596 2.322 -1.199 1.00 0.00 H new ATOM 0 HB3 CYS A 29 6.310 1.230 -0.727 1.00 0.00 H new ATOM 234 N GLY A 30 3.655 4.142 -1.088 1.00 0.00 N ATOM 235 CA GLY A 30 2.679 4.654 -0.131 1.00 0.00 C ATOM 236 C GLY A 30 2.699 6.157 0.074 1.00 0.00 C ATOM 237 O GLY A 30 1.765 6.783 -0.425 1.00 0.00 O ATOM 0 H GLY A 30 3.451 4.393 -2.055 1.00 0.00 H new ATOM 0 HA2 GLY A 30 1.682 4.362 -0.462 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.850 4.170 0.831 1.00 0.00 H new ATOM 238 N LEU A 31 3.669 6.769 0.803 1.00 0.00 N ATOM 239 CA LEU A 31 3.699 8.213 1.052 1.00 0.00 C ATOM 240 C LEU A 31 4.745 8.952 0.146 1.00 0.00 C ATOM 241 O LEU A 31 5.667 9.704 0.453 1.00 0.00 O ATOM 242 CB LEU A 31 3.646 8.538 2.537 1.00 0.00 C ATOM 243 CG LEU A 31 3.659 10.030 2.857 1.00 0.00 C ATOM 244 CD1 LEU A 31 2.441 10.827 2.388 1.00 0.00 C ATOM 245 CD2 LEU A 31 3.909 10.282 4.349 1.00 0.00 C ATOM 0 H LEU A 31 4.447 6.265 1.229 1.00 0.00 H new ATOM 0 HA LEU A 31 2.772 8.669 0.705 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.745 8.096 2.961 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.495 8.066 3.030 1.00 0.00 H new ATOM 0 HG LEU A 31 4.492 10.409 2.265 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.560 11.873 2.670 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.352 10.751 1.304 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.542 10.426 2.855 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.912 11.355 4.541 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.120 9.810 4.935 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.873 9.860 4.633 1.00 0.00 H new ATOM 246 N GLY A 32 4.401 8.646 -1.067 1.00 0.00 N ATOM 247 CA GLY A 32 4.145 9.679 -2.051 1.00 0.00 C ATOM 248 C GLY A 32 4.883 9.556 -3.376 1.00 0.00 C ATOM 249 O GLY A 32 6.056 9.201 -3.365 1.00 0.00 O ATOM 0 H GLY A 32 4.288 7.692 -1.410 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.075 9.695 -2.257 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.399 10.642 -1.608 1.00 0.00 H new ATOM 250 N GLY A 33 4.225 9.850 -4.512 1.00 0.00 N ATOM 251 CA GLY A 33 4.840 9.729 -5.850 1.00 0.00 C ATOM 252 C GLY A 33 3.837 9.598 -7.015 1.00 0.00 C ATOM 253 O GLY A 33 2.618 9.657 -6.815 1.00 0.00 O ATOM 0 H GLY A 33 3.259 10.176 -4.531 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.467 10.603 -6.026 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.497 8.859 -5.855 1.00 0.00 H new ATOM 254 N SER A 34 4.365 9.415 -8.252 1.00 0.00 N ATOM 255 CA SER A 34 3.508 9.248 -9.464 1.00 0.00 C ATOM 256 C SER A 34 4.246 8.595 -10.671 1.00 0.00 C ATOM 257 O SER A 34 5.439 8.820 -10.897 1.00 0.00 O ATOM 258 CB SER A 34 2.911 10.618 -9.893 1.00 0.00 C ATOM 259 OG SER A 34 1.906 10.465 -10.893 1.00 0.00 O ATOM 0 H SER A 34 5.367 9.379 -8.440 1.00 0.00 H new ATOM 0 HA SER A 34 2.713 8.560 -9.177 1.00 0.00 H new ATOM 0 HB2 SER A 34 2.486 11.118 -9.023 1.00 0.00 H new ATOM 0 HB3 SER A 34 3.707 11.259 -10.272 1.00 0.00 H new ATOM 0 HG SER A 34 1.551 11.345 -11.138 1.00 0.00 H new ATOM 260 N GLY A 35 3.467 7.812 -11.445 1.00 0.00 N ATOM 261 CA GLY A 35 3.916 7.195 -12.703 1.00 0.00 C ATOM 262 C GLY A 35 3.903 5.658 -12.659 1.00 0.00 C ATOM 263 O GLY A 35 2.864 5.030 -12.439 1.00 0.00 O ATOM 0 H GLY A 35 2.500 7.590 -11.209 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.275 7.535 -13.516 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.926 7.538 -12.929 1.00 0.00 H new ATOM 264 N THR A 36 5.084 5.096 -12.919 1.00 0.00 N ATOM 265 CA THR A 36 5.359 3.643 -12.905 1.00 0.00 C ATOM 266 C THR A 36 6.647 3.384 -12.021 1.00 0.00 C ATOM 267 O THR A 36 7.417 4.318 -11.765 1.00 0.00 O ATOM 268 CB THR A 36 5.406 2.969 -14.315 1.00 0.00 C ATOM 269 OG1 THR A 36 5.316 3.888 -15.407 1.00 0.00 O ATOM 270 CG2 THR A 36 4.261 1.948 -14.449 1.00 0.00 C ATOM 0 H THR A 36 5.908 5.650 -13.154 1.00 0.00 H new ATOM 0 HA THR A 36 4.507 3.140 -12.447 1.00 0.00 H new ATOM 0 HB THR A 36 6.383 2.489 -14.375 1.00 0.00 H new ATOM 0 HG1 THR A 36 5.354 3.395 -16.253 1.00 0.00 H new ATOM 0 HG21 THR A 36 4.301 1.483 -15.434 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.366 1.181 -13.682 1.00 0.00 H new ATOM 0 HG23 THR A 36 3.304 2.456 -14.326 1.00 0.00 H new ATOM 271 N PRO A 37 6.901 2.159 -11.501 1.00 0.00 N ATOM 272 CA PRO A 37 7.898 1.920 -10.412 1.00 0.00 C ATOM 273 C PRO A 37 9.316 1.539 -10.882 1.00 0.00 C ATOM 274 O PRO A 37 9.713 1.814 -12.019 1.00 0.00 O ATOM 275 CB PRO A 37 7.156 0.730 -9.732 1.00 0.00 C ATOM 276 CG PRO A 37 6.696 -0.137 -10.909 1.00 0.00 C ATOM 277 CD PRO A 37 6.138 0.936 -11.835 1.00 0.00 C ATOM 0 HA PRO A 37 8.127 2.793 -9.800 1.00 0.00 H new ATOM 0 HB2 PRO A 37 7.816 0.178 -9.063 1.00 0.00 H new ATOM 0 HB3 PRO A 37 6.311 1.074 -9.135 1.00 0.00 H new ATOM 0 HG2 PRO A 37 7.518 -0.691 -11.363 1.00 0.00 H new ATOM 0 HG3 PRO A 37 5.941 -0.867 -10.617 1.00 0.00 H new ATOM 0 HD2 PRO A 37 6.269 0.662 -12.882 1.00 0.00 H new ATOM 0 HD3 PRO A 37 5.070 1.080 -11.674 1.00 0.00 H new ATOM 278 N VAL A 38 10.046 0.878 -9.969 1.00 0.00 N ATOM 279 CA VAL A 38 11.383 0.324 -10.212 1.00 0.00 C ATOM 280 C VAL A 38 11.429 -1.227 -9.909 1.00 0.00 C ATOM 281 O VAL A 38 11.749 -2.047 -10.770 1.00 0.00 O ATOM 282 CB VAL A 38 12.491 1.138 -9.448 1.00 0.00 C ATOM 283 CG1 VAL A 38 12.276 2.662 -9.348 1.00 0.00 C ATOM 284 CG2 VAL A 38 12.708 0.781 -7.951 1.00 0.00 C ATOM 0 H VAL A 38 9.713 0.711 -9.020 1.00 0.00 H new ATOM 0 HA VAL A 38 11.607 0.432 -11.273 1.00 0.00 H new ATOM 0 HB VAL A 38 13.325 0.853 -10.090 1.00 0.00 H new ATOM 0 HG11 VAL A 38 13.104 3.111 -8.800 1.00 0.00 H new ATOM 0 HG12 VAL A 38 12.229 3.089 -10.350 1.00 0.00 H new ATOM 0 HG13 VAL A 38 11.342 2.864 -8.823 1.00 0.00 H new ATOM 0 HG21 VAL A 38 13.496 1.410 -7.538 1.00 0.00 H new ATOM 0 HG22 VAL A 38 11.783 0.949 -7.399 1.00 0.00 H new ATOM 0 HG23 VAL A 38 12.997 -0.266 -7.865 1.00 0.00 H new ATOM 285 N ASP A 39 11.105 -1.522 -8.648 1.00 0.00 N ATOM 286 CA ASP A 39 11.214 -2.852 -8.013 1.00 0.00 C ATOM 287 C ASP A 39 9.992 -3.723 -8.265 1.00 0.00 C ATOM 288 O ASP A 39 8.908 -3.214 -8.564 1.00 0.00 O ATOM 289 CB ASP A 39 11.541 -2.648 -6.504 1.00 0.00 C ATOM 290 CG ASP A 39 12.341 -3.795 -5.873 1.00 0.00 C ATOM 291 OD1 ASP A 39 13.665 -3.761 -6.232 1.00 0.00 O ATOM 292 OD2 ASP A 39 11.850 -4.648 -5.137 1.00 0.00 O ATOM 0 H ASP A 39 10.743 -0.815 -8.008 1.00 0.00 H new ATOM 0 HA ASP A 39 12.029 -3.413 -8.470 1.00 0.00 H new ATOM 0 HB2 ASP A 39 12.103 -1.721 -6.388 1.00 0.00 H new ATOM 0 HB3 ASP A 39 10.607 -2.526 -5.955 1.00 0.00 H new ATOM 293 N GLU A 40 10.165 -5.056 -8.065 1.00 0.00 N ATOM 294 CA GLU A 40 9.008 -5.929 -7.768 1.00 0.00 C ATOM 295 C GLU A 40 8.117 -5.370 -6.590 1.00 0.00 C ATOM 296 O GLU A 40 6.893 -5.504 -6.618 1.00 0.00 O ATOM 297 CB GLU A 40 9.359 -7.365 -7.341 1.00 0.00 C ATOM 298 CG GLU A 40 8.323 -8.377 -7.827 1.00 0.00 C ATOM 299 CD GLU A 40 8.577 -8.935 -9.214 1.00 0.00 C ATOM 300 OE1 GLU A 40 9.303 -9.904 -9.432 1.00 0.00 O ATOM 301 OE2 GLU A 40 7.907 -8.236 -10.186 1.00 0.00 O ATOM 0 H GLU A 40 11.065 -5.534 -8.103 1.00 0.00 H new ATOM 0 HA GLU A 40 8.489 -5.942 -8.726 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.339 -7.631 -7.737 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.430 -7.413 -6.254 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.286 -9.205 -7.119 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.341 -7.904 -7.816 1.00 0.00 H new ATOM 302 N LEU A 41 8.786 -4.782 -5.575 1.00 0.00 N ATOM 303 CA LEU A 41 8.116 -4.075 -4.496 1.00 0.00 C ATOM 304 C LEU A 41 7.252 -2.896 -4.914 1.00 0.00 C ATOM 305 O LEU A 41 6.070 -2.822 -4.579 1.00 0.00 O ATOM 306 CB LEU A 41 9.058 -3.546 -3.398 1.00 0.00 C ATOM 307 CG LEU A 41 9.738 -4.623 -2.556 1.00 0.00 C ATOM 308 CD1 LEU A 41 10.920 -3.915 -1.893 1.00 0.00 C ATOM 309 CD2 LEU A 41 8.576 -5.128 -1.712 1.00 0.00 C ATOM 0 H LEU A 41 9.803 -4.792 -5.493 1.00 0.00 H new ATOM 0 HA LEU A 41 7.480 -4.873 -4.112 1.00 0.00 H new ATOM 0 HB2 LEU A 41 9.828 -2.932 -3.866 1.00 0.00 H new ATOM 0 HB3 LEU A 41 8.489 -2.894 -2.736 1.00 0.00 H new ATOM 0 HG LEU A 41 10.195 -5.500 -3.014 1.00 0.00 H new ATOM 0 HD11 LEU A 41 11.464 -4.623 -1.267 1.00 0.00 H new ATOM 0 HD12 LEU A 41 11.587 -3.523 -2.661 1.00 0.00 H new ATOM 0 HD13 LEU A 41 10.553 -3.094 -1.277 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.925 -5.919 -1.048 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.174 -4.307 -1.118 1.00 0.00 H new ATOM 0 HD23 LEU A 41 7.796 -5.520 -2.364 1.00 0.00 H new ATOM 310 N ASP A 42 7.905 -2.001 -5.654 1.00 0.00 N ATOM 311 CA ASP A 42 7.266 -0.853 -6.276 1.00 0.00 C ATOM 312 C ASP A 42 6.152 -1.203 -7.293 1.00 0.00 C ATOM 313 O ASP A 42 5.325 -0.344 -7.572 1.00 0.00 O ATOM 314 CB ASP A 42 8.360 0.123 -6.707 1.00 0.00 C ATOM 315 CG ASP A 42 9.175 0.706 -5.545 1.00 0.00 C ATOM 316 OD1 ASP A 42 8.774 1.646 -4.870 1.00 0.00 O ATOM 317 OD2 ASP A 42 10.369 0.066 -5.348 1.00 0.00 O ATOM 0 H ASP A 42 8.907 -2.058 -5.838 1.00 0.00 H new ATOM 0 HA ASP A 42 6.649 -0.319 -5.553 1.00 0.00 H new ATOM 0 HB2 ASP A 42 9.038 -0.387 -7.392 1.00 0.00 H new ATOM 0 HB3 ASP A 42 7.903 0.942 -7.262 1.00 0.00 H new ATOM 318 N ARG A 43 6.039 -2.460 -7.762 1.00 0.00 N ATOM 319 CA ARG A 43 4.852 -2.948 -8.475 1.00 0.00 C ATOM 320 C ARG A 43 3.606 -3.051 -7.549 1.00 0.00 C ATOM 321 O ARG A 43 2.553 -2.598 -8.005 1.00 0.00 O ATOM 322 CB ARG A 43 