USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 475 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 Single : A 29 GLN : amide:sc= -0.71 K(o=-0.71,f=-2.6!) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 CYS SG : rot -150:sc= -8.45! USER MOD Single : A 34 SER OG : rot 180:sc= 0.128 USER MOD Single : A 35 CYS SG : rot 180:sc= -0.0377 USER MOD Single : A 36 HIS : no HE2:sc= 0.341 K(o=0.34,f=-3.7!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.119 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -145:sc= 1.15 (180deg=0.386) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 0.0714 X(o=0.071,f=-0.34) USER MOD Single : A 68 GLN : amide:sc= -0.17 K(o=-0.17,f=-6.1!) USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ -163:sc= 1.24 (180deg=0.998) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 19 N ASP A 23 -12.433 3.096 -1.881 1.00 0.00 N ATOM 20 CA ASP A 23 -12.220 1.737 -2.332 1.00 0.00 C ATOM 21 C ASP A 23 -10.723 1.500 -2.413 1.00 0.00 C ATOM 22 O ASP A 23 -10.056 1.892 -3.367 1.00 0.00 O ATOM 23 CB ASP A 23 -12.894 1.539 -3.689 1.00 0.00 C ATOM 24 CG ASP A 23 -14.396 1.457 -3.498 1.00 0.00 C ATOM 25 OD1 ASP A 23 -15.002 2.549 -3.439 1.00 0.00 O ATOM 26 OD2 ASP A 23 -14.885 0.321 -3.330 1.00 0.00 O ATOM 0 HA ASP A 23 -12.658 1.019 -1.639 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.646 2.365 -4.355 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -12.526 0.628 -4.161 1.00 0.00 H new ATOM 31 N ALA A 24 -10.212 0.867 -1.361 1.00 0.00 N ATOM 32 CA ALA A 24 -8.802 0.645 -1.134 1.00 0.00 C ATOM 33 C ALA A 24 -8.091 0.149 -2.385 1.00 0.00 C ATOM 34 O ALA A 24 -7.056 0.684 -2.782 1.00 0.00 O ATOM 35 CB ALA A 24 -8.658 -0.373 -0.018 1.00 0.00 C ATOM 0 H ALA A 24 -10.798 0.483 -0.619 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.337 1.592 -0.860 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.601 -0.558 0.172 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.128 0.011 0.888 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -9.142 -1.305 -0.311 1.00 0.00 H new ATOM 41 N GLU A 25 -8.656 -0.881 -3.018 1.00 0.00 N ATOM 42 CA GLU A 25 -8.065 -1.399 -4.230 1.00 0.00 C ATOM 43 C GLU A 25 -8.087 -0.329 -5.318 1.00 0.00 C ATOM 44 O GLU A 25 -7.075 -0.127 -5.958 1.00 0.00 O ATOM 45 CB GLU A 25 -8.679 -2.742 -4.636 1.00 0.00 C ATOM 46 CG GLU A 25 -9.818 -2.650 -5.648 1.00 0.00 C ATOM 47 CD GLU A 25 -10.433 -4.019 -5.924 1.00 0.00 C ATOM 48 OE1 GLU A 25 -9.986 -4.993 -5.275 1.00 0.00 O ATOM 49 OE2 GLU A 25 -11.347 -4.061 -6.774 1.00 0.00 O ATOM 0 H GLU A 25 -9.504 -1.357 -2.711 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.015 -1.632 -4.053 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.893 -3.373 -5.052 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.048 -3.241 -3.740 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.586 -1.974 -5.272 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.445 -2.223 -6.579 1.00 0.00 H new ATOM 56 N ALA A 26 -9.186 0.409 -5.508 1.00 0.00 N ATOM 57 CA ALA A 26 -9.250 1.455 -6.527 1.00 0.00 C ATOM 58 C ALA A 26 -8.132 2.479 -6.338 1.00 0.00 C ATOM 59 O ALA A 26 -7.506 2.893 -7.311 1.00 0.00 O ATOM 60 CB ALA A 26 -10.618 2.141 -6.529 1.00 0.00 C ATOM 0 H ALA A 26 -10.043 0.299 -4.967 1.00 0.00 H new