USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 497 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 73 ASN : amide:sc= 0.147 K(o=0.36,f=-0.63) USER MOD Set 1.2: A 76 THR OG1 : rot -87:sc= 0.216 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 70 TYR OH : rot 178:sc= 0.122 USER MOD Single : A 74 TYR OH : rot 30:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.455 K(o=-0.45,f=-3.2!) USER MOD Single : A 82 LYS NZ :NH3+ 172:sc=-0.00078 (180deg=-0.0938) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ -173:sc= -0.0024 (180deg=-0.0713) USER MOD Single : A 96 MET CE :methyl -155:sc= -0.121 (180deg=-1.05) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 109 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 GLN : amide:sc=-0.00207 X(o=-0.0021,f=0) USER MOD Single : A 118 GLN : amide:sc= -0.843 K(o=-0.84,f=-0.19) USER MOD ----------------------------------------------------------------- ATOM 1 N TRP A 59 -2.864 -12.284 0.301 1.00 0.00 N ATOM 2 CA TRP A 59 -2.314 -10.913 0.328 1.00 0.00 C ATOM 3 C TRP A 59 -3.106 -10.032 -0.588 1.00 0.00 C ATOM 4 O TRP A 59 -2.671 -9.694 -1.683 1.00 0.00 O ATOM 5 CB TRP A 59 -0.803 -10.965 0.010 1.00 0.00 C ATOM 6 CG TRP A 59 -0.017 -11.741 1.045 1.00 0.00 C ATOM 7 CD1 TRP A 59 0.404 -11.316 2.272 1.00 0.00 C ATOM 8 CD2 TRP A 59 0.435 -13.102 0.918 1.00 0.00 C ATOM 9 NE1 TRP A 59 1.093 -12.314 2.909 1.00 0.00 N ATOM 10 CE2 TRP A 59 1.120 -13.419 2.091 1.00 0.00 C ATOM 11 CE3 TRP A 59 0.292 -14.015 -0.087 1.00 0.00 C ATOM 12 CZ2 TRP A 59 1.673 -14.653 2.278 1.00 0.00 C ATOM 13 CZ3 TRP A 59 0.847 -15.265 0.102 1.00 0.00 C ATOM 14 CH2 TRP A 59 1.527 -15.578 1.267 1.00 0.00 C ATOM 0 HA TRP A 59 -2.405 -10.470 1.320 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -0.657 -11.421 -0.969 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -0.413 -9.949 -0.050 1.00 0.00 H new ATOM 0 HD1 TRP A 59 0.220 -10.334 2.682 1.00 0.00 H new ATOM 0 HE1 TRP A 59 1.515 -12.248 3.835 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -0.236 -13.768 -0.996 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 2.206 -14.896 3.186 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 0.749 -16.012 -0.672 1.00 0.00 H new ATOM 0 HH2 TRP A 59 1.950 -16.564 1.385 1.00 0.00 H new ATOM 27 N ILE A 60 -4.338 -9.682 -0.154 1.00 0.00 N ATOM 28 CA ILE A 60 -5.350 -9.144 -1.032 1.00 0.00 C ATOM 29 C ILE A 60 -6.310 -8.256 -0.307 1.00 0.00 C ATOM 30 O ILE A 60 -6.410 -7.069 -0.607 1.00 0.00 O ATOM 31 CB ILE A 60 -6.170 -10.126 -1.852 1.00 0.00 C ATOM 32 CG1 ILE A 60 -5.981 -11.610 -1.474 1.00 0.00 C ATOM 33 CG2 ILE A 60 -5.817 -9.856 -3.325 1.00 0.00 C ATOM 34 CD1 ILE A 60 -6.453 -11.917 -0.056 1.00 0.00 C ATOM 0 H ILE A 60 -4.638 -9.772 0.817 1.00 0.00 H new ATOM 0 HA ILE A 60 -4.732 -8.597 -1.744 1.00 0.00 H new ATOM 0 HB ILE A 60 -7.228 -9.960 -1.647 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -6.530 -12.234 -2.179 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.928 -11.874 -1.568 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -6.380 -10.536 -3.965 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -6.072 -8.827 -3.577 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -4.749 -10.014 -3.478 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -6.297 -12.974 0.158 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -5.886 -11.315 0.654 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -7.513 -11.681 0.034 1.00 0.00 H new ATOM 46 N ALA A 61 -7.059 -8.825 0.655 1.00 0.00 N ATOM 47 CA ALA A 61 -8.089 -8.134 1.362 1.00 0.00 C ATOM 48 C ALA A 61 -7.454 -7.491 2.541 1.00 0.00 C ATOM 49 O ALA A 61 -8.071 -6.664 3.207 1.00 0.00 O ATOM 50 CB ALA A 61 -9.171 -9.085 1.896 1.00 0.00 C ATOM 0 H ALA A 61 -6.943 -9.795 0.949 1.00 0.00 H new ATOM 0 HA ALA A 61 -8.559 -7.426 0.679 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -9.931 -8.511 2.426 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -9.632 -9.616 1.063 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -8.719 -9.804 2.579 1.00 0.00 H new ATOM 56 N ARG A 62 -6.187 -7.862 2.813 1.00 0.00 N ATOM 57 CA ARG A 62 -5.425 -7.256 3.860 1.00 0.00 C ATOM 58 C ARG A 62 -4.917 -5.921 3.398 1.00 0.00 C ATOM 59 O ARG A 62 -4.607 -5.069 4.227 1.00 0.00 O ATOM 60 CB ARG A 62 -4.237 -8.106 4.351 1.00 0.00 C ATOM 61 CG ARG A 62 -3.823 -9.279 3.455 1.00 0.00 C ATOM 62 CD ARG A 62 -2.547 -9.964 3.973 1.00 0.00 C ATOM 63 NE ARG A 62 -2.795 -10.530 5.331 1.00 0.00 N ATOM 64 CZ ARG A 62 -1.762 -11.001 6.093 1.00 0.00 C ATOM 65 NH1 ARG A 62 -0.473 -10.892 5.661 1.00 0.00 N ATOM 66 NH2 ARG A 62 -2.023 -11.584 7.301 1.00 0.00 N ATOM 0 H ARG A 62 -5.688 -8.589 2.301 1.00 0.00 H new ATOM 0 HA ARG A 62 -6.102 -7.155 4.708 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -3.375 -7.450 4.475 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.483 -8.499 5.337 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.634 -10.006 3.409 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.658 -8.921 2.439 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -2.245 -10.756 3.288 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -1.728 -9.246 4.012 1.00 0.00 H new ATOM 0 HE ARG A 62 -3.747 -10.566 5.695 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -0.272 -10.456 4.761 1.00 0.00 H new ATOM 0 HH12 ARG A 62 0.290 -11.247 6.238 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -2.985 -11.666 7.630 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -1.256 -11.937 7.873 1.00 0.00 H new ATOM 80 N ILE A 63 -4.832 -5.699 2.068 1.00 0.00 N ATOM 81 CA ILE A 63 -4.426 -4.488 1.463 1.00 0.00 C ATOM 82 C ILE A 63 -5.573 -3.551 1.514 1.00 0.00 C ATOM 83 O ILE A 63 -5.394 -2.370 1.791 1.00 0.00 O ATOM 84 CB ILE A 63 -4.143 -4.718 0.004 1.00 0.00 C ATOM 85 CG1 ILE A 63 -3.241 -5.946 -0.176 1.00 0.00 C ATOM 86 CG2 ILE A 63 -3.458 -3.455 -0.494 1.00 0.00 C ATOM 87 CD1 ILE A 63 -2.960 -6.314 -1.632 1.00 0.00 C ATOM 0 H ILE A 63 -5.064 -6.419 1.384 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.543 -4.106 1.976 1.00 0.00 H new ATOM 0 HB ILE A 63 -5.055 -4.914 -0.560 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.293 -5.762 0.329 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.706 -6.799 0.319 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.226 -3.561 -1.554 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -4.121 -2.601 -0.351 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.536 -3.296 0.066 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.316 -7.192 -1.667 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.899 -6.532 -2.140 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -2.464 -5.480 -2.129 1.00 0.00 H new ATOM 99 N ASN A 64 -6.784 -4.072 1.234 1.00 0.00 N ATOM 100 CA ASN A 64 -7.987 -3.293 1.200 1.00 0.00 C ATOM 101 C ASN A 64 -8.242 -2.784 2.571 1.00 0.00 C ATOM 102 O ASN A 64 -8.680 -1.653 2.774 1.00 0.00 O ATOM 103 CB ASN A 64 -9.193 -4.167 0.835 1.00 0.00 C ATOM 104 CG ASN A 64 -10.365 -3.267 0.448 1.00 0.00 C ATOM 105 OD1 ASN A 64 -10.298 -2.505 -0.524 1.00 0.00 O ATOM 106 ND2 ASN A 64 -11.466 -3.370 1.252 1.00 0.00 N ATOM 0 H ASN A 64 -6.931 -5.060 