5.016 -4.387 -9.014 1.00 0.00 C ATOM 323 CG ARG A 43 6.250 -4.698 -9.819 1.00 0.00 C ATOM 324 CD ARG A 43 6.636 -3.759 -10.932 1.00 0.00 C ATOM 325 NE ARG A 43 5.480 -3.358 -11.736 1.00 0.00 N ATOM 326 CZ ARG A 43 5.551 -2.797 -12.957 1.00 0.00 C ATOM 327 NH1 ARG A 43 6.690 -2.540 -13.597 1.00 0.00 N ATOM 328 NH2 ARG A 43 4.422 -2.479 -13.557 1.00 0.00 N ATOM 0 H ARG A 43 6.770 -3.163 -7.655 1.00 0.00 H new ATOM 0 HA ARG A 43 4.727 -2.220 -9.277 1.00 0.00 H new ATOM 0 HB2 ARG A 43 4.990 -5.068 -8.164 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.147 -4.615 -9.631 1.00 0.00 H new ATOM 0 HG2 ARG A 43 7.091 -4.757 -9.128 1.00 0.00 H new ATOM 0 HG3 ARG A 43 6.123 -5.690 -10.251 1.00 0.00 H new ATOM 0 HD2 ARG A 43 7.110 -2.872 -10.511 1.00 0.00 H new ATOM 0 HD3 ARG A 43 7.374 -4.241 -11.573 1.00 0.00 H new ATOM 0 HE ARG A 43 4.553 -3.515 -11.342 1.00 0.00 H new ATOM 0 HH11 ARG A 43 7.583 -2.771 -13.162 1.00 0.00 H new ATOM 0 HH12 ARG A 43 6.670 -2.112 -14.523 1.00 0.00 H new ATOM 0 HH21 ARG A 43 3.531 -2.660 -13.095 1.00 0.00 H new ATOM 0 HH22 ARG A 43 4.439 -2.052 -14.483 1.00 0.00 H new ATOM 329 N CYS A 44 3.680 -3.634 -6.295 1.00 0.00 N ATOM 330 CA CYS A 44 2.504 -3.522 -5.387 1.00 0.00 C ATOM 331 C CYS A 44 2.242 -2.073 -4.830 1.00 0.00 C ATOM 332 O CYS A 44 1.230 -1.883 -4.169 1.00 0.00 O ATOM 333 CB CYS A 44 2.597 -4.525 -4.240 1.00 0.00 C ATOM 334 SG CYS A 44 2.887 -6.208 -4.814 1.00 0.00 S ATOM 0 H CYS A 44 4.482 -4.145 -5.925 1.00 0.00 H new ATOM 0 HA CYS A 44 1.643 -3.759 -6.012 1.00 0.00 H new ATOM 0 HB2 CYS A 44 3.403 -4.230 -3.569 1.00 0.00 H new ATOM 0 HB3 CYS A 44 1.674 -4.496 -3.661 1.00 0.00 H new ATOM 335 N CYS A 45 3.137 -1.115 -5.119 1.00 0.00 N ATOM 336 CA CYS A 45 2.968 0.325 -4.924 1.00 0.00 C ATOM 337 C CYS A 45 2.365 1.051 -6.159 1.00 0.00 C ATOM 338 O CYS A 45 1.613 2.002 -5.933 1.00 0.00 O ATOM 339 CB CYS A 45 4.346 0.942 -4.656 1.00 0.00 C ATOM 340 SG CYS A 45 5.279 -0.018 -3.466 1.00 0.00 S ATOM 0 H CYS A 45 4.048 -1.343 -5.517 1.00 0.00 H new ATOM 0 HA CYS A 45 2.276 0.452 -4.092 1.00 0.00 H new ATOM 0 HB2 CYS A 45 4.904 1.006 -5.590 1.00 0.00 H new ATOM 0 HB3 CYS A 45 4.224 1.960 -4.287 1.00 0.00 H new ATOM 341 N GLU A 46 2.668 0.660 -7.437 1.00 0.00 N ATOM 342 CA GLU A 46 1.905 1.165 -8.616 1.00 0.00 C ATOM 343 C GLU A 46 0.395 0.795 -8.517 1.00 0.00 C ATOM 344 O GLU A 46 -0.450 1.610 -8.870 1.00 0.00 O ATOM 345 CB GLU A 46 2.575 0.569 -9.878 1.00 0.00 C ATOM 346 CG GLU A 46 2.033 1.094 -11.218 1.00 0.00 C ATOM 347 CD GLU A 46 1.469 0.005 -12.125 1.00 0.00 C ATOM 348 OE1 GLU A 46 0.334 -0.569 -11.609 1.00 0.00 O ATOM 349 OE2 GLU A 46 1.979 -0.313 -13.198 1.00 0.00 O ATOM 0 H GLU A 46 3.419 0.011 -7.670 1.00 0.00 H new ATOM 0 HA GLU A 46 1.934 2.254 -8.659 1.00 0.00 H new ATOM 0 HB2 GLU A 46 3.645 0.773 -9.832 1.00 0.00 H new ATOM 0 HB3 GLU A 46 2.456 -0.514 -9.856 1.00 0.00 H new ATOM 0 HG2 GLU A 46 1.253 1.829 -11.020 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.834 1.613 -11.744 1.00 0.00 H new ATOM 350 N THR A 47 0.120 -0.408 -8.001 1.00 0.00 N ATOM 351 CA THR A 47 -1.213 -0.899 -7.639 1.00 0.00 C ATOM 352 C THR A 47 -1.665 -0.525 -6.191 1.00 0.00 C ATOM 353 O THR A 47 -2.874 -0.584 -5.979 1.00 0.00 O ATOM 354 CB THR A 47 -1.095 -2.433 -7.891 1.00 0.00 C ATOM 355 OG1 THR A 47 -0.929 -2.681 -9.290 1.00 0.00 O ATOM 356 CG2 THR A 47 -2.286 -3.267 -7.450 1.00 0.00 C ATOM 0 H THR A 47 0.852 -1.095 -7.817 1.00 0.00 H new ATOM 0 HA THR A 47 -2.003 -0.434 -8.228 1.00 0.00 H new ATOM 0 HB THR A 47 -0.240 -2.734 -7.286 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.853 -3.646 -9.444 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.097 -4.317 -7.672 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.439 -3.145 -6.378 1.00 0.00 H new ATOM 0 HG23 THR A 47 -3.178 -2.938 -7.983 1.00 0.00 H new ATOM 357 N HIS A 48 -0.818 -0.124 -5.208 1.00 0.00 N ATOM 358 CA HIS A 48 -1.336 0.588 -3.982 1.00 0.00 C ATOM 359 C HIS A 48 -1.387 2.130 -4.286 1.00 0.00 C ATOM 360 O HIS A 48 -0.651 2.959 -3.746 1.00 0.00 O ATOM 361 CB HIS A 48 -0.592 0.242 -2.668 1.00 0.00 C ATOM 362 CG HIS A 48 -1.584 0.279 -1.475 1.00 0.00 C ATOM 363 ND1 HIS A 48 -1.674 1.312 -0.537 1.00 0.00 N ATOM 364 CD2 HIS A 48 -2.626 -0.645 -1.272 1.00 0.00 C ATOM 365 CE1 HIS A 48 -2.773 0.884 0.142 1.00 0.00 C ATOM 366 NE2 HIS A 48 -3.485 -0.167 -0.322 1.00 0.00 N ATOM 0 H HIS A 48 0.192 -0.268 -5.224 1.00 0.00 H new ATOM 0 HA HIS A 48 -2.344 0.224 -3.782 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -0.139 -0.746 -2.745 1.00 0.00 H new ATOM 0 HB3 HIS A 48 0.218 0.952 -2.501 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -1.091 2.138 -0.402 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -2.731 -1.588 -1.788 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -3.076 1.383 1.050 1.00 0.00 H new ATOM 367 N ASP A 49 -2.316 2.400 -5.201 1.00 0.00 N ATOM 368 CA ASP A 49 -2.507 3.621 -5.984 1.00 0.00 C ATOM 369 C ASP A 49 -3.540 3.131 -7.093 1.00 0.00 C ATOM 370 O ASP A 49 -4.608 3.730 -7.157 1.00 0.00 O ATOM 371 CB ASP A 49 -1.248 4.096 -6.723 1.00 0.00 C ATOM 372 CG ASP A 49 -0.298 5.022 -5.985 1.00 0.00 C ATOM 373 OD1 ASP A 49 -0.651 5.826 -5.122 1.00 0.00 O ATOM 374 OD2 ASP A 49 1.000 4.862 -6.401 1.00 0.00 O ATOM 0 H ASP A 49 -3.022 1.702 -5.436 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.808 4.451 -5.344 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.686 3.213 -7.027 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.566 4.601 -7.635 1.00 0.00 H new ATOM 375 N ASN A 50 -3.224 2.089 -7.929 1.00 0.00 N ATOM 376 CA ASN A 50 -4.111 1.614 -9.017 1.00 0.00 C ATOM 377 C ASN A 50 -5.265 0.650 -8.653 1.00 0.00 C ATOM 378 O ASN A 50 -6.304 0.704 -9.318 1.00 0.00 O ATOM 379 CB ASN A 50 -3.399 1.218 -10.326 1.00 0.00 C ATOM 380 CG ASN A 50 -2.660 2.365 -11.034 1.00 0.00 C ATOM 381 OD1 ASN A 50 -3.099 3.514 -11.068 1.00 0.00 O ATOM 382 ND2 ASN A 50 -1.519 2.074 -11.625 1.00 0.00 N ATOM 0 H ASN A 50 -2.351 1.566 -7.859 1.00 0.00 H new ATOM 0 HA ASN A 50 -4.636 2.548 -9.218 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -2.684 0.425 -10.108 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -4.137 0.802 -11.012 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -0.997 2.802 -12.112 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -1.158 1.121 -11.595 1.00 0.00 H new ATOM 383 N CYS A 51 -5.111 -0.220 -7.652 1.00 0.00 N ATOM 384 CA CYS A 51 -6.275 -0.749 -6.907 1.00 0.00 C ATOM 385 C CYS A 51 -6.624 0.086 -5.632 1.00 0.00 C ATOM 386 O CYS A 51 -7.530 -0.357 -4.917 1.00 0.00 O ATOM 387 CB CYS A 51 -6.133 -2.254 -6.620 1.00 0.00 C ATOM 388 SG CYS A 51 -4.813 -2.736 -5.500 1.00 0.00 S ATOM 0 H CYS A 51 -4.208 -0.574 -7.336 1.00 0.00 H new ATOM 0 HA CYS A 51 -7.138 -0.635 -7.563 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -7.077 -2.614 -6.210 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -5.981 -2.769 -7.568 1.00 0.00 H new ATOM 389 N TYR A 52 -5.973 1.257 -5.328 1.00 0.00 N ATOM 390 CA TYR A 52 -6.303 2.016 -4.070 1.00 0.00 C ATOM 391 C TYR A 52 -7.403 3.071 -4.292 1.00 0.00 C ATOM 392 O TYR A 52 -8.319 3.224 -3.481 1.00 0.00 O ATOM 393 CB TYR A 52 -5.052 2.665 -3.426 1.00 0.00 C ATOM 394 CG TYR A 52 -5.036 3.001 -1.946 1.00 0.00 C ATOM 395 CD1 TYR A 52 -6.080 2.583 -1.130 1.00 0.00 C ATOM 396 CD2 TYR A 52 -3.930 3.669 -1.352 1.00 0.00 C ATOM 397 CE1 TYR A 52 -6.041 2.826 0.216 1.00 0.00 C ATOM 398 CE2 TYR A 52 -3.933 3.954 0.018 1.00 0.00 C ATOM 399 CZ TYR A 52 -5.033 3.565 0.779 1.00 0.00 C ATOM 400 OH TYR A 52 -5.325 4.096 1.981 1.00 0.00 O ATOM 0 H TYR A 52 -5.249 1.681 -5.907 1.00 0.00 H new ATOM 0 HA TYR A 52 -6.690 1.274 -3.372 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -4.210 1.998 -3.614 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.854 3.589 -3.968 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -6.925 2.065 -1.559 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -3.085 3.957 -1.960 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -6.821 2.427 0.848 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -3.099 4.465 0.476 1.00 0.00 H new ATOM 0 HH TYR A 52 -6.259 4.394 1.989 1.00 0.00 H new ATOM 401 N ARG A 53 -7.287 3.776 -5.403 1.00 0.00 N ATOM 402 CA ARG A 53 -8.365 4.517 -6.014 1.00 0.00 C ATOM 403 C ARG A 53 -9.680 3.727 -6.259 1.00 0.00 C ATOM 404 O ARG A 53 -10.752 4.272 -6.027 1.00 0.00 O ATOM 405 CB ARG A 53 -7.633 5.136 -7.229 1.00 0.00 C ATOM 406 CG ARG A 53 -8.130 4.671 -8.564 1.00 0.00 C ATOM 407 CD ARG A 53 -7.452 3.455 -9.091 1.00 0.00 C ATOM 408 NE ARG A 53 -6.515 3.849 -10.156 1.00 0.00 N ATOM 409 CZ ARG A 53 -6.789 3.799 -11.477 1.00 0.00 C ATOM 410 NH1 ARG A 53 -7.944 3.378 -11.986 1.00 0.00 N ATOM 411 NH2 ARG A 53 -5.859 4.198 -12.320 1.00 0.00 N ATOM 0 H ARG A 53 -6.410 3.848 -5.918 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.821 5.277 -5.379 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -7.728 6.221 -7.179 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.571 4.905 -7.152 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -9.199 4.471 -8.489 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -8.007 5.480 -9.284 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.917 2.945 -8.289 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -8.189 2.752 -9.480 1.00 0.00 H new ATOM 0 HE ARG A 53 -5.593 4.184 -9.876 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -8.691 3.066 -11.366 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -8.082 3.367 -12.997 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -4.962 4.533 -11.969 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -6.036 4.172 -13.324 1.00 0.00 H new ATOM 412 N ASP A 54 -9.551 2.499 -6.768 1.00 0.00 N ATOM 413 CA ASP A 54 -10.524 1.893 -7.718 1.00 0.00 C ATOM 414 C ASP A 54 -11.926 1.493 -7.238 1.00 0.00 C ATOM 415 O ASP A 54 -12.727 1.020 -8.029 1.00 0.00 O ATOM 416 CB ASP A 54 -9.826 0.676 -8.348 1.00 0.00 C ATOM 417 CG ASP A 54 -10.220 0.331 -9.776 1.00 0.00 C ATOM 418 OD1 ASP A 54 -9.753 0.899 -10.762 1.00 0.00 O ATOM 419 OD2 ASP A 54 -11.148 -0.677 -9.833 1.00 0.00 O ATOM 0 H ASP A 54 -8.770 1.884 -6.540 1.00 0.00 H new ATOM 0 HA ASP A 54 -10.769 2.707 -8.401 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -8.750 0.849 -8.323 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -10.023 -0.193 -7.720 1.00 0.00 H new ATOM 420 N ALA A 55 -12.166 1.681 -5.951 1.00 0.00 N ATOM 421 CA ALA A 55 -13.504 1.903 -5.373 1.00 0.00 C ATOM 422 C ALA A 55 -14.278 3.088 -5.975 1.00 0.00 C ATOM 423 O ALA A 55 -15.491 2.975 -6.164 1.00 0.00 O ATOM 424 CB ALA A 55 -13.304 2.106 -3.885 1.00 0.00 C ATOM 0 H ALA A 55 -11.424 1.686 -5.251 1.00 0.00 H new ATOM 0 HA ALA A 55 -14.122 1.035 -5.602 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -14.269 2.275 -3.408 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -12.838 1.219 -3.456 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -12.661 2.970 -3.719 1.00 0.00 H new ATOM 425 N LYS A 56 -13.587 4.192 -6.323 1.00 0.00 N ATOM 426 CA LYS A 56 -14.100 5.201 -7.256 1.00 0.00 C ATOM 427 C LYS A 56 -14.713 4.698 -8.581 1.00 0.00 C ATOM 428 O LYS A 56 -15.699 5.253 -9.066 1.00 0.00 O ATOM 429 CB LYS A 56 -13.078 6.329 -7.353 1.00 0.00 C ATOM 430 CG LYS A 56 -11.941 6.038 -8.304 1.00 0.00 C ATOM 431 CD LYS A 56 -10.761 6.907 -7.914 1.00 0.00 C ATOM 432 CE LYS A 56 -9.897 7.382 -9.081 1.00 0.00 C ATOM 433 NZ LYS A 56 -10.469 8.520 -9.824 1.00 0.00 N ATOM 0 H LYS A 56 -12.657 4.404 -5.962 1.00 0.00 H new ATOM 0 HA LYS A 56 -15.020 5.606 -6.834 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -13.584 7.239 -7.674 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -12.670 6.524 -6.361 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -11.668 4.984 -8.258 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -12.242 6.245 -9.331 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -11.133 7.780 -7.378 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -10.133 6.350 -7.219 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -8.915 7.665 -8.702 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -9.745 6.551 -9.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -9.828 8.786 -10.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -11.393 8.249 -10.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -10.589 9.329 -9.181 1.00 0.00 H new ATOM 434 N ASN A 57 -14.089 3.630 -9.130 1.00 0.00 N ATOM 435 CA ASN A 57 -14.537 2.929 -10.354 1.00 0.00 C ATOM 436 C ASN A 57 -15.425 1.662 -10.107 1.00 0.00 C ATOM 437 O ASN A 57 -16.160 1.280 -11.019 1.00 0.00 O ATOM 438 CB ASN A 57 -13.214 2.469 -11.039 1.00 0.00 C ATOM 439 CG ASN A 57 -13.290 2.071 -12.508 1.00 0.00 C ATOM 440 OD1 ASN A 57 -14.143 2.517 -13.275 1.00 0.00 O ATOM 441 ND2 ASN A 57 -12.362 1.236 -12.941 1.00 0.00 N ATOM 0 H ASN A 57 -13.244 3.225 -8.726 1.00 0.00 H new ATOM 0 HA ASN A 57 -15.163 3.604 -10.938 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -12.487 3.276 -10.945 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -12.822 1.620 -10.479 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -12.347 0.954 -13.921 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -11.661 0.874 -12.295 1.00 0.00 H new ATOM 442 N LEU A 58 -15.308 1.038 -8.919 1.00 0.00 N ATOM 443 CA LEU A 58 -15.837 -0.317 -8.578 1.00 0.00 C ATOM 444 C LEU A 58 -17.148 -0.792 -9.163 1.00 0.00 C ATOM 445 O LEU A 58 -18.135 -0.071 -9.318 1.00 0.00 O ATOM 446 CB LEU A 58 -15.643 -0.395 -7.061 1.00 0.00 C ATOM 447 CG LEU A 58 -15.672 -1.605 -6.151 1.00 0.00 C ATOM 448 CD1 LEU A 58 -14.810 -2.707 -6.701 1.00 0.00 C ATOM 449 CD2 LEU A 58 -15.118 -1.210 -4.755 1.00 0.00 C ATOM 0 H LEU A 58 -14.825 1.473 -8.133 1.00 0.00 H new ATOM 0 HA LEU A 58 -15.286 -1.090 -9.114 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -14.671 0.064 -6.882 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -16.394 0.279 -6.650 1.00 0.00 H new ATOM 0 HG LEU A 58 -16.702 -1.953 -6.077 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -14.846 -3.566 -6.031 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -15.177 -2.999 -7.685 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -13.781 -2.356 -6.786 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -15.137 -2.079 -4.097 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -14.093 -0.855 -4.858 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -15.735 -0.419 -4.329 1.00 0.00 H new ATOM 450 N ASP A 59 -17.071 -2.091 -9.471 1.00 0.00 N ATOM 451 CA ASP A 59 -18.229 -2.942 -9.807 1.00 0.00 C ATOM 452 C ASP A 59 -19.274 -2.972 -8.649 1.00 0.00 C ATOM 453 O ASP A 59 -20.484 -2.943 -8.884 1.00 0.00 O ATOM 454 CB ASP A 59 -17.640 -4.391 -9.886 1.00 0.00 C ATOM 455 CG ASP A 59 -17.001 -4.756 -11.214 1.00 0.00 C ATOM 456 OD1 ASP A 59 -17.636 -5.189 -12.174 1.00 0.00 O ATOM 457 OD2 ASP A 59 -15.645 -4.545 -11.212 1.00 0.00 O ATOM 0 H ASP A 59 -16.185 -2.596 -9.496 1.00 0.00 H new ATOM 0 HA ASP A 59 -18.713 -2.579 -10.714 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -16.895 -4.507 -9.098 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -18.439 -5.103 -9.677 1.00 0.00 H new ATOM 458 N SER A 60 -18.733 -3.064 -7.428 1.00 0.00 N ATOM 459 CA SER A 60 -19.491 -3.123 -6.192 1.00 0.00 C ATOM 460 C SER A 60 -19.717 -1.724 -5.567 1.00 0.00 C ATOM 461 O SER A 60 -20.592 -1.623 -4.703 1.00 0.00 O ATOM 462 CB SER A 60 -18.597 -4.049 -5.351 1.00 0.00 C ATOM 463 OG SER A 60 -19.370 -4.807 -4.440 1.00 0.00 O ATOM 0 H SER A 60 -17.725 -3.100 -7.279 1.00 0.00 H new ATOM 0 HA SER A 60 -20.513 -3.487 -6.297 1.00 0.00 H new ATOM 0 HB2 SER A 60 -18.041 -4.719 -6.007 1.00 0.00 H new ATOM 0 HB3 SER A 60 -17.863 -3.456 -4.806 1.00 0.00 H new ATOM 0 HG SER A 60 -20.203 -4.330 -4.242 1.00 0.00 H new ATOM 464 N CYS A 61 -18.962 -0.668 -5.998 1.00 0.00 N ATOM 465 CA CYS A 61 -19.148 0.700 -5.469 1.00 0.00 C ATOM 466 C CYS A 61 -19.118 1.720 -6.622 1.00 0.00 C ATOM 467 O CYS A 61 -18.054 2.056 -7.151 1.00 0.00 O ATOM 468 CB CYS A 61 -18.082 0.982 -4.404 1.00 0.00 C ATOM 469 SG CYS A 61 -18.795 1.902 -3.043 1.00 0.00 S ATOM 0 H CYS A 61 -18.229 -0.747 -6.703 1.00 0.00 H new ATOM 0 HA CYS A 61 -20.123 0.792 -4.991 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -17.665 0.043 -4.039 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -17.260 1.547 -4.843 1.00 0.00 H new ATOM 528 N TYR A 69 -5.541 7.987 -0.697 1.00 0.00 N ATOM 529 CA TYR A 69 -5.600 7.144 0.503 1.00 0.00 C ATOM 530 C TYR A 69 -6.972 7.541 1.171 1.00 0.00 C ATOM 531 O TYR A 69 -7.261 8.739 1.267 1.00 0.00 O ATOM 532 CB TYR A 69 -4.500 7.409 1.583 1.00 0.00 C ATOM 533 CG TYR A 69 -2.990 7.634 1.182 1.00 0.00 C ATOM 534 CD1 TYR A 69 -2.349 7.154 0.012 1.00 0.00 C ATOM 535 CD2 TYR A 69 -2.221 8.489 1.995 1.00 0.00 C ATOM 536 CE1 TYR A 69 -1.168 7.743 -0.460 1.00 0.00 C ATOM 537 CE2 TYR A 69 -1.032 9.067 1.533 1.00 0.00 C ATOM 538 CZ TYR A 69 -0.543 8.737 0.278 1.00 0.00 C ATOM 539 OH TYR A 69 0.565 9.361 -0.216 1.00 0.00 O ATOM 0 HA TYR A 69 -5.468 6.107 0.194 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -4.813 8.289 2.145 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -4.523 6.565 2.272 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -2.778 6.321 -0.525 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -2.556 8.704 2.999 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -0.744 7.422 -1.400 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -0.496 9.770 2.154 1.00 0.00 H new ATOM 0 HH TYR A 69 1.133 8.706 -0.673 1.00 0.00 H new ATOM 540 N THR A 70 -7.749 6.547 1.622 1.00 0.00 N ATOM 541 CA THR A 70 -8.885 6.712 2.549 1.00 0.00 C ATOM 542 C THR A 70 -10.125 5.867 2.130 1.00 0.00 C ATOM 543 O THR A 70 -11.025 6.412 1.482 1.00 0.00 O ATOM 544 CB THR A 70 -9.420 8.105 3.048 1.00 0.00 C ATOM 545 OG1 THR A 70 -9.837 8.945 1.968 1.00 0.00 O ATOM 546 CG2 THR A 70 -8.477 8.865 3.968 1.00 0.00 C ATOM 0 H THR A 70 -7.603 5.576 1.346 1.00 0.00 H new ATOM 0 HA THR A 70 -8.334 6.364 3.423 1.00 0.00 H new ATOM 0 HB THR A 70 -10.287 7.843 3.654 1.00 0.00 H new ATOM 0 HG1 THR A 70 -9.071 9.136 1.388 1.00 0.00 H new ATOM 0 HG21 THR A 70 -8.935 9.811 4.257 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.280 8.270 4.859 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.539 9.060 3.447 1.00 0.00 H new ATOM 547 N GLU A 71 -10.204 4.586 2.551 1.00 0.00 N ATOM 548 CA GLU A 71 -11.498 3.851 2.541 1.00 0.00 C ATOM 549 C GLU A 71 -11.733 2.931 3.794 1.00 0.00 C ATOM 550 O GLU A 71 -12.786 3.057 4.425 1.00 0.00 O ATOM 551 CB GLU A 71 -11.845 3.029 1.266 1.00 0.00 C ATOM 552 CG GLU A 71 -12.054 3.817 -0.030 1.00 0.00 C ATOM 553 CD GLU A 71 -13.454 4.396 -0.197 1.00 0.00 C ATOM 554 