1.026 1.00 0.00 H new ATOM 0 HA ASN A 64 -7.864 -2.496 0.467 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.940 -4.831 0.008 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -9.468 -4.800 1.679 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -12.290 -2.800 1.063 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -11.463 -4.017 2.040 1.00 0.00 H new ATOM 113 N ALA A 65 -7.936 -3.658 3.542 1.00 0.00 N ATOM 114 CA ALA A 65 -8.153 -3.384 4.932 1.00 0.00 C ATOM 115 C ALA A 65 -7.103 -2.454 5.446 1.00 0.00 C ATOM 116 O ALA A 65 -7.321 -1.775 6.448 1.00 0.00 O ATOM 117 CB ALA A 65 -8.091 -4.647 5.802 1.00 0.00 C ATOM 0 H ALA A 65 -7.529 -4.576 3.362 1.00 0.00 H new ATOM 0 HA ALA A 65 -9.150 -2.948 4.998 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -8.262 -4.379 6.845 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.858 -5.350 5.477 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.109 -5.109 5.703 1.00 0.00 H new ATOM 123 N ALA A 66 -5.932 -2.398 4.781 1.00 0.00 N ATOM 124 CA ALA A 66 -4.885 -1.532 5.234 1.00 0.00 C ATOM 125 C ALA A 66 -5.171 -0.112 4.853 1.00 0.00 C ATOM 126 O ALA A 66 -4.930 0.803 5.640 1.00 0.00 O ATOM 127 CB ALA A 66 -3.527 -1.883 4.612 1.00 0.00 C ATOM 0 H ALA A 66 -5.713 -2.941 3.946 1.00 0.00 H new ATOM 0 HA ALA A 66 -4.844 -1.659 6.316 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -2.767 -1.198 4.987 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -3.258 -2.905 4.879 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -3.590 -1.796 3.527 1.00 0.00 H new ATOM 133 N VAL A 67 -5.661 0.105 3.614 1.00 0.00 N ATOM 134 CA VAL A 67 -5.610 1.397 3.003 1.00 0.00 C ATOM 135 C VAL A 67 -6.854 2.178 3.259 1.00 0.00 C ATOM 136 O VAL A 67 -6.941 3.341 2.871 1.00 0.00 O ATOM 137 CB VAL A 67 -5.405 1.319 1.510 1.00 0.00 C ATOM 138 CG1 VAL A 67 -4.036 0.682 1.227 1.00 0.00 C ATOM 139 CG2 VAL A 67 -6.558 0.565 0.822 1.00 0.00 C ATOM 0 H VAL A 67 -6.092 -0.617 3.037 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.756 1.899 3.457 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.413 2.324 1.088 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.879 0.621 0.150 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.251 1.292 1.675 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.005 -0.320 1.655 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.378 0.527 -0.252 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.615 -0.450 1.216 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.498 1.083 1.015 1.00 0.00 H new ATOM 149 N ARG A 68 -7.851 1.563 3.925 1.00 0.00 N ATOM 150 CA ARG A 68 -9.140 2.170 4.099 1.00 0.00 C ATOM 151 C ARG A 68 -9.122 3.146 5.240 1.00 0.00 C ATOM 152 O ARG A 68 -10.125 3.808 5.504 1.00 0.00 O ATOM 153 CB ARG A 68 -10.252 1.123 4.318 1.00 0.00 C ATOM 154 CG ARG A 68 -10.005 0.180 5.501 1.00 0.00 C ATOM 155 CD ARG A 68 -11.028 -0.957 5.566 1.00 0.00 C ATOM 156 NE ARG A 68 -12.357 -0.376 5.909 1.00 0.00 N ATOM 157 CZ ARG A 68 -13.431 -1.185 6.152 1.00 0.00 C ATOM 158 NH1 ARG A 68 -13.324 -2.537 6.004 1.00 0.00 N ATOM 159 NH2 ARG A 68 -14.617 -0.636 6.548 1.00 0.00 N ATOM 0 H ARG A 68 -7.764 0.638 4.346 1.00 0.00 H new ATOM 0 HA ARG A 68 -9.364 2.704 3.176 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -11.198 1.642 4.473 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -10.359 0.529 3.411 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -9.003 -0.241 5.423 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -10.040 0.750 6.430 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -11.077 -1.478 4.610 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -10.731 -1.692 6.314 1.00 0.00 H new ATOM 0 HE ARG A 68 -12.466 0.637 5.963 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -12.438 -2.949 5.710 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -14.129 -3.135 6.187 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -14.699 0.374 6.661 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -15.421 -1.236 6.730 1.00 0.00 H new ATOM 173 N ALA A 69 -7.960 3.290 5.912 1.00 0.00 N ATOM 174 CA ALA A 69 -7.772 4.323 6.886 1.00 0.00 C ATOM 175 C ALA A 69 -7.641 5.634 6.172 1.00 0.00 C ATOM 176 O ALA A 69 -8.100 6.661 6.668 1.00 0.00 O ATOM 177 CB ALA A 69 -6.482 4.147 7.703 1.00 0.00 C ATOM 0 H ALA A 69 -7.148 2.687 5.778 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.628 4.281 7.559 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -6.394 4.960 8.424 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -6.513 3.194 8.232 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -5.622 4.162 7.033 1.00 0.00 H new ATOM 183 N TYR A 70 -6.991 5.620 4.991 1.00 0.00 N ATOM 184 CA TYR A 70 -6.594 6.826 4.327 1.00 0.00 C ATOM 185 C TYR A 70 -7.763 7.418 3.614 1.00 0.00 C ATOM 186 O TYR A 70 -8.055 8.602 3.773 1.00 0.00 O ATOM 187 CB TYR A 70 -5.482 6.576 3.288 1.00 0.00 C ATOM 188 CG TYR A 70 -4.359 5.842 3.948 1.00 0.00 C ATOM 189 CD1 TYR A 70 -3.752 6.337 5.090 1.00 0.00 C ATOM 190 CD2 TYR A 70 -3.922 4.639 3.425 1.00 0.00 C ATOM 191 CE1 TYR A 70 -2.769 5.611 5.729 1.00 0.00 C ATOM 192 CE2 TYR A 70 -2.932 3.913 4.061 1.00 0.00 C ATOM 193 CZ TYR A 70 -2.369 4.393 5.224 1.00 0.00 C ATOM 194 OH TYR A 70 -1.380 3.649 5.898 1.00 0.00 O ATOM 0 H TYR A 70 -6.739 4.766 4.493 1.00 0.00 H new ATOM 0 HA TYR A 70 -6.216 7.502 5.094 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -5.871 5.996 2.451 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -5.126 7.523 2.881 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -4.050 7.298 5.483 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -4.358 4.263 2.511 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -2.312 5.998 6.628 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -2.601 2.972 3.647 1.00 0.00 H new ATOM 0 HH TYR A 70 -1.235 2.800 5.431 1.00 0.00 H new ATOM 204 N GLY A 71 -8.452 6.595 2.801 1.00 0.00 N ATOM 205 CA GLY A 71 -9.456 7.092 1.907 1.00 0.00 C ATOM 206 C GLY A 71 -9.220 6.377 0.625 1.00 0.00 C ATOM 207 O GLY A 71 -10.067 6.373 -0.267 1.00 0.00 O ATOM 0 H GLY A 71 -8.314 5.585 2.762 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -10.457 6.895 2.290 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -9.370 8.171 1.778 1.00 0.00 H new ATOM 211 N LEU A 72 -8.038 5.737 0.529 1.00 0.00 N ATOM 212 CA LEU A 72 -7.698 4.904 -0.582 1.00 0.00 C ATOM 213 C LEU A 72 -8.493 3.674 -0.425 1.00 0.00 C ATOM 214 O LEU A 72 -8.793 3.245 0.686 1.00 0.00 O ATOM 215 CB LEU A 72 -6.217 4.510 -0.579 1.00 0.00 C ATOM 216 CG LEU A 72 -5.262 5.706 -0.755 1.00 0.00 C ATOM 217 CD1 LEU A 72 -3.799 5.255 -0.637 1.00 0.00 C ATOM 218 CD2 LEU A 72 -5.501 6.427 -2.089 1.00 0.00 C ATOM 0 H LEU A 72 -7.306 5.800 1.237 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.896 5.438 -1.511 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.985 4.005 0.359 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.039 3.792 -1.380 1.00 0.00 H new ATOM 0 HG LEU A 72 -5.471 6.415 0.046 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.142 6.115 -0.764 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.632 4.813 0.346 