OE1 GLU A 71 -14.382 3.773 -0.712 1.00 0.00 O ATOM 555 OE2 GLU A 71 -13.555 5.676 0.284 1.00 0.00 O ATOM 0 H GLU A 71 -9.410 4.046 2.895 1.00 0.00 H new ATOM 0 HA GLU A 71 -12.180 4.701 2.562 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -11.045 2.308 1.099 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -12.752 2.459 1.466 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -11.331 4.632 -0.066 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -11.841 3.164 -0.876 1.00 0.00 H new ATOM 556 N SER A 72 -10.802 2.007 4.103 1.00 0.00 N ATOM 557 CA SER A 72 -11.147 0.759 4.850 1.00 0.00 C ATOM 558 C SER A 72 -10.578 0.523 6.281 1.00 0.00 C ATOM 559 O SER A 72 -10.052 1.442 6.907 1.00 0.00 O ATOM 560 CB SER A 72 -10.729 -0.353 3.823 1.00 0.00 C ATOM 561 OG SER A 72 -9.351 -0.702 3.913 1.00 0.00 O ATOM 0 H SER A 72 -9.816 2.089 3.856 1.00 0.00 H new ATOM 0 HA SER A 72 -12.198 0.789 5.137 1.00 0.00 H new ATOM 0 HB2 SER A 72 -11.336 -1.243 3.992 1.00 0.00 H new ATOM 0 HB3 SER A 72 -10.946 -0.007 2.812 1.00 0.00 H new ATOM 0 HG SER A 72 -9.267 -1.619 4.249 1.00 0.00 H new ATOM 562 N TYR A 73 -10.778 -0.731 6.768 1.00 0.00 N ATOM 563 CA TYR A 73 -10.115 -1.390 7.907 1.00 0.00 C ATOM 564 C TYR A 73 -10.970 -1.672 9.167 1.00 0.00 C ATOM 565 O TYR A 73 -11.689 -0.809 9.675 1.00 0.00 O ATOM 566 CB TYR A 73 -8.751 -0.837 8.404 1.00 0.00 C ATOM 567 CG TYR A 73 -7.615 -1.465 7.649 1.00 0.00 C ATOM 568 CD1 TYR A 73 -7.294 -1.050 6.372 1.00 0.00 C ATOM 569 CD2 TYR A 73 -7.143 -2.694 8.113 1.00 0.00 C ATOM 570 CE1 TYR A 73 -6.541 -1.879 5.563 1.00 0.00 C ATOM 571 CE2 TYR A 73 -6.435 -3.547 7.286 1.00 0.00 C ATOM 572 CZ TYR A 73 -6.066 -3.103 6.021 1.00 0.00 C ATOM 573 OH TYR A 73 -5.193 -3.828 5.277 1.00 0.00 O ATOM 0 H TYR A 73 -11.463 -1.349 6.334 1.00 0.00 H new ATOM 0 HA TYR A 73 -9.929 -2.319 7.368 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -8.724 0.245 8.277 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -8.639 -1.036 9.470 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -7.628 -0.089 6.010 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -7.334 -2.984 9.136 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -6.316 -1.570 4.553 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -6.173 -4.541 7.617 1.00 0.00 H new ATOM 0 HH TYR A 73 -5.686 -4.479 4.736 1.00 0.00 H new ATOM 574 N SER A 74 -10.734 -2.910 9.664 1.00 0.00 N ATOM 575 CA SER A 74 -11.355 -3.513 10.869 1.00 0.00 C ATOM 576 C SER A 74 -10.640 -4.890 11.039 1.00 0.00 C ATOM 577 O SER A 74 -11.110 -5.893 10.492 1.00 0.00 O ATOM 578 CB SER A 74 -12.848 -3.604 10.512 1.00 0.00 C ATOM 579 OG SER A 74 -13.629 -4.242 11.502 1.00 0.00 O ATOM 0 H SER A 74 -10.075 -3.546 9.215 1.00 0.00 H new ATOM 0 HA SER A 74 -11.260 -2.974 11.812 1.00 0.00 H new ATOM 0 HB2 SER A 74 -13.236 -2.599 10.348 1.00 0.00 H new ATOM 0 HB3 SER A 74 -12.956 -4.145 9.572 1.00 0.00 H new ATOM 0 HG SER A 74 -14.028 -5.056 11.130 1.00 0.00 H new ATOM 580 N TYR A 75 -9.520 -4.984 11.784 1.00 0.00 N ATOM 581 CA TYR A 75 -8.487 -6.003 11.532 1.00 0.00 C ATOM 582 C TYR A 75 -8.073 -6.761 12.815 1.00 0.00 C ATOM 583 O TYR A 75 -8.905 -7.158 13.635 1.00 0.00 O ATOM 584 CB TYR A 75 -7.387 -5.164 10.767 1.00 0.00 C ATOM 585 CG TYR A 75 -6.694 -4.021 11.561 1.00 0.00 C ATOM 586 CD1 TYR A 75 -7.245 -2.749 11.856 1.00 0.00 C ATOM 587 CD2 TYR A 75 -5.484 -4.344 12.125 1.00 0.00 C ATOM 588 CE1 TYR A 75 -6.598 -1.889 12.752 1.00 0.00 C ATOM 589 CE2 TYR A 75 -4.857 -3.525 13.062 1.00 0.00 C ATOM 590 CZ TYR A 75 -5.402 -2.287 13.367 1.00 0.00 C ATOM 591 OH TYR A 75 -4.770 -1.450 14.239 1.00 0.00 O ATOM 0 H TYR A 75 -9.310 -4.364 12.566 1.00 0.00 H new ATOM 0 HA TYR A 75 -8.793 -6.858 10.929 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -6.616 -5.852 10.421 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -7.848 -4.729 9.880 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -8.168 -2.441 11.388 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -5.002 -5.265 11.832 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -7.020 -0.919 12.970 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -3.950 -3.853 13.549 1.00 0.00 H new ATOM 0 HH TYR A 75 -3.956 -1.881 14.575 1.00 0.00 H new ATOM 592 N SER A 76 -6.763 -7.017 12.899 1.00 0.00 N ATOM 593 CA SER A 76 -6.122 -7.993 13.792 1.00 0.00 C ATOM 594 C SER A 76 -4.556 -7.744 13.851 1.00 0.00 C ATOM 595 O SER A 76 -4.068 -6.624 13.709 1.00 0.00 O ATOM 596 CB SER A 76 -6.344 -9.325 13.005 1.00 0.00 C ATOM 597 OG SER A 76 -7.643 -9.853 13.168 1.00 0.00 O ATOM 0 H SER A 76 -6.085 -6.525 12.317 1.00 0.00 H new ATOM 0 HA SER A 76 -6.510 -7.963 14.810 1.00 0.00 H new ATOM 0 HB2 SER A 76 -6.160 -9.149 11.945 1.00 0.00 H new ATOM 0 HB3 SER A 76 -5.614 -10.063 13.337 1.00 0.00 H new ATOM 0 HG SER A 76 -7.726 -10.683 12.654 1.00 0.00 H new ATOM 598 N CYS A 77 -3.840 -8.814 14.221 1.00 0.00 N ATOM 599 CA CYS A 77 -2.433 -9.093 13.982 1.00 0.00 C ATOM 600 C CYS A 77 -2.196 -10.420 14.865 1.00 0.00 C ATOM 601 O CYS A 77 -2.782 -10.611 15.941 1.00 0.00 O ATOM 602 CB CYS A 77 -1.498 -8.024 14.446 1.00 0.00 C ATOM 603 SG CYS A 77 -1.307 -6.556 13.453 1.00 0.00 S ATOM 0 H CYS A 77 -4.280 -9.572 14.743 1.00 0.00 H new ATOM 0 HA CYS A 77 -2.230 -9.181 12.915 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -1.822 -7.711 15.438 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -0.512 -8.475 14.560 1.00 0.00 H new ATOM 604 N SER A 78 -1.258 -11.247 14.417 1.00 0.00 N ATOM 605 CA SER A 78 -0.939 -12.544 15.091 1.00 0.00 C ATOM 606 C SER A 78 0.567 -12.568 15.432 1.00 0.00 C ATOM 607 O SER A 78 1.096 -11.662 16.084 1.00 0.00 O ATOM 608 CB SER A 78 -1.584 -13.679 14.252 1.00 0.00 C ATOM 609 OG SER A 78 -1.531 -14.927 14.939 1.00 0.00 O ATOM 0 H SER A 78 -0.692 -11.060 13.589 1.00 0.00 H new ATOM 0 HA SER A 78 -1.382 -12.697 16.075 1.00 0.00 H new ATOM 0 HB2 SER A 78 -2.621 -13.427 14.032 1.00 0.00 H new ATOM 0 HB3 SER A 78 -1.067 -13.766 13.296 1.00 0.00 H new ATOM 0 HG SER A 78 -1.946 -15.622 14.387 1.00 0.00 H new ATOM 610 N ASN A 79 1.215 -13.632 14.970 1.00 0.00 N ATOM 611 CA ASN A 79 2.686 -13.727 14.764 1.00 0.00 C ATOM 612 C ASN A 79 3.353 -12.447 14.109 1.00 0.00 C ATOM 613 O ASN A 79 4.393 -11.952 14.542 1.00 0.00 O ATOM 614 CB ASN A 79 2.865 -14.933 13.757 1.00 0.00 C ATOM 615 CG ASN A 79 2.835 -16.331 14.371 1.00 0.00 C ATOM 616 OD1 ASN A 79 3.038 -16.540 15.567 1.00 0.00 O ATOM 617 ND2 ASN A 79 2.605 -17.337 13.546 1.00 0.00 N ATOM 0 H ASN A 79 0.728 -14.491 14.715 1.00 0.00 H new ATOM 0 HA ASN A 79 3.169 -13.843 15.734 1.00 0.00 H new ATOM 0 HB2 ASN A 79 2.078 -14.872 13.005 1.00 0.00 H new ATOM 0 HB3 ASN A 79 3.814 -14.807 13.236 1.00 0.00 H new ATOM 0 HD21 ASN A 79 2.595 -18.294 13.899 1.00 0.00 H new ATOM 0 HD22 ASN A 79 2.438 -17.157 12.556 1.00 0.00 H new ATOM 618 N THR A 80 2.644 -12.026 13.072 1.00 0.00 N ATOM 619 CA THR A 80 2.900 -10.934 12.137 1.00 0.00 C ATOM 620 C THR A 80 1.550 -10.675 11.294 1.00 0.00 C ATOM 621 O THR A 80 1.291 -9.539 10.909 1.00 0.00 O ATOM 622 CB THR A 80 4.043 -11.194 11.107 1.00 0.00 C ATOM 623 OG1 THR A 80 3.784 -12.339 10.293 1.00 0.00 O ATOM 624 CG2 THR A 80 5.430 -11.365 11.708 1.00 0.00 C ATOM 0 H THR A 80 1.771 -12.497 12.836 1.00 0.00 H new ATOM 0 HA THR A 80 3.215 -10.087 12.747 1.00 0.00 H new ATOM 0 HB THR A 80 4.046 -10.280 10.513 1.00 0.00 H new ATOM 0 HG1 THR A 80 4.523 -12.465 9.661 1.00 0.00 H new ATOM 0 HG21 THR A 80 6.153 -11.541 10.911 1.00 0.00 H new ATOM 0 HG22 THR A 80 5.704 -10.462 12.254 1.00 0.00 H new ATOM 0 HG23 THR A 80 5.429 -12.215 12.390 1.00 0.00 H new ATOM 625 N GLU A 81 0.775 -11.750 11.037 1.00 0.00 N ATOM 626 CA GLU A 81 -0.345 -11.813 10.095 1.00 0.00 C ATOM 627 C GLU A 81 -1.700 -11.439 10.688 1.00 0.00 C ATOM 628 O GLU A 81 -2.066 -11.810 11.800 1.00 0.00 O ATOM 629 CB GLU A 81 -0.476 -13.285 9.604 1.00 0.00 C ATOM 630 CG GLU A 81 0.741 -13.659 8.756 1.00 0.00 C ATOM 631 CD GLU A 81 0.634 -14.990 8.051 1.00 0.00 C ATOM 632 OE1 GLU A 81 0.044 -14.876 6.818 1.00 0.00 O ATOM 633 OE2 GLU A 81 1.034 -16.048 8.536 1.00 0.00 O ATOM 0 H GLU A 81 0.928 -12.641 11.510 1.00 0.00 H new ATOM 0 HA GLU A 81 -0.117 -11.093 9.309 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -0.556 -13.957 10.458 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -1.388 -13.403 9.019 1.00 0.00 H new ATOM 0 HG2 GLU A 81 0.900 -12.880 8.010 1.00 0.00 H new ATOM 0 HG3 GLU A 81 1.623 -13.672 9.397 1.00 0.00 H new ATOM 634 N ILE A 82 -2.486 -10.782 9.851 1.00 0.00 N ATOM 635 CA ILE A 82 -3.623 -9.954 10.334 1.00 0.00 C ATOM 636 C ILE A 82 -4.935 -10.571 9.789 1.00 0.00 C ATOM 637 O ILE A 82 -5.261 -11.690 10.197 1.00 0.00 O ATOM 638 CB ILE A 82 -3.192 -8.511 9.993 1.00 0.00 C ATOM 639 CG1 ILE A 82 -1.831 -8.034 10.608 1.00 0.00 C ATOM 640 CG2 ILE A 82 -4.138 -7.358 10.265 1.00 0.00 C ATOM 641 CD1 ILE A 82 -0.788 -7.761 9.534 1.00 0.00 C ATOM 0 H ILE A 82 -2.374 -10.794 8.837 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.856 -9.930 11.398 1.00 0.00 H new ATOM 0 HB ILE A 82 -3.144 -8.688 8.918 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -1.994 -7.129 11.194 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -1.456 -8.794 11.293 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -3.667 -6.422 9.963 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.058 -7.501 9.698 