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.583 4.516 -1.408 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.810 7.265 -2.179 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.338 5.732 -2.913 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.526 6.797 -2.124 1.00 0.00 H new ATOM 230 N ASN A 73 -8.910 3.141 -1.581 1.00 0.00 N ATOM 231 CA ASN A 73 -9.864 2.088 -1.619 1.00 0.00 C ATOM 232 C ASN A 73 -9.302 0.926 -2.350 1.00 0.00 C ATOM 233 O ASN A 73 -10.064 0.123 -2.886 1.00 0.00 O ATOM 234 CB ASN A 73 -11.216 2.511 -2.243 1.00 0.00 C ATOM 235 CG ASN A 73 -11.073 2.890 -3.722 1.00 0.00 C ATOM 236 OD1 ASN A 73 -10.341 3.810 -4.102 1.00 0.00 O ATOM 237 ND2 ASN A 73 -11.839 2.145 -4.578 1.00 0.00 N ATOM 0 H ASN A 73 -8.582 3.444 -2.498 1.00 0.00 H new ATOM 0 HA ASN A 73 -10.074 1.814 -0.585 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -11.931 1.694 -2.146 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -11.622 3.358 -1.689 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -11.821 2.340 -5.579 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -12.427 1.395 -4.215 1.00 0.00 H new ATOM 244 N TYR A 74 -7.948 0.832 -2.378 1.00 0.00 N ATOM 245 CA TYR A 74 -7.187 -0.210 -3.030 1.00 0.00 C ATOM 246 C TYR A 74 -7.027 0.139 -4.488 1.00 0.00 C ATOM 247 O TYR A 74 -6.037 -0.255 -5.096 1.00 0.00 O ATOM 248 CB TYR A 74 -7.666 -1.673 -2.737 1.00 0.00 C ATOM 249 CG TYR A 74 -7.120 -2.736 -3.642 1.00 0.00 C ATOM 250 CD1 TYR A 74 -7.739 -2.968 -4.859 1.00 0.00 C ATOM 251 CD2 TYR A 74 -6.116 -3.600 -3.234 1.00 0.00 C ATOM 252 CE1 TYR A 74 -7.329 -3.999 -5.677 1.00 0.00 C ATOM 253 CE2 TYR A 74 -5.693 -4.624 -4.059 1.00 0.00 C ATOM 254 CZ TYR A 74 -6.294 -4.820 -5.283 1.00 0.00 C ATOM 255 OH TYR A 74 -5.866 -5.870 -6.119 1.00 0.00 O ATOM 0 H TYR A 74 -7.352 1.521 -1.920 1.00 0.00 H new ATOM 0 HA TYR A 74 -6.195 -0.235 -2.580 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -7.397 -1.924 -1.711 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -8.754 -1.697 -2.796 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.554 -2.332 -5.171 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -5.661 -3.472 -2.263 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -7.818 -4.163 -6.626 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -4.889 -5.273 -3.744 1.00 0.00 H new ATOM 0 HH TYR A 74 -6.018 -5.625 -7.056 1.00 0.00 H new ATOM 265 N SER A 75 -7.983 0.888 -5.082 1.00 0.00 N ATOM 266 CA SER A 75 -7.985 1.200 -6.487 1.00 0.00 C ATOM 267 C SER A 75 -7.112 2.379 -6.773 1.00 0.00 C ATOM 268 O SER A 75 -6.392 2.408 -7.768 1.00 0.00 O ATOM 269 CB SER A 75 -9.390 1.528 -7.018 1.00 0.00 C ATOM 270 OG SER A 75 -9.348 1.753 -8.418 1.00 0.00 O ATOM 0 H SER A 75 -8.773 1.286 -4.574 1.00 0.00 H new ATOM 0 HA SER A 75 -7.611 0.306 -6.987 1.00 0.00 H new ATOM 0 HB2 SER A 75 -10.071 0.707 -6.795 1.00 0.00 H new ATOM 0 HB3 SER A 75 -9.780 2.411 -6.513 1.00 0.00 H new ATOM 0 HG SER A 75 -10.249 1.959 -8.743 1.00 0.00 H new ATOM 276 N THR A 76 -7.178 3.408 -5.908 1.00 0.00 N ATOM 277 CA THR A 76 -6.426 4.612 -6.113 1.00 0.00 C ATOM 278 C THR A 76 -5.070 4.399 -5.516 1.00 0.00 C ATOM 279 O THR A 76 -4.085 5.040 -5.890 1.00 0.00 O ATOM 280 CB THR A 76 -7.098 5.788 -5.466 1.00 0.00 C ATOM 281 OG1 THR A 76 -7.649 5.397 -4.219 1.00 0.00 O ATOM 282 CG2 THR A 76 -8.225 6.290 -6.383 1.00 0.00 C ATOM 0 H THR A 76 -7.752 3.408 -5.065 1.00 0.00 H new ATOM 0 HA THR A 76 -6.354 4.829 -7.179 1.00 0.00 H new ATOM 0 HB THR A 76 -6.368 6.581 -5.305 1.00 0.00 H new ATOM 0 HG1 THR A 76 -8.553 5.043 -4.357 1.00 0.00 H new ATOM 0 HG21 THR A 76 -8.718 7.145 -5.919 1.00 0.00 H new ATOM 0 HG22 THR A 76 -7.806 6.590 -7.344 1.00 0.00 H new ATOM 0 HG23 THR A 76 -8.951 5.492 -6.537 1.00 0.00 H new ATOM 290 N PHE A 77 -4.999 3.427 -4.591 1.00 0.00 N ATOM 291 CA PHE A 77 -3.764 2.960 -4.046 1.00 0.00 C ATOM 292 C PHE A 77 -3.007 2.324 -5.153 1.00 0.00 C ATOM 293 O PHE A 77 -1.807 2.537 -5.290 1.00 0.00 O ATOM 294 CB PHE A 77 -4.025 1.849 -3.027 1.00 0.00 C ATOM 295 CG PHE A 77 -2.787 1.379 -2.340 1.00 0.00 C ATOM 296 CD1 PHE A 77 -1.825 2.235 -1.827 1.00 0.00 C ATOM 297 CD2 PHE A 77 -2.636 0.017 -2.171 1.00 0.00 C ATOM 298 CE1 PHE A 77 -0.746 1.733 -1.127 1.00 0.00 C ATOM 299 CE2 PHE A 77 -1.563 -0.482 -1.466 1.00 0.00 C ATOM 300 CZ PHE A 77 -0.618 0.374 -0.937 1.00 0.00 C ATOM 0 H PHE A 77 -5.820 2.954 -4.213 1.00 0.00 H new ATOM 0 HA PHE A 77 -3.236 3.793 -3.582 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -4.733 2.209 -2.280 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -4.495 1.005 -3.532 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.920 3.300 -1.976 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.363 -0.661 -2.594 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -0.002 2.406 -0.728 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.461 -1.548 -1.326 1.00 0.00 H new ATOM 0 HZ PHE A 77 0.218 -0.019 -0.377 1.00 0.00 H new ATOM 310 N ILE A 78 -3.744 1.536 -5.964 1.00 0.00 N ATOM 311 CA ILE A 78 -3.230 0.747 -7.051 1.00 0.00 C ATOM 312 C ILE A 78 -2.455 1.632 -7.991 1.00 0.00 C ATOM 313 O ILE A 78 -1.398 1.241 -8.483 1.00 0.00 O ATOM 314 CB ILE A 78 -4.324 -0.035 -7.771 1.00 0.00 C ATOM 315 CG1 ILE A 78 -4.060 -1.527 -7.514 1.00 0.00 C ATOM 316 CG2 ILE A 78 -4.450 0.269 -9.280 1.00 0.00 C ATOM 317 CD1 ILE A 78 -5.213 -2.444 -7.915 1.00 0.00 C ATOM 0 H ILE A 78 -4.754 1.444 -5.856 1.00 0.00 H new ATOM 0 HA ILE A 78 -2.555 -0.004 -6.641 1.00 0.00 H new ATOM 0 HB ILE A 78 -5.288 0.277 -7.368 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -3.166 -1.826 -8.061 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -3.848 -1.670 -6.454 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.253 -0.333 -9.707 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -4.675 1.326 -9.421 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.511 0.028 -9.779 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -4.946 -3.479 -7.701 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -6.105 -2.175 -7.350 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -5.412 -2.333 -8.981 1.00 0.00 H new ATOM 329 N ASN A 79 -2.970 2.859 -8.243 1.00 0.00 N ATOM 330 CA ASN A 79 -2.403 3.706 -9.258 1.00 0.00 C ATOM 331 C ASN A 79 -1.192 4.395 -8.761 1.00 0.00 C ATOM 332 O ASN A 79 -0.163 4.436 -9.429 1.00 0.00 O ATOM 333 CB ASN A 79 -3.366 4.762 -9.863 1.00 0.00 C ATOM 334 CG ASN A 79 -3.677 6.067 -9.105 1.00 0.00 C ATOM 335 OD1 ASN A 79 -4.658 6.163 -8.363 1.00 0.00 O ATOM 336 ND2 ASN A 79 -2.854 7.123 -9.395 1.00 0.00 N ATOM 0 H ASN A 79 -3.768 3.259 -7.750 1.00 0.00 H new ATOM 0 HA ASN A 79 -2.160 3.015 -10.066 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -2.963 5.044 -10.836 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -4.317 4.262 -10.045 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -3.040 8.041 -8.991 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -2.055 6.991 -10.015 1.00 0.00 H new ATOM 343 N GLY A 80 -1.340 4.980 -7.570 1.00 0.00 N ATOM 344 CA GLY A 80 -0.346 5.863 -7.011 1.00 0.00 C ATOM 345 C GLY A 80 0.898 5.143 -6.582 1.00 0.00 C ATOM 346 O GLY A 80 1.953 5.762 -6.454 1.00 0.00 