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -4.370 -7.321 11.329 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.140 -7.433 10.003 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -0.604 -8.672 8.965 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.151 -6.982 8.864 1.00 0.00 H new ATOM 642 N THR A 83 -5.684 -9.839 8.944 1.00 0.00 N ATOM 643 CA THR A 83 -7.024 -10.272 8.422 1.00 0.00 C ATOM 644 C THR A 83 -7.550 -9.266 7.357 1.00 0.00 C ATOM 645 O THR A 83 -7.518 -9.657 6.192 1.00 0.00 O ATOM 646 CB THR A 83 -8.088 -10.694 9.470 1.00 0.00 C ATOM 647 OG1 THR A 83 -9.190 -11.325 8.815 1.00 0.00 O ATOM 648 CG2 THR A 83 -8.611 -9.548 10.318 1.00 0.00 C ATOM 0 H THR A 83 -5.390 -8.927 8.594 1.00 0.00 H new ATOM 0 HA THR A 83 -6.835 -11.228 7.934 1.00 0.00 H new ATOM 0 HB THR A 83 -7.582 -11.382 10.147 1.00 0.00 H new ATOM 0 HG1 THR A 83 -9.858 -11.591 9.481 1.00 0.00 H new ATOM 0 HG21 THR A 83 -9.350 -9.926 11.025 1.00 0.00 H new ATOM 0 HG22 THR A 83 -7.785 -9.094 10.865 1.00 0.00 H new ATOM 0 HG23 THR A 83 -9.074 -8.801 9.674 1.00 0.00 H new ATOM 649 N CYS A 84 -8.247 -8.146 7.694 1.00 0.00 N ATOM 650 CA CYS A 84 -8.387 -6.934 6.879 1.00 0.00 C ATOM 651 C CYS A 84 -9.557 -6.088 7.438 1.00 0.00 C ATOM 652 O CYS A 84 -9.367 -4.995 7.967 1.00 0.00 O ATOM 653 CB CYS A 84 -8.324 -6.939 5.368 1.00 0.00 C ATOM 654 SG CYS A 84 -7.813 -5.287 4.904 1.00 0.00 S ATOM 0 H CYS A 84 -8.743 -8.073 8.582 1.00 0.00 H new ATOM 0 HA CYS A 84 -7.403 -6.484 7.010 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -7.615 -7.685 5.007 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -9.294 -7.186 4.936 1.00 0.00 H new ATOM 655 N ASN A 85 -10.771 -6.631 7.227 1.00 0.00 N ATOM 656 CA ASN A 85 -12.050 -5.949 7.462 1.00 0.00 C ATOM 657 C ASN A 85 -13.134 -6.921 8.020 1.00 0.00 C ATOM 658 O ASN A 85 -12.950 -8.142 8.071 1.00 0.00 O ATOM 659 CB ASN A 85 -12.476 -5.296 6.117 1.00 0.00 C ATOM 660 CG ASN A 85 -13.021 -6.218 5.025 1.00 0.00 C ATOM 661 OD1 ASN A 85 -14.212 -6.191 4.724 1.00 0.00 O ATOM 662 ND2 ASN A 85 -12.194 -7.096 4.470 1.00 0.00 N ATOM 0 H ASN A 85 -10.888 -7.583 6.879 1.00 0.00 H new ATOM 0 HA ASN A 85 -11.937 -5.182 8.228 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -13.236 -4.545 6.334 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -11.613 -4.768 5.711 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -12.544 -7.762 3.782 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -11.208 -7.104 4.732 1.00 0.00 H new ATOM 663 N SER A 86 -14.291 -6.348 8.381 1.00 0.00 N ATOM 664 CA SER A 86 -15.515 -7.126 8.700 1.00 0.00 C ATOM 665 C SER A 86 -16.764 -6.217 8.524 1.00 0.00 C ATOM 666 O SER A 86 -17.405 -5.850 9.515 1.00 0.00 O ATOM 667 CB SER A 86 -15.435 -7.802 10.094 1.00 0.00 C ATOM 668 OG SER A 86 -15.226 -6.871 11.153 1.00 0.00 O ATOM 0 H SER A 86 -14.413 -5.339 8.462 1.00 0.00 H new ATOM 0 HA SER A 86 -15.604 -7.955 7.997 1.00 0.00 H new ATOM 0 HB2 SER A 86 -16.358 -8.352 10.278 1.00 0.00 H new ATOM 0 HB3 SER A 86 -14.624 -8.530 10.093 1.00 0.00 H new ATOM 0 HG SER A 86 -15.859 -6.128 11.065 1.00 0.00 H new ATOM 669 N LYS A 87 -17.113 -5.852 7.262 1.00 0.00 N ATOM 670 CA LYS A 87 -18.228 -4.913 6.998 1.00 0.00 C ATOM 671 C LYS A 87 -18.893 -4.951 5.592 1.00 0.00 C ATOM 672 O LYS A 87 -20.122 -5.046 5.532 1.00 0.00 O ATOM 673 CB LYS A 87 -17.931 -3.450 7.431 1.00 0.00 C ATOM 674 CG LYS A 87 -16.742 -2.733 6.785 1.00 0.00 C ATOM 675 CD LYS A 87 -15.483 -2.735 7.661 1.00 0.00 C ATOM 676 CE LYS A 87 -14.275 -1.978 7.087 1.00 0.00 C ATOM 677 NZ LYS A 87 -14.377 -0.512 7.212 1.00 0.00 N ATOM 0 H LYS A 87 -16.643 -6.191 6.423 1.00 0.00 H new ATOM 0 HA LYS A 87 -18.989 -5.330 7.657 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -18.824 -2.857 7.235 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -17.776 -3.447 8.510 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -16.514 -3.210 5.832 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -17.023 -1.703 6.567 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -15.735 -2.301 8.629 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -15.189 -3.769 7.842 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -13.372 -2.315 7.596 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -14.163 -2.237 6.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -13.500 -0.072 6.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -15.181 -0.171 6.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -14.522 -0.258 8.210 1.00 0.00 H new ATOM 678 N ASN A 88 -18.128 -4.820 4.490 1.00 0.00 N ATOM 679 CA ASN A 88 -18.698 -4.364 3.197 1.00 0.00 C ATOM 680 C ASN A 88 -19.131 -5.422 2.176 1.00 0.00 C ATOM 681 O ASN A 88 -18.707 -6.581 2.186 1.00 0.00 O ATOM 682 CB ASN A 88 -17.732 -3.290 2.589 1.00 0.00 C ATOM 683 CG ASN A 88 -18.497 -2.120 1.932 1.00 0.00 C ATOM 684 OD1 ASN A 88 -18.774 -2.132 0.736 1.00 0.00 O ATOM 685 ND2 ASN A 88 -18.920 -1.133 2.702 1.00 0.00 N ATOM 0 H ASN A 88 -17.128 -5.019 4.463 1.00 0.00 H new ATOM 0 HA ASN A 88 -19.671 -3.941 3.445 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -17.083 -2.902 3.374 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -17.088 -3.762 1.847 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -19.478 -0.378 2.303 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -18.688 -1.126 3.695 1.00 0.00 H new ATOM 686 N ASN A 89 -19.964 -4.898 1.241 1.00 0.00 N ATOM 687 CA ASN A 89 -20.231 -5.495 -0.097 1.00 0.00 C ATOM 688 C ASN A 89 -18.864 -5.444 -0.806 1.00 0.00 C ATOM 689 O ASN A 89 -18.138 -6.432 -0.636 1.00 0.00 O ATOM 690 CB ASN A 89 -21.389 -4.719 -0.751 1.00 0.00 C ATOM 691 CG ASN A 89 -21.928 -5.274 -2.070 1.00 0.00 C ATOM 692 OD1 ASN A 89 -21.844 -4.623 -3.110 1.00 0.00 O ATOM 693 ND2 ASN A 89 -22.531 -6.452 -2.063 1.00 0.00 N ATOM 0 H ASN A 89 -20.480 -4.032 1.397 1.00 0.00 H new ATOM 0 HA ASN A 89 -20.577 -6.528 -0.112 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -22.213 -4.673 -0.039 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -21.058 -3.695 -0.922 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -22.930 -6.826 -2.924 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -22.597 -6.986 -1.197 1.00 0.00 H new ATOM 694 N ALA A 90 -18.448 -4.409 -1.583 1.00 0.00 N ATOM 695 CA ALA A 90 -16.996 -4.128 -1.730 1.00 0.00 C ATOM 696 C ALA A 90 -16.378 -2.776 -1.295 1.00 0.00 C ATOM 697 O ALA A 90 -15.331 -2.836 -0.677 1.00 0.00 O ATOM 698 CB ALA A 90 -16.394 -4.733 -2.990 1.00 0.00 C ATOM 0 H ALA A 90 -19.066 -3.781 -2.096 1.00 0.00 H new ATOM 0 HA ALA A 90 -16.642 -4.683 -0.861 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -15.332 -4.492 -3.038 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -16.520 -5.816 -2.970 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -16.899 -4.326 -3.866 1.00 0.00 H new ATOM 699 N CYS A 91 -16.927 -1.597 -1.627 1.00 0.00 N ATOM 700 CA CYS A 91 -16.325 -0.237 -1.359 1.00 0.00 C ATOM 701 C CYS A 91 -14.972 -0.072 -0.551 1.00 0.00 C ATOM 702 O CYS A 91 -13.935 0.230 -1.140 1.00 0.00 O ATOM 703 CB CYS A 91 -17.440 0.556 -0.637 1.00 0.00 C ATOM 704 SG CYS A 91 -18.992 0.617 -1.534 1.00 0.00 S ATOM 0 H CYS A 91 -17.827 -1.538 -2.103 1.00 0.00 H new ATOM 0 HA CYS A 91 -16.000 0.110 -2.340 1.00 0.00 H new ATOM 0 HB2 CYS A 91 -17.615 0.108 0.341 1.00 0.00 H new ATOM 0 HB3 CYS A 91 -17.093 1.574 -0.463 1.00 0.00 H new ATOM 705 N GLU A 92 -15.041 -0.311 0.765 1.00 0.00 N ATOM 706 CA GLU A 92 -13.897 -0.404 1.690 1.00 0.00 C ATOM 707 C GLU A 92 -13.271 -1.806 1.653 1.00 0.00 C ATOM 708 O GLU A 92 -12.062 -1.852 1.487 1.00 0.00 O ATOM 709 CB GLU A 92 -14.204 -0.086 3.184 1.00 0.00 C ATOM 710 CG GLU A 92 -15.588 -0.460 3.706 1.00 0.00 C ATOM 711 CD GLU A 92 -16.443 0.726 4.116 1.00 0.00 C ATOM 712 OE1 GLU A 92 -16.861 1.564 3.317 1.00 0.00 O ATOM 713 OE2 GLU A 92 -16.702 0.746 5.461 1.00 0.00 O ATOM 0 H GLU A 92 -15.934 -0.451 1.238 1.00 0.00 H new ATOM 0 HA GLU A 92 -13.221 0.368 1.323 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -13.462 -0.597 3.798 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -14.063 0.984 3.338 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -16.114 -1.023 2.935 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -15.473 -1.124 4.563 1.00 0.00 H new ATOM 714 N ALA A 93 -14.026 -2.908 1.834 1.00 0.00 N ATOM 715 CA ALA A 93 -13.459 -4.266 1.739 1.00 0.00 C ATOM 716 C ALA A 93 -12.594 -4.627 0.508 1.00 0.00 C ATOM 717 O ALA A 93 -11.688 -5.454 0.638 1.00 0.00 O ATOM 718 CB ALA A 93 -14.555 -5.320 1.820 1.00 0.00 C ATOM 0 H ALA A 93 -15.024 -2.884 2.045 1.00 0.00 H new ATOM 0 HA ALA A 93 -12.776 -4.260 2.588 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -14.111 -6.313 1.748 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -15.081 -5.226 2.770 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -15.259 -5.177 1.000 1.00 0.00 H new ATOM 719 N PHE A 94 -12.884 -4.019 -0.658 1.00 0.00 N ATOM 720 CA PHE A 94 -12.011 -4.137 -1.842 1.00 0.00 C ATOM 721 C PHE A 94 -10.720 -3.324 -1.628 1.00 0.00 C ATOM 722 O PHE A 94 -9.666 -3.842 -2.003 1.00 0.00 O ATOM 723 CB PHE A 94 -12.855 -3.752 -3.070 1.00 0.00 C ATOM 724 CG PHE A 94 -12.111 -3.480 -4.372 1.00 0.00 C ATOM 725 CD1 PHE A 94 -11.365 -2.313 -4.449 1.00 0.00 C ATOM 726 CD2 PHE A 94 -12.283 -4.244 -5.533 1.00 0.00 C ATOM 727 CE1 PHE A 94 -10.808 -1.883 -5.636 1.00 0.00 C ATOM 728 CE2 PHE A 94 -11.721 -3.821 -6.742 1.00 0.00 C ATOM 729 CZ PHE A 94 -10.979 -2.632 -6.789 1.00 0.00 C ATOM 0 H PHE A 94 -13.713 -3.443 -0.805 1.00 0.00 H new ATOM 0 HA PHE A 94 -11.653 -5.153 -2.012 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -13.571 -4.553 -3.252 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -13.431 -2.861 -2.818 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -11.216 -1.725 -3.555 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -12.851 -5.162 -5.495 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -10.240 -0.965 -5.666 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -11.858 -4.409 -7.637 1.00 0.00 H new ATOM 0 HZ PHE A 94 -10.543 -2.302 -7.720 1.00 0.00 H new ATOM 730 N ILE A 95 -10.778 -2.056 -1.106 1.00 0.00 N ATOM 731 CA ILE A 95 -9.522 -1.327 -0.751 1.00 0.00 C ATOM 732 C ILE A 95 -8.734 -2.133 0.324 1.00 0.00 C ATOM 733 O ILE A 95 -7.525 -2.226 0.198 1.00 0.00 O ATOM 734 CB ILE A 95 -9.773 0.162 -0.324 1.00 0.00 C ATOM 735 CG1 ILE A 95 -9.585 1.111 -1.532 1.00 0.00 C ATOM 736 CG2 ILE A 95 -8.814 0.727 0.747 1.00 0.00 C ATOM 737 CD1 ILE A 95 -10.772 1.144 -2.443 1.00 0.00 C ATOM 0 H ILE A 95 -11.641 -1.541 -0.930 1.00 0.00 H new ATOM 0 HA ILE A 95 -8.909 -1.257 -1.650 1.00 0.00 H new ATOM 0 HB ILE A 95 -10.785 0.128 0.079 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -9.386 2.119 -1.167 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -8.708 0.799 -2.099 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -9.080 1.761 0.964 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -8.894 0.133 1.657 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -7.790 0.686 0.376 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -10.577 1.827 -3.270 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -10.958 0.144 -2.835 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -11.647 1.485 -1.889 1.00 0.00 H new ATOM 738 N CYS A 96 -9.421 -2.671 1.344 1.00 0.00 N ATOM 739 CA CYS A 96 -8.860 -3.596 2.337 1.00 0.00 C ATOM 740 C CYS A 96 -8.100 -4.800 1.729 1.00 0.00 C ATOM 741 O CYS A 96 -7.009 -5.105 2.213 1.00 0.00 O ATOM 742 CB CYS A 96 -9.995 -4.023 3.289 1.00 0.00 C ATOM 743 SG CYS A 96 -9.342 -4.041 4.949 1.00 0.00 S ATOM 0 H CYS A 96 -10.408 -2.468 1.504 1.00 0.00 H new ATOM 0 HA CYS A 96 -8.085 -3.071 2.895 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -10.834 -3.331 3.217 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -10.371 -5.009 3.016 1.00 0.00 H new ATOM 744 N ASN A 97 -8.613 -5.422 0.641 1.00 0.00 N ATOM 745 CA ASN A 97 -7.799 -6.413 -0.139 1.00 0.00 C ATOM 746 C ASN A 97 -6.590 -5.802 -0.897 1.00 0.00 C ATOM 747 O ASN A 97 -5.531 -6.432 -0.892 1.00 0.00 O ATOM 748 CB ASN A 97 -8.745 -7.156 -1.096 1.00 0.00 C ATOM 749 CG ASN A 97 -8.259 -8.499 -1.643 1.00 0.00 C ATOM 750 OD1 ASN A 97 -7.250 -9.069 -1.225 1.00 0.00 O ATOM 751 ND2 ASN A 97 -8.987 -9.048 -2.599 1.00 0.00 N ATOM 0 H ASN A 97 -9.556 -5.269 0.283 1.00 0.00 H new ATOM 0 HA ASN A 97 -7.343 -7.100 0.573 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -9.690 -7.322 -0.578 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -8.956 -6.501 -1.942 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -8.715 -9.948 -2.994 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -9.822 -8.572 -2.942 1.00 0.00 H new ATOM 752 N CYS A 98 -6.729 -4.605 -1.499 1.00 0.00 N ATOM 753 CA CYS A 98 -5.568 -3.832 -2.021 1.00 0.00 C ATOM 754 C CYS A 98 -4.487 -3.558 -0.925 1.00 0.00 C ATOM 755 O CYS A 98 -3.317 -3.859 -1.170 1.00 0.00 O ATOM 756 CB CYS A 98 -6.092 -2.546 -2.682 1.00 0.00 C ATOM 757 SG CYS A 98 -4.874 -1.774 -3.746 1.00 0.00 S ATOM 0 H CYS A 98 -7.629 -4.147 -1.639 1.00 0.00 H new ATOM 0 HA CYS A 98 -5.049 -4.427 -2.773 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -6.983 -2.778 -3.265 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -6.393 -1.840 -1.908 1.00 0.00 H new ATOM 758 N ASP A 99 -4.895 -3.084 0.279 1.00 0.00 N ATOM 759 CA ASP A 99 -4.018 -2.865 1.449 1.00 0.00 C ATOM 760 C ASP A 99 -3.286 -4.138 1.868 1.00 0.00 C ATOM 761 O ASP A 99 -2.084 -4.175 1.653 1.00 0.00 O ATOM 762 CB ASP A 99 -4.738 -2.228 2.647 1.00 0.00 C ATOM 763 CG ASP A 99 -5.193 -0.796 2.478 1.00 0.00 C ATOM 764 OD1 ASP A 99 -4.467 0.175 2.661 1.00 0.00 O ATOM 765 OD2 ASP A 99 -6.515 -0.716 2.167 1.00 0.00 O ATOM 0 H ASP A 99 -5.868 -2.839 0.464 1.00 0.00 H new ATOM 0 HA ASP A 99 -3.275 -2.142 1.114 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -5.610 -2.837 2.884 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -4.073 -2.275 3.509 1.00 0.00 H new ATOM 766 N ARG A 100 -3.966 -5.159 2.396 1.00 0.00 N ATOM 767 CA ARG A 100 -3.302 -6.435 2.724 1.00 0.00 C ATOM 768 C ARG A 100 -2.447 -7.120 1.666 1.00 0.00 C ATOM 769 O ARG A 100 -1.387 -7.576 2.078 1.00 0.00 O ATOM 770 CB ARG A 100 -4.284 -7.480 3.257 1.00 0.00 C ATOM 771 CG ARG A 100 -4.936 -7.000 4.548 1.00 0.00 C ATOM 772 CD ARG A 100 -5.088 -8.078 5.595 1.00 0.00 C ATOM 773 NE ARG A 100 -3.822 -8.449 6.211 1.00 0.00 N ATOM 774 CZ ARG A 100 -3.202 -9.640 6.083 1.00 0.00 C ATOM 775 NH1 ARG A 100 -3.702 -10.682 5.424 1.00 0.00 N ATOM 776 NH2 ARG A 100 -2.015 -9.781 6.639 1.00 0.00 N ATOM 0 H ARG A 100 -4.964 -5.134 2.606 1.00 0.00 H new ATOM 0 HA ARG A 100 -2.599 -6.080 3.477 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -5.051 -7.680 2.509 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -3.761 -8.419 3.436 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -4.342 -6.186 4.963 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -5.919 -6.591 4.316 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -5.775 -7.733 6.368 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -5.537 -8.960 5.139 1.00 0.00 H new ATOM 0 HE ARG A 100 -3.363 -7.746 6.791 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -4.614 -10.610 4.973 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -3.173 -11.553 5.370 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -1.594 -9.003 7.146 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -1.518 -10.668 6.562 1.00 0.00 H new ATOM 777 N ASN A 101 -2.796 -7.224 0.368 1.00 0.00 N ATOM 778 CA ASN A 101 -1.793 -7.769 -0.595 1.00 0.00 C ATOM 779 C ASN A 101 -0.532 -6.845 -0.816 1.00 0.00 C ATOM 780 O ASN A 101 0.494 -7.341 -1.278 1.00 0.00 O ATOM 781 CB ASN A 101 -2.464 -8.247 -1.889 1.00 0.00 C ATOM 782 CG ASN A 101 -3.098 -7.215 -2.828 1.00 0.00 C ATOM 783 OD1 ASN A 101 -2.642 -6.082 -2.971 1.00 0.00 O ATOM 784 ND2 ASN A 101 -4.156 -7.594 -3.524 1.00 0.00 N ATOM 0 H ASN A 101 -3.698 -6.961 -0.028 1.00 0.00 H new ATOM 0 HA ASN A 101 -1.363 -8.654 -0.126 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -1.717 -8.797 -2.462 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -3.241 -8.959 -1.612 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -4.594 -6.947 -4.179 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -4.534 -8.534 -3.406 1.00 0.00 H new ATOM 785 N ALA A 102 -0.624 -5.554 -0.448 1.00 0.00 N ATOM 786 CA ALA A 102 0.528 -4.678 -0.190 1.00 0.00 C ATOM 787 C ALA A 102 1.131 -4.854 1.249 1.00 0.00 C ATOM 788 O ALA A 102 2.333 -4.681 1.329 1.00 0.00 O ATOM 789 CB ALA A 102 0.128 -3.235 -0.502 1.00 0.00 C ATOM 0 H ALA A 102 -1.520 -5.084 -0.320 1.00 0.00 H new ATOM 0 HA ALA A 102 1.343 -4.968 -0.852 1.00 0.00 H new ATOM 0 HB1 ALA A 102 0.974 -2.574 -0.315 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -0.168 -3.158 -1.548 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -0.708 -2.943 0.134 1.00 0.00 H new ATOM 790 N ALA A 103 0.411 -5.212 2.354 1.00 0.00 N ATOM 791 CA ALA A 103 1.066 -5.693 3.639 1.00 0.00 C ATOM 792 C ALA A 103 1.971 -6.961 3.507 1.00 0.00 C ATOM 793 O ALA A 103 2.966 -7.110 4.205 1.00 0.00 O ATOM 794 CB ALA A 103 0.007 -5.905 4.730 1.00 0.00 C ATOM 0 H ALA A 103 -0.608 -5.182 2.395 1.00 0.00 H new ATOM 0 HA ALA A 103 1.752 -4.892 3.916 1.00 0.00 H new ATOM 0 HB1 ALA A 103 0.490 -6.249 5.644 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -0.509 -4.965 4.924 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -0.714 -6.652 4.397 1.00 0.00 H new ATOM 795 N ILE A 104 1.576 -7.784 2.555 1.00 0.00 N ATOM 796 CA ILE A 104 2.226 -8.997 1.997 1.00 0.00 C ATOM 797 C ILE A 104 3.388 -8.494 1.195 1.00 0.00 C ATOM 798 O ILE A 104 4.438 -8.371 1.792 1.00 0.00 O ATOM 799 CB ILE A 104 1.044 -9.662 1.224 1.00 0.00 C ATOM 800 CG1 ILE A 104 0.093 -10.496 2.110 1.00 0.00 C ATOM 801 CG2 ILE A 104 1.310 -10.480 -0.042 1.00 0.00 C ATOM 802 CD1 ILE A 104 -0.073 -10.003 3.530 1.00 0.00 C ATOM 0 H ILE A 104 0.687 -7.614 2.085 1.00 0.00 H new ATOM 0 HA ILE A 104 2.656 -9.741 2.667 1.00 0.00 H new ATOM 0 HB ILE A 104 0.592 -8.733 0.877 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -0.888 -10.522 1.636 1.00 0.00 H new ATOM 0 HG13 ILE A 104 0.459 -11.522 2.141 1.00 0.00 H new ATOM 0 HG21 ILE A 104 0.367 -10.860 -0.435 1.00 0.00 H new ATOM 0 HG22 ILE A 104 1.786 -9.847 -0.791 1.00 0.00 H new ATOM 0 HG23 ILE A 104 1.967 -11.316 0.197 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -0.760 -10.659 4.065 1.00 0.00 H new ATOM 0 HD12 ILE A 104 0.895 -10.005 4.031 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -0.474 -8.989 3.519 1.00 0.00 H new ATOM 803 N CYS A 105 3.192 -8.063 -0.050 1.00 0.00 N ATOM 804 CA CYS A 105 4.268 -7.542 -0.914 1.00 