O ATOM 0 H GLY A 80 -2.158 4.847 -6.975 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -0.085 6.622 -7.749 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -0.772 6.385 -6.154 1.00 0.00 H new ATOM 350 N LEU A 81 0.797 3.824 -6.332 1.00 0.00 N ATOM 351 CA LEU A 81 1.950 2.989 -6.105 1.00 0.00 C ATOM 352 C LEU A 81 2.822 2.977 -7.302 1.00 0.00 C ATOM 353 O LEU A 81 4.030 3.102 -7.172 1.00 0.00 O ATOM 354 CB LEU A 81 1.607 1.516 -5.939 1.00 0.00 C ATOM 355 CG LEU A 81 1.017 1.132 -4.577 1.00 0.00 C ATOM 356 CD1 LEU A 81 0.222 -0.164 -4.716 1.00 0.00 C ATOM 357 CD2 LEU A 81 2.131 0.958 -3.526 1.00 0.00 C ATOM 0 H LEU A 81 -0.092 3.326 -6.286 1.00 0.00 H new ATOM 0 HA LEU A 81 2.407 3.405 -5.207 1.00 0.00 H new ATOM 0 HB2 LEU A 81 0.897 1.235 -6.717 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.510 0.928 -6.104 1.00 0.00 H new ATOM 0 HG LEU A 81 0.357 1.932 -4.242 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.198 -0.439 -3.748 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.585 -0.021 -5.435 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.881 -0.959 -5.064 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.688 0.686 -2.568 1.00 0.00 H new ATOM 0 HD22 LEU A 81 2.814 0.171 -3.847 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.680 1.894 -3.419 1.00 0.00 H new ATOM 369 N LYS A 82 2.221 2.792 -8.494 1.00 0.00 N ATOM 370 CA LYS A 82 2.927 2.637 -9.732 1.00 0.00 C ATOM 371 C LYS A 82 3.497 3.958 -10.134 1.00 0.00 C ATOM 372 O LYS A 82 4.499 4.029 -10.844 1.00 0.00 O ATOM 373 CB LYS A 82 1.968 2.169 -10.841 1.00 0.00 C ATOM 374 CG LYS A 82 2.662 1.637 -12.101 1.00 0.00 C ATOM 375 CD LYS A 82 1.655 1.125 -13.141 1.00 0.00 C ATOM 376 CE LYS A 82 2.314 0.611 -14.425 1.00 0.00 C ATOM 377 NZ LYS A 82 3.176 -0.556 -14.139 1.00 0.00 N ATOM 0 H LYS A 82 1.207 2.749 -8.600 1.00 0.00 H new ATOM 0 HA LYS A 82 3.716 1.897 -9.596 1.00 0.00 H new ATOM 0 HB2 LYS A 82 1.323 1.387 -10.440 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.323 3.002 -11.121 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.268 2.428 -12.542 1.00 0.00 H new ATOM 0 HG3 LYS A 82 3.342 0.830 -11.827 1.00 0.00 H new ATOM 0 HD2 LYS A 82 1.064 0.323 -12.699 1.00 0.00 H new ATOM 0 HD3 LYS A 82 0.964 1.929 -13.393 1.00 0.00 H new ATOM 0 HE2 LYS A 82 1.547 0.334 -15.148 1.00 0.00 H new ATOM 0 HE3 LYS A 82 2.907 1.405 -14.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 3.505 -0.972 -15.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 3.996 -0.252 -13.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 2.634 -1.266 -13.606 1.00 0.00 H new ATOM 391 N LYS A 83 2.857 5.040 -9.655 1.00 0.00 N ATOM 392 CA LYS A 83 3.259 6.382 -9.931 1.00 0.00 C ATOM 393 C LYS A 83 4.539 6.646 -9.195 1.00 0.00 C ATOM 394 O LYS A 83 5.414 7.351 -9.696 1.00 0.00 O ATOM 395 CB LYS A 83 2.160 7.370 -9.504 1.00 0.00 C ATOM 396 CG LYS A 83 2.332 8.778 -10.083 1.00 0.00 C ATOM 397 CD LYS A 83 1.045 9.604 -9.957 1.00 0.00 C ATOM 398 CE LYS A 83 1.210 11.042 -10.456 1.00 0.00 C ATOM 399 NZ LYS A 83 -0.025 11.814 -10.202 1.00 0.00 N ATOM 0 H LYS A 83 2.033 4.977 -9.057 1.00 0.00 H new ATOM 0 HA LYS A 83 3.418 6.517 -11.001 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.191 6.977 -9.813 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.146 7.434 -8.416 1.00 0.00 H new ATOM 0 HG2 LYS A 83 3.144 9.288 -9.565 1.00 0.00 H new ATOM 0 HG3 LYS A 83 2.618 8.708 -11.132 1.00 0.00 H new ATOM 0 HD2 LYS A 83 0.250 9.117 -10.522 1.00 0.00 H new ATOM 0 HD3 LYS A 83 0.730 9.620 -8.914 1.00 0.00 H new ATOM 0 HE2 LYS A 83 2.053 11.515 -9.953 1.00 0.00 H new ATOM 0 HE3 LYS A 83 1.435 11.041 -11.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 0.098 12.788 -10.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -0.821 11.369 -10.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -0.222 11.828 -9.181 1.00 0.00 H new ATOM 413 N ALA A 84 4.686 6.042 -7.995 1.00 0.00 N ATOM 414 CA ALA A 84 5.918 6.089 -7.255 1.00 0.00 C ATOM 415 C ALA A 84 6.930 5.205 -7.920 1.00 0.00 C ATOM 416 O ALA A 84 8.063 5.627 -8.145 1.00 0.00 O ATOM 417 CB ALA A 84 5.762 5.658 -5.788 1.00 0.00 C ATOM 0 H ALA A 84 3.944 5.516 -7.534 1.00 0.00 H new ATOM 0 HA ALA A 84 6.244 7.129 -7.251 1.00 0.00 H new ATOM 0 HB1 ALA A 84 6.728 5.716 -5.287 1.00 0.00 H new ATOM 0 HB2 ALA A 84 5.053 6.318 -5.288 1.00 0.00 H new ATOM 0 HB3 ALA A 84 5.394 4.633 -5.747 1.00 0.00 H new ATOM 423 N GLY A 85 6.530 3.961 -8.260 1.00 0.00 N ATOM 424 CA GLY A 85 7.367 3.017 -8.946 1.00 0.00 C ATOM 425 C GLY A 85 7.577 1.857 -8.037 1.00 0.00 C ATOM 426 O GLY A 85 8.628 1.219 -8.056 1.00 0.00 O ATOM 0 H GLY A 85 5.598 3.602 -8.052 1.00 0.00 H new ATOM 0 HA2 GLY A 85 6.898 2.695 -9.876 1.00 0.00 H new ATOM 0 HA3 GLY A 85 8.321 3.473 -9.211 1.00 0.00 H new ATOM 430 N ILE A 86 6.557 1.576 -7.209 1.00 0.00 N ATOM 431 CA ILE A 86 6.586 0.570 -6.208 1.00 0.00 C ATOM 432 C ILE A 86 5.842 -0.573 -6.830 1.00 0.00 C ATOM 433 O ILE A 86 6.449 -1.615 -7.074 1.00 0.00 O ATOM 434 CB ILE A 86 5.947 1.102 -4.935 1.00 0.00 C ATOM 435 CG1 ILE A 86 6.798 2.280 -4.403 1.00 0.00 C ATOM 436 CG2 ILE A 86 5.798 -0.019 -3.897 1.00 0.00 C ATOM 437 CD1 ILE A 86 6.166 2.992 -3.206 1.00 0.00 C ATOM 0 H ILE A 86 5.670 2.078 -7.244 1.00 0.00 H new ATOM 0 HA ILE A 86 7.585 0.254 -5.906 1.00 0.00 H new ATOM 0 HB ILE A 86 4.942 1.469 -5.145 1.00 0.00 H new ATOM 0 HG12 ILE A 86 7.782 1.908 -4.117 1.00 0.00 H new ATOM 0 HG13 ILE A 86 6.950 3.001 -5.206 1.00 0.00 H new ATOM 0 HG21 ILE A 86 5.339 0.381 -2.993 1.00 0.00 H new ATOM 0 HG22 ILE A 86 5.169 -0.810 -4.304 1.00 0.00 H new ATOM 0 HG23 ILE A 86 6.781 -0.425 -3.656 1.00 0.00 H new ATOM 0 HD11 ILE A 86 6.814 3.807 -2.884 1.00 0.00 H new ATOM 0 HD12 ILE A 86 5.194 3.393 -3.493 1.00 0.00 H new ATOM 0 HD13 ILE A 86 6.039 2.284 -2.387 1.00 0.00 H new ATOM 449 N GLU A 87 4.534 -0.351 -7.131 1.00 0.00 N ATOM 450 CA GLU A 87 3.555 -1.292 -7.642 1.00 0.00 C ATOM 451 C GLU A 87 3.813 -2.672 -7.141 1.00 0.00 C ATOM 452 O GLU A 87 4.299 -3.544 -7.861 1.00 0.00 O ATOM 453 CB GLU A 87 3.385 -1.281 -9.178 1.00 0.00 C ATOM 454 CG GLU A 87 2.172 -2.066 -9.722 1.00 0.00 C ATOM 455 CD GLU A 87 0.855 -1.335 -9.459 1.00 0.00 C ATOM 456 OE1 GLU A 87 0.479 -1.153 -8.273 1.00 0.00 O ATOM 457 OE2 GLU A 87 0.191 -0.965 -10.465 1.00 0.00 O ATOM 0 H GLU A 87 4.124 0.575 -7.004 1.00 0.00 H new ATOM 0 HA GLU A 87 2.601 -0.943 -7.247 1.00 0.00 H new ATOM 0 HB2 GLU A 87 3.303 -0.246 -9.509 1.00 0.00 H new ATOM 0 HB3 GLU A 87 4.290 -1.689 -9.628 1.00 0.00 H new ATOM 0 HG2 GLU A 87 2.292 -2.223 -10.794 1.00 0.00 H new ATOM 0 HG3 GLU A 87 2.139 -3.051 -9.257 1.00 0.00 H new ATOM 464 N LEU A 88 3.536 -2.851 -5.841 1.00 0.00 N ATOM 465 CA LEU A 88 4.065 -3.956 -5.112 1.00 0.00 C ATOM 466 C LEU A 88 2.907 -4.678 -4.497 1.00 0.00 C ATOM 467 O LEU A 88 3.037 -5.820 -4.059 1.00 0.00 O ATOM 468 CB LEU A 88 5.057 -3.400 -4.077 1.00 0.00 C ATOM 469 CG LEU A 88 5.919 -4.434 -3.326 1.00 0.00 C ATOM 470 CD1 LEU A 88 6.884 -5.187 -4.260 1.00 0.00 C ATOM 471 CD2 LEU A 88 6.688 -3.762 -2.173 1.00 0.00 C ATOM 0 H LEU A 88 2.943 -2.228 -5.293 1.00 0.00 H new ATOM 0 HA LEU A 88 4.608 -4.667 -5.734 