0.00 C ATOM 805 C CYS A 105 5.351 -6.671 -0.193 1.00 0.00 C ATOM 806 O CYS A 105 6.546 -6.853 -0.404 1.00 0.00 O ATOM 807 CB CYS A 105 3.680 -6.656 -2.004 1.00 0.00 C ATOM 808 SG CYS A 105 2.644 -7.407 -3.234 1.00 0.00 S ATOM 0 H CYS A 105 2.276 -8.063 -0.498 1.00 0.00 H new ATOM 0 HA CYS A 105 4.754 -8.441 -1.293 1.00 0.00 H new ATOM 0 HB2 CYS A 105 3.102 -5.870 -1.517 1.00 0.00 H new ATOM 0 HB3 CYS A 105 4.508 -6.170 -2.519 1.00 0.00 H new ATOM 809 N PHE A 106 4.901 -5.815 0.728 1.00 0.00 N ATOM 810 CA PHE A 106 5.819 -4.978 1.530 1.00 0.00 C ATOM 811 C PHE A 106 6.509 -5.711 2.674 1.00 0.00 C ATOM 812 O PHE A 106 7.709 -5.493 2.876 1.00 0.00 O ATOM 813 CB PHE A 106 5.074 -3.726 1.914 1.00 0.00 C ATOM 814 CG PHE A 106 4.665 -2.819 0.705 1.00 0.00 C ATOM 815 CD1 PHE A 106 5.031 -2.954 -0.667 1.00 0.00 C ATOM 816 CD2 PHE A 106 3.703 -1.886 1.030 1.00 0.00 C ATOM 817 CE1 PHE A 106 4.398 -2.181 -1.633 1.00 0.00 C ATOM 818 CE2 PHE A 106 3.118 -1.062 0.081 1.00 0.00 C ATOM 819 CZ PHE A 106 3.456 -1.222 -1.257 1.00 0.00 C ATOM 0 H PHE A 106 3.913 -5.678 0.942 1.00 0.00 H new ATOM 0 HA PHE A 106 6.682 -4.697 0.927 1.00 0.00 H new ATOM 0 HB2 PHE A 106 4.175 -4.007 2.462 1.00 0.00 H new ATOM 0 HB3 PHE A 106 5.694 -3.144 2.596 1.00 0.00 H new ATOM 0 HD1 PHE A 106 5.799 -3.656 -0.955 1.00 0.00 H new ATOM 0 HD2 PHE A 106 3.394 -1.794 2.061 1.00 0.00 H new ATOM 0 HE1 PHE A 106 4.635 -2.323 -2.677 1.00 0.00 H new ATOM 0 HE2 PHE A 106 2.408 -0.305 0.378 1.00 0.00 H new ATOM 0 HZ PHE A 106 2.989 -0.603 -2.008 1.00 0.00 H new ATOM 820 N SER A 107 5.809 -6.621 3.371 1.00 0.00 N ATOM 821 CA SER A 107 6.515 -7.597 4.232 1.00 0.00 C ATOM 822 C SER A 107 7.509 -8.575 3.557 1.00 0.00 C ATOM 823 O SER A 107 8.480 -8.982 4.202 1.00 0.00 O ATOM 824 CB SER A 107 5.517 -8.375 5.106 1.00 0.00 C ATOM 825 OG SER A 107 6.168 -9.260 6.013 1.00 0.00 O ATOM 0 H SER A 107 4.793 -6.706 3.362 1.00 0.00 H new ATOM 0 HA SER A 107 7.162 -6.958 4.832 1.00 0.00 H new ATOM 0 HB2 SER A 107 4.903 -7.671 5.667 1.00 0.00 H new ATOM 0 HB3 SER A 107 4.844 -8.945 4.466 1.00 0.00 H new ATOM 0 HG SER A 107 5.917 -9.029 6.932 1.00 0.00 H new ATOM 826 N LYS A 108 7.242 -8.946 2.302 1.00 0.00 N ATOM 827 CA LYS A 108 7.833 -10.132 1.686 1.00 0.00 C ATOM 828 C LYS A 108 8.315 -9.819 0.263 1.00 0.00 C ATOM 829 O LYS A 108 9.481 -9.427 0.204 1.00 0.00 O ATOM 830 CB LYS A 108 7.011 -11.411 1.951 1.00 0.00 C ATOM 831 CG LYS A 108 5.510 -11.301 2.279 1.00 0.00 C ATOM 832 CD LYS A 108 4.633 -12.291 1.520 1.00 0.00 C ATOM 833 CE LYS A 108 4.653 -12.132 -0.015 1.00 0.00 C ATOM 834 NZ LYS A 108 3.817 -13.156 -0.666 1.00 0.00 N ATOM 0 H LYS A 108 6.611 -8.432 1.687 1.00 0.00 H new ATOM 0 HA LYS A 108 8.762 -10.411 2.184 1.00 0.00 H new ATOM 0 HB2 LYS A 108 7.106 -12.047 1.071 1.00 0.00 H new ATOM 0 HB3 LYS A 108 7.487 -11.938 2.778 1.00 0.00 H new ATOM 0 HG2 LYS A 108 5.371 -11.455 3.349 1.00 0.00 H new ATOM 0 HG3 LYS A 108 5.173 -10.289 2.056 1.00 0.00 H new ATOM 0 HD2 LYS A 108 4.952 -13.303 1.770 1.00 0.00 H new ATOM 0 HD3 LYS A 108 3.606 -12.185 1.868 1.00 0.00 H new ATOM 0 HE2 LYS A 108 4.294 -11.139 -0.285 1.00 0.00 H new ATOM 0 HE3 LYS A 108 5.678 -12.210 -0.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 3.655 -12.892 -1.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 4.301 -14.076 -0.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 2.904 -13.224 -0.172 1.00 0.00 H new ATOM 835 N ALA A 109 7.540 -9.958 -0.864 1.00 0.00 N ATOM 836 CA ALA A 109 8.128 -9.777 -2.259 1.00 0.00 C ATOM 837 C ALA A 109 9.586 -10.313 -2.446 1.00 0.00 C ATOM 838 O ALA A 109 9.891 -11.351 -1.847 1.00 0.00 O ATOM 839 CB ALA A 109 7.715 -8.373 -2.672 1.00 0.00 C ATOM 0 H ALA A 109 6.546 -10.185 -0.850 1.00 0.00 H new ATOM 0 HA ALA A 109 7.729 -10.448 -3.020 1.00 0.00 H new ATOM 0 HB1 ALA A 109 8.099 -8.159 -3.670 1.00 0.00 H new ATOM 0 HB2 ALA A 109 6.627 -8.301 -2.679 1.00 0.00 H new ATOM 0 HB3 ALA A 109 8.122 -7.651 -1.964 1.00 0.00 H new ATOM 840 N PRO A 110 10.497 -9.701 -3.208 1.00 0.00 N ATOM 841 CA PRO A 110 11.961 -10.056 -3.209 1.00 0.00 C ATOM 842 C PRO A 110 12.864 -9.181 -2.228 1.00 0.00 C ATOM 843 O PRO A 110 14.086 -9.154 -2.388 1.00 0.00 O ATOM 844 CB PRO A 110 12.302 -9.581 -4.668 1.00 0.00 C ATOM 845 CG PRO A 110 11.523 -8.267 -4.711 1.00 0.00 C ATOM 846 CD PRO A 110 10.174 -8.696 -4.216 1.00 0.00 C ATOM 0 HA PRO A 110 12.140 -11.089 -2.912 1.00 0.00 H new ATOM 0 HB2 PRO A 110 13.372 -9.436 -4.819 1.00 0.00 H new ATOM 0 HB3 PRO A 110 11.966 -10.289 -5.426 1.00 0.00 H new ATOM 0 HG2 PRO A 110 11.970 -7.505 -4.072 1.00 0.00 H new ATOM 0 HG3 PRO A 110 11.476 -7.852 -5.718 1.00 0.00 H new ATOM 0 HD2 PRO A 110 9.617 -7.862 -3.790 1.00 0.00 H new ATOM 0 HD3 PRO A 110 9.563 -9.111 -5.018 1.00 0.00 H new ATOM 847 N TYR A 111 12.212 -8.545 -1.237 1.00 0.00 N ATOM 848 CA TYR A 111 12.674 -7.291 -0.603 1.00 0.00 C ATOM 849 C TYR A 111 14.164 -7.132 -0.248 1.00 0.00 C ATOM 850 O TYR A 111 14.790 -7.954 0.428 1.00 0.00 O ATOM 851 CB TYR A 111 11.935 -7.231 0.805 1.00 0.00 C ATOM 852 CG TYR A 111 11.778 -5.809 1.380 1.00 0.00 C ATOM 853 CD1 TYR A 111 12.797 -4.920 1.855 1.00 0.00 C ATOM 854 CD2 TYR A 111 10.526 -5.291 1.134 1.00 0.00 C ATOM 855 CE1 TYR A 111 12.508 -3.554 1.993 1.00 0.00 C ATOM 856 CE2 TYR A 111 10.301 -3.922 1.142 1.00 0.00 C ATOM 857 CZ TYR A 111 11.266 -3.051 1.619 1.00 0.00 C ATOM 858 OH TYR A 111 11.071 -1.702 1.570 1.00 0.00 O ATOM 0 H TYR A 111 11.336 -8.891 -0.847 1.00 0.00 H new ATOM 0 HA TYR A 111 12.467 -6.523 -1.349 1.00 0.00 H new ATOM 0 HB2 TYR A 111 10.947 -7.680 0.703 1.00 0.00 H new ATOM 0 HB3 TYR A 111 12.489 -7.840 1.519 1.00 0.00 H new ATOM 0 HD1 TYR A 111 13.778 -5.298 2.104 1.00 0.00 H new ATOM 0 HD2 TYR A 111 9.705 -5.962 0.931 1.00 0.00 H new ATOM 0 HE1 TYR A 111 13.257 -2.887 2.393 1.00 0.00 H new ATOM 0 HE2 TYR A 111 9.364 -3.532 0.773 1.00 0.00 H new ATOM 0 HH TYR A 111 10.110 -1.511 1.545 1.00 0.00 H new ATOM 859 N ASN A 112 14.673 -6.008 -0.757 1.00 0.00 N ATOM 860 CA ASN A 112 16.007 -5.494 -0.417 1.00 0.00 C ATOM 861 C ASN A 112 15.819 -3.949 -0.285 1.00 0.00 C ATOM 862 O ASN A 112 15.285 -3.246 -1.146 1.00 0.00 O ATOM 863 CB ASN A 112 17.097 -5.854 -1.442 1.00 0.00 C ATOM 864 CG ASN A 112 17.446 -7.343 -1.526 1.00 0.00 C ATOM 865 OD1 ASN A 112 17.954 -7.933 -0.573 1.00 0.00 O ATOM 866 ND2 ASN A 112 17.189 -7.981 -2.655 1.00 0.00 N ATOM 0 H ASN A 112 14.169 -5.422 -1.423 1.00 0.00 H new ATOM 0 HA ASN A 112 16.369 -5.953 0.503 1.00 0.00 H new ATOM 0 HB2 ASN A 112 16.773 -5.517 -2.427 1.00 0.00 H new ATOM 0 HB3 ASN A 112 18.002 -5.298 -1.197 1.00 0.00 H new ATOM 0 HD21 ASN A 112 17.412 -8.972 -2.743 1.00 0.00 H new ATOM 0 HD22 ASN A 112 16.768 -7.482 -3.438 1.00 0.00 H new ATOM 867 N LYS A 113 16.345 -3.514 0.855 1.00 0.00 N ATOM 868 CA LYS A 113 16.280 -2.153 1.418 1.00 0.00 C ATOM 869 C LYS A 113 17.386 -1.179 1.031 1.00 0.00 C ATOM 870 O LYS A 113 18.241 -0.740 1.804 1.00 0.00 O ATOM 871 CB LYS A 113 16.080 -2.293 2.926 1.00 0.00 C ATOM 872 CG LYS A 113 16.984 -3.229 3.743 1.00 0.00 C ATOM 873 CD LYS A 113 18.499 -3.211 3.604 1.00 0.00 C ATOM 874 CE LYS A 113 19.078 -4.121 2.510 1.00 0.00 C ATOM 875 NZ LYS A 113 20.541 -4.237 2.631 1.00 0.00 N ATOM 0 H LYS A 113 16.869 -4.144 1.462 1.00 0.00 H new ATOM 0 HA LYS A 113 15.431 -1.654 0.951 1.00 0.00 H new ATOM 0 HB2 LYS A 113 16.172 -1.297 3.358 1.00 0.00 H new ATOM 0 HB3 LYS A 113 15.051 -2.616 3.087 1.00 0.00 H new ATOM 0 HG2 LYS A 113 16.763 -3.042 4.794 1.00 0.00 H new ATOM 0 HG3 LYS A 113 16.661 -4.247 3.526 1.00 0.00 H new ATOM 0 HD2 LYS A 113 18.815 -2.187 3.404 1.00 0.00 H new ATOM 0 HD3 LYS A 113 18.937 -3.499 4.560 1.00 0.00 H new ATOM 0 HE2 LYS A 113 18.625 -5.110 2.579 1.00 0.00 H new ATOM 0 HE3 LYS A 113 18.822 -3.722 1.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 20.903 -4.857 1.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 20.973 -3.295 2.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 20.782 -4.641 3.559 1.00 0.00 H new ATOM 876 N GLU A 114 17.352 -0.818 -0.249 1.00 0.00 N ATOM 877 CA GLU A 114 18.634 -0.821 -1.002 1.00 0.00 C ATOM 878 C GLU A 114 18.679 0.312 -2.013 1.00 0.00 C ATOM 879 O GLU A 114 19.574 1.160 -1.997 1.00 0.00 O ATOM 880 CB GLU A 114 18.938 -2.315 -1.272 1.00 0.00 C ATOM 881 CG GLU A 114 18.850 -2.750 -2.688 1.00 0.00 C ATOM 882 CD GLU A 114 20.084 -2.647 -3.544 1.00 0.00 C ATOM 883 OE1 GLU A 114 21.042 -3.414 -3.448 1.00 0.00 O ATOM 884 OE2 GLU A 114 20.009 -1.610 -4.438 1.00 0.00 O ATOM 0 H GLU A 114 16.522 -0.536 -0.771 1.00 0.00 H new ATOM 0 HA GLU A 114 19.558 -0.506 -0.518 1.00 0.00 H new ATOM 0 HB2 GLU A 114 19.942 -2.533 -0.907 1.00 0.00 H new ATOM 0 HB3 GLU A 114 18.247 -2.918 -0.683 1.00 0.00 H new ATOM 0 HG2 GLU A 114 18.525 -3.790 -2.697 1.00 0.00 H new ATOM 0 HG3 GLU A 114 18.064 -2.167 -3.167 1.00 0.00 H new ATOM 885 N HIS A 115 17.612 0.336 -2.824 1.00 0.00 N ATOM 886 CA HIS A 115 17.112 1.539 -3.505 1.00 0.00 C ATOM 887 C HIS A 115 16.064 2.169 -2.509 1.00 0.00 C ATOM 888 O HIS A 115 14.857 2.208 -2.715 1.00 0.00 O ATOM 889 CB HIS A 115 16.688 1.170 -4.955 1.00 0.00 C ATOM 890 CG HIS A 115 15.420 0.370 -5.210 1.00 0.00 C ATOM 891 ND1 HIS A 115 15.381 -0.955 -4.770 1.00 0.00 N flip ATOM 892 CD2 HIS A 115 14.175 0.945 -5.081 1.00 0.00 C flip ATOM 893 CE1 HIS A 115 14.160 -1.278 -4.232 1.00 0.00 C flip ATOM 894 NE2 HIS A 115 13.607 -0.025 -4.290 1.00 0.00 N flip ATOM 0 H HIS A 115 17.061 -0.497 -3.029 1.00 0.00 H new ATOM 0 HA HIS A 115 17.834 2.332 -3.701 1.00 0.00 H new ATOM 0 HB2 HIS A 115 16.596 2.103 -5.510 1.00 0.00 H new ATOM 0 HB3 HIS A 115 17.514 0.614 -5.400 1.00 0.00 H new ATOM 0 HD2 HIS A 115 13.773 1.866 -5.476 1.00 0.00 H new ATOM 0 HE1 HIS A 115 13.763 -2.217 -3.877 1.00 0.00 H new ATOM 0 HE2 HIS A 115 12.772 0.188 -3.745 1.00 0.00 H new ATOM 895 N LYS A 116 16.486 2.626 -1.341 1.00 0.00 N ATOM 896 CA LYS A 116 15.751 3.484 -0.441 1.00 0.00 C ATOM 897 C LYS A 116 16.220 4.886 -0.780 1.00 0.00 C ATOM 898 O LYS A 116 17.353 5.115 -1.241 1.00 0.00 O ATOM 899 CB LYS A 116 16.242 2.908 0.906 1.00 0.00 C ATOM 900 CG LYS A 116 16.181 3.898 2.040 1.00 0.00 C ATOM 901 CD LYS A 116 15.138 3.513 3.052 1.00 0.00 C ATOM 902 CE LYS A 116 15.048 4.636 4.090 1.00 0.00 C ATOM 903 NZ LYS A 116 14.494 4.213 5.385 1.00 0.00 N ATOM 0 H LYS A 116 17.410 2.390 -0.978 1.00 0.00 H new ATOM 0 HA LYS A 116 14.662 3.525 -0.465 1.00 0.00 H new ATOM 0 HB2 LYS A 116 15.638 2.037 1.161 1.00 0.00 H new ATOM 0 HB3 LYS A 116 17.269 2.561 0.791 1.00 0.00 H new ATOM 0 HG2 LYS A 116 17.155 3.958 2.525 1.00 0.00 H new ATOM 0 HG3 LYS A 116 15.959 4.890 1.647 1.00 0.00 H new ATOM 0 HD2 LYS A 116 14.173 3.364 2.567 1.00 0.00 H new ATOM 0 HD3 LYS A 116 15.402 2.571 3.532 1.00 0.00 H new ATOM 0 HE2 LYS A 116 16.044 5.049 4.250 1.00 0.00 H new ATOM 0 HE3 LYS A 116 14.431 5.439 3.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 15.032 4.659 6.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 13.497 4.502 5.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 14.561 3.179 5.470 1.00 0.00 H new ATOM 904 N ASN A 117 15.383 5.858 -0.350 1.00 0.00 N ATOM 905 CA ASN A 117 15.884 7.232 -0.025 1.00 0.00 C ATOM 906 C ASN A 117 15.827 8.134 -1.263 1.00 0.00 C ATOM 907 O ASN A 117 15.207 9.199 -1.240 1.00 0.00 O ATOM 908 CB ASN A 117 17.250 7.145 0.732 1.00 0.00 C ATOM 909 CG ASN A 117 17.458 8.165 1.828 1.00 0.00 C ATOM 910 OD1 ASN A 117 17.834 9.308 1.573 1.00 0.00 O ATOM 911 ND2 ASN A 117 17.218 7.788 3.073 1.00 0.00 N ATOM 0 H ASN A 117 14.379 5.731 -0.219 1.00 0.00 H new ATOM 0 HA ASN A 117 15.226 7.736 0.684 1.00 0.00 H new ATOM 0 HB2 ASN A 117 17.341 6.149 1.166 1.00 0.00 H new ATOM 0 HB3 ASN A 117 18.055 7.251 0.005 1.00 0.00 H new ATOM 0 HD21 ASN A 117 17.344 8.449 3.839 1.00 0.00 H new ATOM 0 HD22 ASN A 117 16.907 6.836 3.267 1.00 0.00 H new ATOM 912 N LEU A 118 16.468 7.578 -2.315 1.00 0.00 N ATOM 913 CA LEU A 118 16.281 7.964 -3.738 1.00 0.00 C ATOM 914 C LEU A 118 16.081 9.470 -4.009 1.00 0.00 C ATOM 915 O LEU A 118 16.775 10.316 -3.435 1.00 0.00 O ATOM 916 CB LEU A 118 15.316 6.941 -4.367 1.00 0.00 C ATOM 917 CG LEU A 118 15.871 5.494 -4.460 1.00 0.00 C ATOM 918 CD1 LEU A 118 14.656 4.593 -4.361 1.00 0.00 C ATOM 919 CD2 LEU A 118 16.464 4.972 -5.758 1.00 0.00 C ATOM 0 H LEU A 118 17.149 6.828 -2.198 1.00 0.00 H new ATOM 0 HA LEU A 118 17.216 7.887 -4.292 1.00 0.00 H new ATOM 0 HB2 LEU A 118 14.395 6.925 -3.784 1.00 0.00 H new ATOM 0 HB3 LEU A 118 15.053 7.279 -5.369 1.00 0.00 H new ATOM 0 HG LEU A 118 16.662 5.500 -3.710 1.00 0.00 H new ATOM 0 HD11 LEU A 118 14.970 3.551 -4.419 1.00 0.00 H new ATOM 0 HD12 LEU A 118 14.150 4.767 -3.411 1.00 0.00 H new ATOM 0 HD13 LEU A 118 13.973 4.812 -5.181 1.00 0.00 H new ATOM 0 HD21 LEU A 118 16.795 3.943 -5.619 1.00 0.00 H new ATOM 0 HD22 LEU A 118 15.709 5.007 -6.543 1.00 0.00 H new ATOM 0 HD23 LEU A 118 17.314 5.591 -6.044 1.00 0.00 H new ATOM 920 N ASP A 119 15.188 9.768 -4.952 1.00 0.00 N ATOM 921 CA ASP A 119 15.155 11.052 -5.687 1.00 0.00 C ATOM 922 C ASP A 119 13.833 11.111 -6.459 1.00 0.00 C ATOM 923 O ASP A 119 12.957 11.920 -6.134 1.00 0.00 O ATOM 924 CB ASP A 119 16.449 11.124 -6.518 1.00 0.00 C ATOM 925 CG ASP A 119 16.948 12.440 -7.045 1.00 0.00 C ATOM 926 OD1 ASP A 119 17.045 13.393 -6.063 1.00 0.00 O ATOM 927 OD2 ASP A 119 17.262 12.622 -8.221 1.00 0.00 O ATOM 0 H ASP A 119 14.453 9.122 -5.238 1.00 0.00 H new ATOM 0 HA ASP A 119 15.155 11.945 -5.062 1.00 0.00 H new ATOM 0 HB2 ASP A 119 17.246 10.699 -5.908 1.00 0.00 H new ATOM 0 HB3 ASP A 119 16.317 10.464 -7.375 1.00 0.00 H new ATOM 928 N THR A 120 13.688 10.195 -7.410 1.00 0.00 N ATOM 929 CA THR A 120 12.422 9.766 -8.020 1.00 0.00 C ATOM 930 C THR A 120 12.231 10.303 -9.438 1.00 0.00 C ATOM 931 O THR A 120 11.157 10.807 -9.774 1.00 0.00 O ATOM 932 CB THR A 120 11.165 9.619 -7.115 1.00 0.00 C ATOM 933 OG1 THR A 120 10.419 10.825 -7.003 1.00 0.00 O ATOM 934 CG2 THR A 120 11.538 9.133 -5.696 1.00 0.00 C ATOM 0 H THR A 120 14.490 9.701 -7.801 1.00 0.00 H new ATOM 0 HA THR A 120 12.561 8.693 -8.155 1.00 0.00 H new ATOM 0 HB THR A 120 10.542 8.873 -7.608 1.00 0.00 H new ATOM 0 HG1 THR A 120 11.002 11.541 -6.673 1.00 0.00 H new ATOM 0 HG21 THR A 120 10.634 9.042 -5.093 1.00 0.00 H new ATOM 0 HG22 THR A 120 12.030 8.162 -5.761 1.00 0.00 H new ATOM 0 HG23 THR A 120 12.214 9.851 -5.231 1.00 0.00 H new ATOM 935 N LYS A 121 13.297 10.141 -10.252 1.00 0.00 N ATOM 936 CA LYS A 121 13.399 10.640 -11.665 1.00 0.00 C ATOM 937 C LYS A 121 14.302 9.644 -12.470 1.00 0.00 C ATOM 938 O LYS A 121 13.883 9.014 -13.442 1.00 0.00 O ATOM 939 CB LYS A 121 14.042 12.048 -11.616 1.00 0.00 C ATOM 940 CG LYS A 121 13.075 13.094 -11.074 1.00 0.00 C ATOM 941 CD LYS A 121 13.690 14.104 -10.109 1.00 0.00 C ATOM 942 CE LYS A 121 13.976 13.430 -8.749 1.00 0.00 C ATOM 943 NZ LYS A 121 14.351 14.435 -7.738 1.00 0.00 N ATOM 0 H LYS A 121 14.138 9.649 -9.949 1.00 0.00 H new ATOM 0 HA LYS A 121 12.424 10.702 -12.149 1.00 0.00 H new ATOM 0 HB2 LYS A 121 14.934 12.019 -10.990 1.00 0.00 H new ATOM 0 HB3 LYS A 121 14.364 12.335 -12.617 1.00 0.00 H new ATOM 0 HG2 LYS A 121 12.641 13.635 -11.915 1.00 0.00 H new ATOM 0 HG3 LYS A 121 12.257 12.582 -10.568 1.00 0.00 H new ATOM 0 HD2 LYS A 121 14.614 14.503 -10.528 1.00 0.00 H new ATOM 0 HD3 LYS A 121 13.012 14.947 -9.971 1.00 0.00 H new ATOM 0 HE2 LYS A 121 13.094 12.883 -8.416 1.00 0.00 H new ATOM 0 HE3 LYS A 121 14.779 12.702 -8.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 14.539 13.962 -6.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 15.206 14.939 -8.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 13.573 15.115 -7.619 1.00 0.00 H new ATOM 944 N LYS A 122 15.501 9.485 -11.912 1.00 0.00 N ATOM 945 CA LYS A 122 16.350 8.308 -12.008 1.00 0.00 C ATOM 946 C LYS A 122 15.650 6.947 -11.495 1.00 0.00 C ATOM 947 O LYS A 122 15.829 5.862 -12.044 1.00 0.00 O ATOM 948 CB LYS A 122 17.316 8.710 -10.807 1.00 0.00 C ATOM 949 CG LYS A 122 18.446 9.627 -11.125 1.00 0.00 C ATOM 950 CD LYS A 122 19.338 9.938 -9.918 1.00 0.00 C ATOM 951 CE LYS A 122 20.060 11.244 -10.224 1.00 0.00 C ATOM 952 NZ LYS A 122 21.011 11.648 -9.174 1.00 0.00 N ATOM 0 H LYS A 122 15.927 10.220 -11.348 1.00 0.00 H new ATOM 0 HA LYS A 122 16.714 8.114 -13.017 1.00 0.00 H new ATOM 0 HB2 LYS A 122 16.712 9.175 -10.028 1.00 0.00 H new ATOM 0 HB3 LYS A 122 17.731 7.795 -10.385 1.00 0.00 H new ATOM 0 HG2 LYS A 122 19.055 9.182 -11.912 1.00 0.00 H new ATOM 0 HG3 LYS A 122 18.046 10.560 -11.521 1.00 0.00 H new ATOM 0 HD2 LYS A 122 18.741 10.031 -9.011 1.00 0.00 H new ATOM 0 HD3 LYS A 122 20.053 9.133 -9.749 1.00 0.00 H new ATOM 0 HE2 LYS A 122 20.595 11.142 -11.168 1.00 0.00 H new ATOM 0 HE3 LYS A 122 19.322 12.035 -10.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 21.467 12.543 -9.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 20.503 11.776 -8.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 21.736 10.911 -9.060 1.00 0.00 H new ATOM 953 N TYR A 123 14.898 7.166 -10.412 1.00 0.00 N ATOM 954 CA TYR A 123 14.357 6.224 -9.425 1.00 0.00 C ATOM 955 C TYR A 123 12.830 6.172 -9.287 1.00 0.00 C ATOM 956 O TYR A 123 12.351 5.461 -8.411 1.00 0.00 O ATOM 957 CB TYR A 123 14.986 6.968 -8.206 1.00 0.00 C ATOM 958 CG TYR A 123 16.516 6.877 -8.044 1.00 0.00 C ATOM 959 CD1 TYR A 123 17.339 5.961 -8.718 1.00 0.00 C ATOM 960 CD2 TYR A 123 17.113 7.825 -7.238 1.00 0.00 C ATOM 961 CE1 TYR A 123 18.716 6.142 -8.711 1.00 0.00 C ATOM 962 CE2 TYR A 123 18.491 7.977 -7.195 1.00 0.00 C ATOM 963 CZ TYR A 123 19.307 7.130 -7.933 1.00 0.00 C ATOM 964 OH TYR A 123 20.649 7.362 -8.016 1.00 0.00 O ATOM 0 H TYR A 123 14.621 8.120 -10.178 1.00 0.00 H new ATOM 0 HA TYR A 123 14.574 5.173 -9.617 1.00 0.00 H new ATOM 0 HB2 TYR A 123 14.715 8.021 -8.275 1.00 0.00 H new ATOM 0 HB3 TYR A 123 14.525 6.579 -7.298 1.00 0.00 H new ATOM 0 HD1 TYR A 123 16.904 5.121 -9.239 1.00 0.00 H new ATOM 0 HD2 TYR A 123 16.493 8.463 -6.626 1.00 0.00 H new ATOM 0 HE1 TYR A 123 19.338 5.504 -9.321 1.00 0.00 H new ATOM 0 HE2 TYR A 123 18.930 8.755 -6.587 1.00 0.00 H new ATOM 0 HH TYR A 123 20.894 8.088 -7.405 1.00 0.00 H new ATOM 965 N CYS A 124 12.088 6.911 -10.129 1.00 0.00 N ATOM 966 CA CYS A 124 10.620 6.828 -10.181 1.00 0.00 C ATOM 967 C CYS A 124 10.239 5.664 -11.113 1.00 0.00 C ATOM 968 O CYS A 124 10.179 5.752 -12.340 1.00 0.00 O ATOM 969 CB CYS A 124 9.866 8.108 -10.522 1.00 0.00 C ATOM 970 SG CYS A 124 8.842 8.659 -9.149 1.00 0.00 S ATOM 971 OXT CYS A 124 9.999 4.512 -10.420 1.00 0.00 O ATOM 0 H CYS A 124 12.487 7.579 -10.789 1.00 0.00 H new ATOM 0 HA CYS A 124 10.291 6.648 -9.158 1.00 0.00 H new ATOM 0 HB2 CYS A 124 10.577 8.891 -10.783 1.00 0.00 H new ATOM 0 HB3 CYS A 124 9.240 7.940 -11.399 1.00 0.00 H new