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.724 -2.703 -4.584 1.00 0.00 H new ATOM 0 HB3 LEU A 88 4.495 -2.825 -3.341 1.00 0.00 H new ATOM 0 HG LEU A 88 5.238 -5.177 -2.911 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.467 -5.903 -3.680 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.313 -5.717 -5.022 1.00 0.00 H new ATOM 0 HD13 LEU A 88 7.556 -4.475 -4.739 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.291 -4.508 -1.655 1.00 0.00 H new ATOM 0 HD22 LEU A 88 7.338 -2.984 -2.574 1.00 0.00 H new ATOM 0 HD23 LEU A 88 5.980 -3.318 -1.474 1.00 0.00 H new ATOM 483 N ASP A 89 1.720 -4.029 -4.495 1.00 0.00 N ATOM 484 CA ASP A 89 0.505 -4.627 -4.002 1.00 0.00 C ATOM 485 C ASP A 89 0.013 -5.630 -4.970 1.00 0.00 C ATOM 486 O ASP A 89 0.615 -5.886 -6.013 1.00 0.00 O ATOM 487 CB ASP A 89 -0.678 -3.639 -3.841 1.00 0.00 C ATOM 488 CG ASP A 89 -1.325 -3.255 -5.174 1.00 0.00 C ATOM 489 OD1 ASP A 89 -0.610 -2.799 -6.104 1.00 0.00 O ATOM 490 OD2 ASP A 89 -2.568 -3.440 -5.270 1.00 0.00 O ATOM 0 H ASP A 89 1.601 -3.077 -4.840 1.00 0.00 H new ATOM 0 HA ASP A 89 0.781 -5.034 -3.029 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -1.432 -4.087 -3.194 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -0.325 -2.737 -3.342 1.00 0.00 H new ATOM 495 N ARG A 90 -1.137 -6.202 -4.561 1.00 0.00 N ATOM 496 CA ARG A 90 -2.000 -7.093 -5.260 1.00 0.00 C ATOM 497 C ARG A 90 -1.656 -8.419 -4.689 1.00 0.00 C ATOM 498 O ARG A 90 -2.476 -9.334 -4.682 1.00 0.00 O ATOM 499 CB ARG A 90 -1.939 -7.094 -6.806 1.00 0.00 C ATOM 500 CG ARG A 90 -3.061 -7.906 -7.471 1.00 0.00 C ATOM 501 CD ARG A 90 -3.119 -7.731 -8.991 1.00 0.00 C ATOM 502 NE ARG A 90 -1.837 -8.231 -9.566 1.00 0.00 N ATOM 503 CZ ARG A 90 -1.655 -8.286 -10.920 1.00 0.00 C ATOM 504 NH1 ARG A 90 -2.642 -7.873 -11.766 1.00 0.00 N ATOM 505 NH2 ARG A 90 -0.478 -8.759 -11.426 1.00 0.00 N ATOM 0 H ARG A 90 -1.497 -6.010 -3.626 1.00 0.00 H new ATOM 0 HA ARG A 90 -3.033 -6.777 -5.115 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -1.988 -6.065 -7.163 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -0.976 -7.496 -7.122 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -2.922 -8.962 -7.239 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -4.018 -7.609 -7.042 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -3.963 -8.283 -9.405 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -3.267 -6.682 -9.248 1.00 0.00 H new ATOM 0 HE ARG A 90 -1.089 -8.535 -8.943 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -3.522 -7.521 -11.390 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -2.500 -7.917 -12.775 1.00 0.00 H new ATOM 0 HH21 ARG A 90 0.261 -9.069 -10.795 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -0.337 -8.802 -12.435 1.00 0.00 H new ATOM 519 N LYS A 91 -0.420 -8.511 -4.155 1.00 0.00 N ATOM 520 CA LYS A 91 0.105 -9.641 -3.497 1.00 0.00 C ATOM 521 C LYS A 91 1.429 -9.155 -3.026 1.00 0.00 C ATOM 522 O LYS A 91 2.294 -8.789 -3.821 1.00 0.00 O ATOM 523 CB LYS A 91 0.334 -10.881 -4.396 1.00 0.00 C ATOM 524 CG LYS A 91 -0.218 -12.198 -3.822 1.00 0.00 C ATOM 525 CD LYS A 91 -1.751 -12.286 -3.869 1.00 0.00 C ATOM 526 CE LYS A 91 -2.333 -13.557 -3.248 1.00 0.00 C ATOM 527 NZ LYS A 91 -1.842 -14.753 -3.963 1.00 0.00 N ATOM 0 H LYS A 91 0.244 -7.737 -4.194 1.00 0.00 H new ATOM 0 HA LYS A 91 -0.592 -9.984 -2.732 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -0.129 -10.701 -5.366 1.00 0.00 H new ATOM 0 HB3 LYS A 91 1.404 -10.995 -4.569 1.00 0.00 H new ATOM 0 HG2 LYS A 91 0.204 -13.034 -4.379 1.00 0.00 H new ATOM 0 HG3 LYS A 91 0.114 -12.303 -2.789 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -2.168 -11.421 -3.353 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -2.074 -12.224 -4.908 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -2.055 -13.615 -2.196 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -3.422 -13.523 -3.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -2.336 -15.597 -3.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -2.024 -14.648 -4.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -0.820 -14.858 -3.803 1.00 0.00 H new ATOM 541 N ILE A 92 1.586 -9.175 -1.688 1.00 0.00 N ATOM 542 CA ILE A 92 2.825 -9.213 -0.983 1.00 0.00 C ATOM 543 C ILE A 92 3.412 -7.842 -0.976 1.00 0.00 C ATOM 544 O ILE A 92 4.275 -7.467 -1.769 1.00 0.00 O ATOM 545 CB ILE A 92 3.735 -10.313 -1.462 1.00 0.00 C ATOM 546 CG1 ILE A 92 2.941 -11.643 -1.586 1.00 0.00 C ATOM 547 CG2 ILE A 92 4.991 -10.383 -0.570 1.00 0.00 C ATOM 548 CD1 ILE A 92 3.602 -12.879 -0.972 1.00 0.00 C ATOM 0 H ILE A 92 0.785 -9.164 -1.057 1.00 0.00 H new ATOM 0 HA ILE A 92 2.659 -9.491 0.058 1.00 0.00 H new ATOM 0 HB ILE A 92 4.105 -10.103 -2.466 1.00 0.00 H new ATOM 0 HG12 ILE A 92 1.966 -11.506 -1.117 1.00 0.00 H new ATOM 0 HG13 ILE A 92 2.762 -11.839 -2.643 1.00 0.00 H new ATOM 0 HG21 ILE A 92 5.644 -11.181 -0.923 1.00 0.00 H new ATOM 0 HG22 ILE A 92 5.523 -9.433 -0.615 1.00 0.00 H new ATOM 0 HG23 ILE A 92 4.695 -10.585 0.460 1.00 0.00 H new ATOM 0 HD11 ILE A 92 2.958 -13.746 -1.118 1.00 0.00 H new ATOM 0 HD12 ILE A 92 4.563 -13.055 -1.454 1.00 0.00 H new ATOM 0 HD13 ILE A 92 3.756 -12.717 0.095 1.00 0.00 H new ATOM 560 N LEU A 93 2.874 -7.082 -0.012 1.00 0.00 N ATOM 561 CA LEU A 93 3.155 -5.721 0.308 1.00 0.00 C ATOM 562 C LEU A 93 2.163 -5.538 1.361 1.00 0.00 C ATOM 563 O LEU A 93 2.358 -4.848 2.353 1.00 0.00 O ATOM 564 CB LEU A 93 2.706 -4.802 -0.782 1.00 0.00 C ATOM 565 CG LEU A 93 2.102 -3.423 -0.408 1.00 0.00 C ATOM 566 CD1 LEU A 93 2.675 -2.330 -1.318 1.00 0.00 C ATOM 567 CD2 LEU A 93 0.562 -3.382 -0.388 1.00 0.00 C ATOM 0 H LEU A 93 2.164 -7.466 0.611 1.00 0.00 H new ATOM 0 HA LEU A 93 4.208 -5.530 0.515 1.00 0.00 H new ATOM 0 HB2 LEU A 93 3.562 -4.620 -1.431 1.00 0.00 H new ATOM 0 HB3 LEU A 93 1.964 -5.335 -1.376 1.00 0.00 H new ATOM 0 HG LEU A 93 2.399 -3.235 0.624 1.00 0.00 H new ATOM 0 HD11 LEU A 93 2.244 -1.367 -1.046 1.00 0.00 H new ATOM 0 HD12 LEU A 93 3.758 -2.289 -1.200 1.00 0.00 H new ATOM 0 HD13 LEU A 93 2.432 -2.556 -2.356 1.00 0.00 H new ATOM 0 HD21 LEU A 93 0.228 -2.380 -0.117 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.178 -3.637 -1.376 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.188 -4.099 0.343 1.00 0.00 H new ATOM 579 N ALA A 94 1.041 -6.212 1.089 1.00 0.00 N ATOM 580 CA ALA A 94 0.013 -6.564 1.999 1.00 0.00 C ATOM 581 C ALA A 94 0.584 -7.256 3.173 1.00 0.00 C ATOM 582 O ALA A 94 0.043 -7.150 4.269 1.00 0.00 O ATOM 583 CB ALA A 94 -0.811 -7.651 1.352 1.00 0.00 C ATOM 0 H ALA A 94 0.839 -6.539 0.144 1.00 0.00 H new ATOM 0 HA ALA A 94 -0.532 -5.658 2.265 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -1.615 -7.948 2.026 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -1.237 -7.279 0.421 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -0.177 -8.512 1.142 1.00 0.00 H new ATOM 589 N ASP A 95 1.689 -7.999 2.951 1.00 0.00 N ATOM 590 CA ASP A 95 2.402 -8.613 4.001 1.00 0.00 C ATOM 591 C ASP A 95 2.875 -7.523 4.860 1.00 0.00 C ATOM 592 O ASP A 95 2.566 -7.480 6.040 1.00 0.00 O ATOM 593 CB ASP A 95 3.575 -9.493 3.512 1.00 0.00 C ATOM 594 CG ASP A 95 4.848 -8.831 2.970 1.00 0.00 C ATOM 595 OD1 ASP A 95 4.795 -8.174 1.903 1.00 0.00 O ATOM 596 OD2 ASP A 95 5.905 -8.995 3.638 1.00 0.00 O ATOM 0 H ASP A 95 2.081 -8.167 2.025 1.00 0.00 H new ATOM 0 HA ASP A 95 1.751 -9.302 4.538 1.00 0.00 H new ATOM 0 HB2 ASP A 95 3.870 -10.134 4.343 1.00 0.00 H new ATOM 0 HB3 ASP A 95 3.188 -10.145 2.729 1.00 0.00 H new ATOM 601 N MET A 96 3.594 -6.579 4.258 1.00 0.00 N ATOM 602 CA MET A 96 4.253 -5.565 5.021 1.00 0.00 C ATOM 603 C MET A 96 3.225 -4.656 5.656 1.00 0.00 C ATOM 604 O MET A 96 3.497 -4.028 6.667 1.00 0.00 O ATOM 605 CB MET A 96 5.292 -4.831 4.151 1.00 0.00 C ATOM 606 CG MET A 96 5.314 -3.309 4.172 1.00 0.00 C ATOM 607 SD MET A 96 6.403 -2.656 2.878 1.00 0.00 S ATOM 608 CE MET A 96 5.011 -2.334 1.776 1.00 0.00 C ATOM 0 H MET A 96 3.725 -6.509 3.249 1.00 0.00 H new ATOM 0 HA MET A 96 4.817 -6.010 5.841 1.00 0.00 H new ATOM 0 HB2 MET A 96 6.280 -5.181 4.450 1.00 0.00 H new ATOM 0 HB3 MET A 96 5.141 -5.146 3.118 1.00 0.00 H new ATOM 0 HG2 MET A 96 4.304 -2.925 4.030 1.00 0.00 H new ATOM 0 HG3 MET A 96 5.653 -2.960 5.147 1.00 0.00 H new ATOM 0 HE1 MET A 96 5.357 -2.338 0.742 1.00 0.00 H new ATOM 0 HE2 MET A 96 4.255 -3.108 1.909 1.00 0.00 H new ATOM 0 HE3 MET A 96 4.579 -1.361 2.010 1.00 0.00 H new ATOM 618 N ALA A 97 1.986 -4.604 5.129 1.00 0.00 N ATOM 619 CA ALA A 97 0.933 -3.819 5.704 1.00 0.00 C ATOM 620 C ALA A 97 0.609 -4.288 7.083 1.00 0.00 C ATOM 621 O ALA A 97 0.343 -3.473 7.965 1.00 0.00 O ATOM 622 CB ALA A 97 -0.363 -3.870 4.886 1.00 0.00 C ATOM 0 H ALA A 97 1.710 -5.115 4.290 1.00 0.00 H new ATOM 0 HA ALA A 97 1.308 -2.796 5.716 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -1.123 -3.257 5.370 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -0.175 -3.489 3.882 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -0.713 -4.900 4.823 1.00 0.00 H new ATOM 628 N VAL A 98 0.643 -5.617 7.298 1.00 0.00 N ATOM 629 CA VAL A 98 0.311 -6.175 8.570 1.00 0.00 C ATOM 630 C VAL A 98 1.578 -6.278 9.368 1.00 0.00 C ATOM 631 O VAL A 98 1.704 -5.646 10.415 1.00 0.00 O ATOM 632 CB VAL A 98 -0.322 -7.546 8.482 1.00 0.00 C ATOM 633 CG1 VAL A 98 -0.921 -7.895 9.857 1.00 0.00 C ATOM 634 CG2 VAL A 98 -1.375 -7.580 7.359 1.00 0.00 C ATOM 0 H VAL A 98 0.901 -6.304 6.589 1.00 0.00 H new ATOM 0 HA VAL A 98 -0.426 -5.521 9.037 1.00 0.00 H new ATOM 0 HB VAL A 98 0.426 -8.297 8.229 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -1.383 -8.881 9.813 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -0.131 -7.897 10.608 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -1.674 -7.154 10.125 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -1.821 -8.573 7.309 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.151 -6.843 7.566 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -0.899 -7.347 6.407 1.00 0.00 H new ATOM 644 N ARG A 99 2.534 -7.107 8.891 1.00 0.00 N ATOM 645 CA ARG A 99 3.620 -7.566 9.691 1.00 0.00 C ATOM 646 C ARG A 99 4.775 -6.599 9.785 1.00 0.00 C ATOM 647 O ARG A 99 5.510 -6.645 10.770 1.00 0.00 O ATOM 648 CB ARG A 99 4.143 -8.967 9.288 1.00 0.00 C ATOM 649 CG ARG A 99 4.096 -9.455 7.820 1.00 0.00 C ATOM 650 CD ARG A 99 2.811 -10.160 7.303 1.00 0.00 C ATOM 651 NE ARG A 99 2.579 -11.449 8.038 1.00 0.00 N ATOM 652 CZ ARG A 99 1.558 -11.629 8.929 1.00 0.00 C ATOM 653 NH1 ARG A 99 0.763 -10.590 9.303 1.00 0.00 N ATOM 654 NH2 ARG A 99 1.323 -12.867 9.461 1.00 0.00 N ATOM 0 H ARG A 99 2.546 -7.460 7.934 1.00 0.00 H new ATOM 0 HA ARG A 99 3.175 -7.642 10.683 1.00 0.00 H new ATOM 0 HB2 ARG A 99 5.184 -9.021 9.607 1.00 0.00 H new ATOM 0 HB3 ARG A 99 3.590 -9.695 9.882 1.00 0.00 H new ATOM 0 HG2 ARG A 99 4.278 -8.592 7.180 1.00 0.00 H new ATOM 0 HG3 ARG A 99 4.930 -10.142 7.674 1.00 0.00 H new ATOM 0 HD2 ARG A 99 1.952 -9.502 7.433 1.00 0.00 H new ATOM 0 HD3 ARG A 99 2.903 -10.356 6.235 1.00 0.00 H new ATOM 0 HE ARG A 99 3.214 -12.228 7.864 1.00 0.00 H new ATOM 0 HH11 ARG A 99 0.925 -9.660 8.917 1.00 0.00 H new ATOM 0 HH12 ARG A 99 0.005 -10.742 9.969 1.00 0.00 H new ATOM 0 HH21 ARG A 99 1.910 -13.657 9.193 1.00 0.00 H new ATOM 0 HH22 ARG A 99 0.561 -13.000 10.126 1.00 0.00 H new ATOM 668 N ASP A 100 4.956 -5.696 8.794 1.00 0.00 N ATOM 669 CA ASP A 100 5.992 -4.684 8.822 1.00 0.00 C ATOM 670 C ASP A 100 5.441 -3.283 8.682 1.00 0.00 C ATOM 671 O ASP A 100 5.636 -2.670 7.639 1.00 0.00 O ATOM 672 CB ASP A 100 6.971 -4.872 7.648 1.00 0.00 C ATOM 673 CG ASP A 100 8.318 -4.201 7.910 1.00 0.00 C ATOM 674 OD1 ASP A 100 8.483 -3.544 8.971 1.00 0.00 O ATOM 675 OD2 ASP A 100 9.211 -4.348 7.032 1.00 0.00 O ATOM 0 H ASP A 100 4.375 -5.664 7.956 1.00 0.00 H new ATOM 0 HA ASP A 100 6.483 -4.801 9.788 1.00 0.00 H new ATOM 0 HB2 ASP A 100 7.125 -5.937 7.472 1.00 0.00 H new ATOM 0 HB3 ASP A 100 6.531 -4.459 6.740 1.00 0.00 H new ATOM 680 N PRO A 101 4.772 -2.704 9.643 1.00 0.00 N ATOM 681 CA PRO A 101 4.061 -1.461 9.473 1.00 0.00 C ATOM 682 C PRO A 101 5.023 -0.305 9.438 1.00 0.00 C ATOM 683 O PRO A 101 4.587 0.808 9.149 1.00 0.00 O ATOM 684 CB PRO A 101 3.134 -1.374 10.690 1.00 0.00 C ATOM 685 CG PRO A 101 3.758 -2.311 11.731 1.00 0.00 C ATOM 686 CD PRO A 101 4.467 -3.361 10.884 1.00 0.00 C ATOM 0 HA PRO A 101 3.505 -1.422 8.536 1.00 0.00 H new ATOM 0 HB2 PRO A 101 3.071 -0.353 11.066 1.00 0.00 H new ATOM 0 HB3 PRO A 101 2.120 -1.684 10.437 1.00 0.00 H new ATOM 0 HG2 PRO A 101 4.455 -1.782 12.381 1.00 0.00 H new ATOM 0 HG3 PRO A 101 3.000 -2.759 12.374 1.00 0.00 H new ATOM 0 HD2 PRO A 101 5.374 -3.716 11.375 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.831 -4.231 10.722 1.00 0.00 H new ATOM 694 N GLN A 102 6.323 -0.543 9.708 1.00 0.00 N ATOM 695 CA GLN A 102 7.342 0.452 9.576 1.00 0.00 C ATOM 696 C GLN A 102 7.523 0.723 8.118 1.00 0.00 C ATOM 697 O GLN A 102 7.579 1.880 7.704 1.00 0.00 O ATOM 698 CB GLN A 102 8.697 -0.037 10.128 1.00 0.00 C ATOM 699 CG GLN A 102 9.834 0.986 10.001 1.00 0.00 C ATOM 700 CD GLN A 102 11.105 0.356 10.570 1.00 0.00 C ATOM 701 OE1 GLN A 102 11.557 0.711 11.665 1.00 0.00 O ATOM 702 NE2 GLN A 102 11.687 -0.601 9.786 1.00 0.00 N ATOM 0 H GLN A 102 6.671 -1.448 10.025 1.00 0.00 H new ATOM 0 HA GLN A 102 7.037 1.336 10.135 1.00 0.00 H new ATOM 0 HB2 GLN A 102 8.575 -0.299 11.179 1.00 0.00 H new ATOM 0 HB3 GLN A 102 8.983 -0.948 9.603 1.00 0.00 H new ATOM 0 HG2 GLN A 102 9.981 1.264 8.957 1.00 0.00 H new ATOM 0 HG3 GLN A 102 9.587 1.899 10.542 1.00 0.00 H new ATOM 0 HE21 GLN A 102 11.267 -0.852 8.891 1.00 0.00 H new ATOM 0 HE22 GLN A 102 12.541 -1.064 10.096 1.00 0.00 H new ATOM 711 N ALA A 103 7.620 -0.351 7.304 1.00 0.00 N ATOM 712 CA ALA A 103 7.978 -0.220 5.932 1.00 0.00 C ATOM 713 C ALA A 103 6.725 0.078 5.195 1.00 0.00 C ATOM 714 O ALA A 103 6.764 0.782 4.188 1.00 0.00 O ATOM 715 CB ALA A 103 8.610 -1.494 5.364 1.00 0.00 C ATOM 0 H ALA A 103 7.448 -1.310 7.605 1.00 0.00 H new ATOM 0 HA ALA A 103 8.723 0.569 5.827 1.00 0.00 H new ATOM 0 HB1 ALA A 103 8.863 -1.338 4.315 1.00 0.00 H new ATOM 0 HB2 ALA A 103 9.514 -1.733 5.924 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.903 -2.319 5.448 1.00 0.00 H new ATOM 721 N PHE A 104 5.580 -0.445 5.693 1.00 0.00 N ATOM 722 CA PHE A 104 4.308 -0.045 5.143 1.00 0.00 C ATOM 723 C PHE A 104 4.114 1.438 5.151 1.00 0.00 C ATOM 724 O PHE A 104 3.707 1.991 4.135 1.00 0.00 O ATOM 725 CB PHE A 104 3.093 -0.629 5.872 1.00 0.00 C ATOM 726 CG PHE A 104 1.840 -0.365 5.090 1.00 0.00 C ATOM 727 CD1 PHE A 104 1.696 -0.813 3.787 1.00 0.00 C ATOM 728 CD2 PHE A 104 0.771 0.270 5.696 1.00 0.00 C ATOM 729 CE1 PHE A 104 0.522 -0.604 3.092 1.00 0.00 C ATOM 730 CE2 PHE A 104 -0.410 0.468 5.008 1.00 0.00 C ATOM 731 CZ PHE A 104 -0.533 0.042 3.701 1.00 0.00 C ATOM 0 H PHE A 104 5.531 -1.124 6.453 1.00 0.00 H new ATOM 0 HA PHE A 104 4.356 -0.437 4.127 1.00 0.00 H new ATOM 0 HB2 PHE A 104 3.224 -1.702 6.010 1.00 0.00 H new ATOM 0 HB3 PHE A 104 3.010 -0.188 6.865 1.00 0.00 H new ATOM 0 HD1 PHE A 104 2.513 -1.333 3.309 1.00 0.00 H new ATOM 0 HD2 PHE A 104 0.861 0.614 6.716 1.00 0.00 H new ATOM 0 HE1 PHE A 104 0.430 -0.946 2.072 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -1.240 0.958 5.495 1.00 0.00 H new ATOM 0 HZ PHE A 104 -1.451 0.214 3.158 1.00 0.00 H new ATOM 741 N GLU A 105 4.396 2.125 6.279 1.00 0.00 N ATOM 742 CA GLU A 105 4.145 3.541 6.368 1.00 0.00 C ATOM 743 C GLU A 105 5.101 4.347 5.535 1.00 0.00 C ATOM 744 O GLU A 105 4.799 5.489 5.194 1.00 0.00 O ATOM 745 CB GLU A 105 4.234 4.079 7.804 1.00 0.00 C ATOM 746 CG GLU A 105 3.009 3.699 8.641 1.00 0.00 C ATOM 747 CD GLU A 105 3.205 4.242 10.048 1.00 0.00 C ATOM 748 OE1 GLU A 105 4.166 3.792 10.729 1.00 0.00 O ATOM 749 OE2 GLU A 105 2.395 5.114 10.463 1.00 0.00 O ATOM 0 H GLU A 105 4.793 1.709 7.121 1.00 0.00 H new ATOM 0 HA GLU A 105 3.127 3.654 5.995 1.00 0.00 H new ATOM 0 HB2 GLU A 105 5.133 3.689 8.281 1.00 0.00 H new ATOM 0 HB3 GLU A 105 4.332 5.164 7.778 1.00 0.00 H new ATOM 0 HG2 GLU A 105 2.103 4.112 8.197 1.00 0.00 H new ATOM 0 HG3 GLU A 105 2.887 2.616 8.665 1.00 0.00 H new ATOM 756 N GLN A 106 6.265 3.775 5.174 1.00 0.00 N ATOM 757 CA GLN A 106 7.219 4.446 4.334 1.00 0.00 C ATOM 758 C GLN A 106 6.761 4.417 2.908 1.00 0.00 C ATOM 759 O GLN A 106 6.977 5.365 2.158 1.00 0.00 O ATOM 760 CB GLN A 106 8.587 3.754 4.359 1.00 0.00 C ATOM 761 CG GLN A 106 9.382 4.088 5.626 1.00 0.00 C ATOM 762 CD GLN A 106 10.693 3.307 5.598 1.00 0.00 C ATOM 763 OE1 GLN A 106 10.759 2.150 6.031 1.00 0.00 O ATOM 764 NE2 GLN A 106 11.763 3.980 5.076 1.00 0.00 N ATOM 0 H GLN A 106 6.550 2.840 5.465 1.00 0.00 H new ATOM 0 HA GLN A 106 7.303 5.464 4.715 1.00 0.00 H new ATOM 0 HB2 GLN A 106 8.448 2.675 4.294 1.00 0.00 H new ATOM 0 HB3 GLN A 106 9.161 4.055 3.482 1.00 0.00 H new ATOM 0 HG2 GLN A 106 9.580 5.159 5.677 1.00 0.00 H new ATOM 0 HG3 GLN A 106 8.806 3.828 6.514 1.00 0.00 H new ATOM 0 HE21 GLN A 106 11.648 4.934 4.734 1.00 0.00 H new ATOM 0 HE22 GLN A 106 12.676 3.528 5.029 1.00 0.00 H new ATOM 773 N VAL A 107 6.113 3.308 2.513 1.00 0.00 N ATOM 774 CA VAL A 107 5.612 3.099 1.180 1.00 0.00 C ATOM 775 C VAL A 107 4.438 4.000 0.994 1.00 0.00 C ATOM 776 O VAL A 107 4.252 4.580 -0.070 1.00 0.00 O ATOM 777 CB VAL A 107 5.223 1.649 0.968 1.00 0.00 C ATOM 778 CG1 VAL A 107 4.209 1.459 -0.181 1.00 0.00 C ATOM 779 CG2 VAL A 107 6.539 0.898 0.711 1.00 0.00 C ATOM 0 H VAL A 107 5.928 2.525 3.140 1.00 0.00 H new ATOM 0 HA VAL A 107 6.384 3.329 0.446 1.00 0.00 H new ATOM 0 HB VAL A 107 4.705 1.258 1.844 1.00 0.00 H new ATOM 0 HG11 VAL A 107 3.970 0.401 -0.284 1.00 0.00 H new ATOM 0 HG12 VAL A 107 3.299 2.017 0.041 1.00 0.00 H new ATOM 0 HG13 VAL A 107 4.641 1.825 -1.112 1.00 0.00 H new ATOM 0 HG21 VAL A 107 6.329 -0.159 0.549 1.00 0.00 H new ATOM 0 HG22 VAL A 107 7.027 1.310 -0.172 1.00 0.00 H new ATOM 0 HG23 VAL A 107 7.196 1.010 1.574 1.00 0.00 H new ATOM 789 N VAL A 108 3.639 4.150 2.060 1.00 0.00 N ATOM 790 CA VAL A 108 2.472 4.983 2.069 1.00 0.00 C ATOM 791 C VAL A 108 2.890 6.411 1.944 1.00 0.00 C ATOM 792 O VAL A 108 2.206 7.191 1.288 1.00 0.00 O ATOM 793 CB VAL A 108 1.686 4.764 3.339 1.00 0.00 C ATOM 794 CG1 VAL A 108 0.697 5.907 3.620 1.00 0.00 C ATOM 795 CG2 VAL A 108 0.967 3.417 3.171 1.00 0.00 C ATOM 0 H VAL A 108 3.807 3.678 2.948 1.00 0.00 H new ATOM 0 HA VAL A 108 1.830 4.725 1.227 1.00 0.00 H new ATOM 0 HB VAL A 108 2.351 4.751 4.203 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.157 5.702 4.544 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.244 6.845 3.720 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.011 5.986 2.795 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.379 3.204 4.064 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.307 3.462 2.305 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.704 2.627 3.025 1.00 0.00 H new ATOM 805 N ASN A 109 4.032 6.779 2.555 1.00 0.00 N ATOM 806 CA ASN A 109 4.541 8.123 2.493 1.00 0.00 C ATOM 807 C ASN A 109 4.943 8.456 1.085 1.00 0.00 C ATOM 808 O ASN A 109 4.699 9.569 0.619 1.00 0.00 O ATOM 809 CB ASN A 109 5.767 8.348 3.398 1.00 0.00 C ATOM 810 CG ASN A 109 6.208 9.808 3.294 1.00 0.00 C ATOM 811 OD1 ASN A 109 5.457 10.729 3.641 1.00 0.00 O ATOM 812 ND2 ASN A 109 7.466 10.009 2.795 1.00 0.00 N ATOM 0 H ASN A 109 4.612 6.140 3.099 1.00 0.00 H new ATOM 0 HA ASN A 109 3.734 8.767 2.842 1.00 0.00 H new ATOM 0 HB2 ASN A 109 5.521 8.103 4.431 1.00 0.00 H new ATOM 0 HB3 ASN A 109 6.581 7.688 3.099 1.00 0.00 H new ATOM 0 HD21 ASN A 109 7.829 10.957 2.693 1.00 0.00 H new ATOM 0 HD22 ASN A 109 8.041 9.211 2.525 1.00 0.00 H new ATOM 819 N LYS A 110 5.559 7.490 0.370 1.00 0.00 N ATOM 820 CA LYS A 110 5.987 7.698 -0.986 1.00 0.00 C ATOM 821 C LYS A 110 4.813 7.852 -1.903 1.00 0.00 C ATOM 822 O LYS A 110 4.903 8.578 -2.885 1.00 0.00 O ATOM 823 CB LYS A 110 6.805 6.530 -1.560 1.00 0.00 C ATOM 824 CG LYS A 110 8.208 6.408 -0.951 1.00 0.00 C ATOM 825 CD LYS A 110 8.981 5.178 -1.449 1.00 0.00 C ATOM 826 CE LYS A 110 9.354 5.237 -2.935 1.00 0.00 C ATOM 827 NZ LYS A 110 10.064 4.002 -3.333 1.00 0.00 N ATOM 0 H LYS A 110 5.762 6.559 0.734 1.00 0.00 H new ATOM 0 HA LYS A 110 6.603 8.596 -0.939 1.00 0.00 H new ATOM 0 HB2 LYS A 110 6.262 5.600 -1.392 1.00 0.00 H new ATOM 0 HB3 LYS A 110 6.896 6.656 -2.639 1.00 0.00 H new ATOM 0 HG2 LYS A 110 8.778 7.307 -1.186 1.00 0.00 H new ATOM 0 HG3 LYS A 110 8.122 6.360 0.135 1.00 0.00 H new ATOM 0 HD2 LYS A 110 9.892 5.071 -0.860 1.00 0.00 H new ATOM 0 HD3 LYS A 110 8.379 4.287 -1.271 1.00 0.00 H new ATOM 0 HE2 LYS A 110 8.455 5.359 -3.539 1.00 0.00 H new ATOM 0 HE3 LYS A 110 9.985 6.105 -3.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 10.312 4.054 -4.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 10.932 3.903 -2.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 9.449 3.180 -3.169 1.00 0.00 H new ATOM 841 N VAL A 111 3.693 7.166 -1.612 1.00 0.00 N ATOM 842 CA VAL A 111 2.510 7.183 -2.432 1.00 0.00 C ATOM 843 C VAL A 111 1.662 8.341 -2.053 1.00 0.00 C ATOM 844 O VAL A 111 0.771 8.715 -2.797 1.00 0.00 O ATOM 845 CB VAL A 111 1.767 5.862 -2.290 1.00 0.00 C ATOM 846 CG1 VAL A 111 0.380 5.852 -2.963 1.00 0.00 C ATOM 847 CG2 VAL A 111 2.667 4.788 -2.919 1.00 0.00 C ATOM 0 H VAL A 111 3.603 6.580 -0.782 1.00 0.00 H new ATOM 0 HA VAL A 111 2.781 7.297 -3.482 1.00 0.00 H new ATOM 0 HB VAL A 111 1.571 5.680 -1.233 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -0.087 4.878 -2.819 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -0.246 6.624 -2.517 1.00 0.00 H new ATOM 0 HG13 VAL A 111 0.492 6.047 -4.030 1.00 0.00 H new ATOM 0 HG21 VAL A 111 2.180 3.816 -2.844 1.00 0.00 H new ATOM 0 HG22 VAL A 111 2.840 5.027 -3.968 1.00 0.00 H new ATOM 0 HG23 VAL A 111 3.620 4.758 -2.392 1.00 0.00 H new ATOM 857 N LYS A 112 1.924 8.990 -0.916 1.00 0.00 N ATOM 858 CA LYS A 112 1.121 10.109 -0.536 1.00 0.00 C ATOM 859 C LYS A 112 1.585 11.304 -1.300 1.00 0.00 C ATOM 860 O LYS A 112 0.785 12.175 -1.631 1.00 0.00 O ATOM 861 CB LYS A 112 1.205 10.305 0.996 1.00 0.00 C ATOM 862 CG LYS A 112 0.691 11.624 1.586 1.00 0.00 C ATOM 863 CD LYS A 112 1.828 12.609 1.899 1.00 0.00 C ATOM 864 CE LYS A 112 1.378 13.773 2.784 1.00 0.00 C ATOM 865 NZ LYS A 112 2.508 14.694 3.037 1.00 0.00 N ATOM 0 H LYS A 112 2.674 8.752 -0.267 1.00 0.00 H new ATOM 0 HA LYS A 112 0.071 9.946 -0.777 1.00 0.00 H new ATOM 0 HB2 LYS A 112 0.653 9.492 1.467 1.00 0.00 H new ATOM 0 HB3 LYS A 112 2.249 10.193 1.289 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -0.003 12.086 0.885 1.00 0.00 H new ATOM 0 HG3 LYS A 112 0.132 11.417 2.499 1.00 0.00 H new ATOM 0 HD2 LYS A 112 2.639 12.075 2.394 1.00 0.00 H new ATOM 0 HD3 LYS A 112 2.229 13.003 0.965 1.00 0.00 H new ATOM 0 HE2 LYS A 112 0.563 14.311 2.301 1.00 0.00 H new ATOM 0 HE3 LYS A 112 0.992 13.392 3.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 2.188 15.479 3.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 3.274 14.180 3.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 2.858 15.071 2.133 1.00 0.00 H new ATOM 879 N GLU A 113 2.883 11.353 -1.632 1.00 0.00 N ATOM 880 CA GLU A 113 3.425 12.489 -2.312 1.00 0.00 C ATOM 881 C GLU A 113 3.378 12.279 -3.775 1.00 0.00 C ATOM 882 O GLU A 113 3.140 13.197 -4.558 1.00 0.00 O ATOM 883 CB GLU A 113 4.874 12.728 -1.892 1.00 0.00 C ATOM 884 CG GLU A 113 5.897 11.602 -2.083 1.00 0.00 C ATOM 885 CD GLU A 113 7.156 11.975 -1.315 1.00 0.00 C ATOM 886 OE1 GLU A 113 7.791 13.000 -1.673 1.00 0.00 O ATOM 887 OE2 GLU A 113 7.496 11.234 -0.353 1.00 0.00 O ATOM 0 H GLU A 113 3.556 10.613 -1.433 1.00 0.00 H new ATOM 0 HA GLU A 113 2.825 13.359 -2.045 1.00 0.00 H new ATOM 0 HB2 GLU A 113 5.236 13.598 -2.439 1.00 0.00 H new ATOM 0 HB3 GLU A 113 4.871 12.994 -0.835 1.00 0.00 H new ATOM 0 HG2 GLU A 113 5.495 10.656 -1.719 1.00 0.00 H new ATOM 0 HG3 GLU A 113 6.122 11.467 -3.141 1.00 0.00 H new ATOM 894 N ALA A 114 3.623 11.023 -4.138 1.00 0.00 N ATOM 895 CA ALA A 114 3.600 10.569 -5.506 1.00 0.00 C ATOM 896 C ALA A 114 2.211 10.616 -6.047 1.00 0.00 C ATOM 897 O ALA A 114 2.031 10.997 -7.201 1.00 0.00 O ATOM 898 CB ALA A 114 4.091 9.135 -5.743 1.00 0.00 C ATOM 0 H ALA A 114 3.846 10.286 -3.469 1.00 0.00 H new ATOM 0 HA ALA A 114 4.289 11.250 -6.006 1.00 0.00 H new ATOM 0 HB1 ALA A 114 4.030 8.900 -6.806 1.00 0.00 H new ATOM 0 HB2 ALA A 114 5.125 9.045 -5.410 1.00 0.00 H new ATOM 0 HB3 ALA A 114 3.467 8.439 -5.182 1.00 0.00 H new ATOM 904 N LEU A 115 1.193 10.255 -5.228 1.00 0.00 N ATOM 905 CA LEU A 115 -0.180 10.351 -5.662 1.00 0.00 C ATOM 906 C LEU A 115 -0.453 11.800 -5.715 1.00 0.00 C ATOM 907 O LEU A 115 -1.130 12.280 -6.625 1.00 0.00 O ATOM 908 CB LEU A 115 -1.177 9.648 -4.733 1.00 0.00 C ATOM 909 CG LEU A 115 -2.636 9.859 -5.149 1.00 0.00 C ATOM 910 CD1 LEU A 115 -2.977 9.286 -6.537 1.00 0.00 C ATOM 911 CD2 LEU A 115 -3.595 9.290 -4.092 1.00 0.00 C ATOM 0 H LEU A 115 1.317 9.902 -4.279 1.00 0.00 H new ATOM 0 HA LEU A 115 -0.308 9.848 -6.620 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -0.960 8.580 -4.718 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -1.038 10.015 -3.716 1.00 0.00 H new ATOM 0 HG LEU A 115 -2.767 10.939 -5.220 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -4.027 9.474 -6.760 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -2.354 9.765 -7.292 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -2.792 8.212 -6.543 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -4.625 9.452 -4.410 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -3.415 8.221 -3.975 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -3.426 9.792 -3.140 1.00 0.00 H new ATOM 923 N GLN A 116 0.117 12.502 -4.726 1.00 0.00 N ATOM 924 CA GLN A 116 -0.046 13.918 -4.576 1.00 0.00 C ATOM 925 C GLN A 116 -1.455 14.127 -4.136 1.00 0.00 C ATOM 926 O GLN A 116 -2.206 14.938 -4.676 1.00 0.00 O ATOM 927 CB GLN A 116 0.325 14.775 -5.810 1.00 0.00 C ATOM 928 CG GLN A 116 0.584 16.251 -5.484 1.00 0.00 C ATOM 929 CD GLN A 116 0.855 16.988 -6.795 1.00 0.00 C ATOM 930 OE1 GLN A 116 1.983 17.417 -7.064 1.00 0.00 O ATOM 931 NE2 GLN A 116 -0.226 17.136 -7.620 1.00 0.00 N ATOM 0 H GLN A 116 0.707 12.079 -4.010 1.00 0.00 H new ATOM 0 HA GLN A 116 0.673 14.275 -3.839 1.00 0.00 H new ATOM 0 HB2 GLN A 116 1.215 14.355 -6.278 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -0.481 14.710 -6.541 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -0.277 16.685 -4.975 1.00 0.00 H new ATOM 0 HG3 GLN A 116 1.435 16.348 -4.810 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -1.133 16.760 -7.344 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -0.125 17.622 -8.511 1.00 0.00 H new ATOM 940 N VAL A 117 -1.807 13.378 -3.071 1.00 0.00 N ATOM 941 CA VAL A 117 -2.969 13.623 -2.273 1.00 0.00 C ATOM 942 C VAL A 117 -2.436 14.511 -1.193 1.00 0.00 C ATOM 943 O VAL A 117 -3.181 15.087 -0.401 1.00 0.00 O ATOM 944 CB VAL A 117 -3.587 12.340 -1.734 1.00 0.00 C ATOM 945 CG1 VAL A 117 -2.583 11.556 -0.865 1.00 0.00 C ATOM 946 CG2 VAL A 117 -4.914 12.632 -1.006 1.00 0.00 C ATOM 0 H VAL A 117 -1.263 12.575 -2.756 1.00 0.00 H new ATOM 0 HA VAL A 117 -3.789 14.075 -2.830 1.00 0.00 H new ATOM 0 HB VAL A 117 -3.829 11.693 -2.577 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -3.055 10.646 -0.496 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -1.710 11.295 -1.463 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -2.273 12.172 -0.021 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -5.336 11.700 -0.630 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -4.730 13.309 -0.172 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -5.616 13.094 -1.700 1.00 0.00 H new ATOM 956 N GLN A 118 -1.092 14.671 -1.192 1.00 0.00 N ATOM 957 CA GLN A 118 -0.440 15.600 -0.307 1.00 0.00 C ATOM 958 C GLN A 118 -0.921 17.025 -0.591 1.00 0.00 C ATOM 959 O GLN A 118 -0.805 17.869 0.337 1.00 0.00 O ATOM 960 CB GLN A 118 1.104 15.607 -0.405 1.00 0.00 C ATOM 961 CG GLN A 118 1.659 16.300 -1.659 1.00 0.00 C ATOM 962 CD GLN A 118 3.173 16.096 -1.761 1.00 0.00 C ATOM 963 OE1 GLN A 118 3.707 15.963 -2.870 1.00 0.00 O ATOM 964 NE2 GLN A 118 3.867 16.080 -0.583 1.00 0.00 N ATOM 965 OXT GLN A 118 -1.400 17.296 -1.726 1.00 0.00 O ATOM 0 H GLN A 118 -0.458 14.157 -1.804 1.00 0.00 H new ATOM 0 HA GLN A 118 -0.708 15.264 0.695 1.00 0.00 H new ATOM 0 HB2 GLN A 118 1.509 16.102 0.478 1.00 0.00 H new ATOM 0 HB3 GLN A 118 1.461 14.577 -0.386 1.00 0.00 H new ATOM 0 HG2 GLN A 118 1.172 15.900 -2.548 1.00 0.00 H new ATOM 0 HG3 GLN A 118 1.432 17.365 -1.623 1.00 0.00 H new ATOM 0 HE21 GLN A 118 3.373 16.195 0.302 1.00 0.00 H new ATOM 0 HE22 GLN A 118 4.879 15.953 -0.589 1.00 0.00 H new TER 974 GLN A 118