ATOM 0 HA ALA A 26 -9.110 0.978 -7.497 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -10.636 2.914 -7.297 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.394 1.404 -6.737 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.800 2.594 -5.554 1.00 0.00 H new ATOM 66 N VAL A 27 -7.858 2.863 -5.085 1.00 0.00 N ATOM 67 CA VAL A 27 -6.662 3.630 -4.757 1.00 0.00 C ATOM 68 C VAL A 27 -5.463 2.856 -5.274 1.00 0.00 C ATOM 69 O VAL A 27 -4.766 3.353 -6.152 1.00 0.00 O ATOM 70 CB VAL A 27 -6.565 3.914 -3.239 1.00 0.00 C ATOM 71 CG1 VAL A 27 -5.433 4.893 -2.916 1.00 0.00 C ATOM 72 CG2 VAL A 27 -7.858 4.501 -2.666 1.00 0.00 C ATOM 0 H VAL A 27 -8.453 2.652 -4.284 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.699 4.609 -5.234 1.00 0.00 H new ATOM 0 HB VAL A 27 -6.371 2.944 -2.781 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -5.398 5.067 -1.840 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -4.483 4.473 -3.247 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.611 5.837 -3.430 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -7.734 4.681 -1.598 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -8.085 5.441 -3.168 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -8.677 3.799 -2.823 1.00 0.00 H new ATOM 82 N VAL A 28 -5.182 1.655 -4.774 1.00 0.00 N ATOM 83 CA VAL A 28 -3.876 1.092 -5.023 1.00 0.00 C ATOM 84 C VAL A 28 -3.635 0.793 -6.504 1.00 0.00 C ATOM 85 O VAL A 28 -2.597 1.179 -7.050 1.00 0.00 O ATOM 86 CB VAL A 28 -3.724 -0.073 -4.058 1.00 0.00 C ATOM 87 CG1 VAL A 28 -2.570 -0.994 -4.452 1.00 0.00 C ATOM 88 CG2 VAL A 28 -3.626 0.527 -2.640 1.00 0.00 C ATOM 0 H VAL A 28 -5.816 1.081 -4.219 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.073 1.802 -4.823 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.588 -0.737 -4.090 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.497 -1.813 -3.736 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.751 -1.398 -5.448 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.638 -0.429 -4.453 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.515 -0.276 -1.912 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.762 1.189 -2.584 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.531 1.093 -2.421 1.00 0.00 H new ATOM 98 N GLN A 29 -4.657 0.235 -7.147 1.00 0.00 N ATOM 99 CA GLN A 29 -4.828 0.008 -8.576 1.00 0.00 C ATOM 100 C GLN A 29 -4.696 1.299 -9.403 1.00 0.00 C ATOM 101 O GLN A 29 -4.720 1.225 -10.628 1.00 0.00 O ATOM 102 CB GLN A 29 -6.179 -0.709 -8.802 1.00 0.00 C ATOM 103 CG GLN A 29 -6.210 -2.201 -8.409 1.00 0.00 C ATOM 104 CD GLN A 29 -5.191 -2.631 -7.353 1.00 0.00 C ATOM 105 OE1 GLN A 29 -5.427 -2.488 -6.159 1.00 0.00 O ATOM 106 NE2 GLN A 29 -4.046 -3.171 -7.767 1.00 0.00 N ATOM 0 H GLN A 29 -5.466 -0.103 -6.626 1.00 0.00 H new ATOM 0 HA GLN A 29 -4.021 -0.631 -8.934 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -6.948 -0.185 -8.235 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -6.445 -0.623 -9.855 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -7.208 -2.440 -8.042 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -6.049 -2.798 -9.307 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.866 -3.283 -8.765 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -3.349 -3.473 -7.086 1.00 0.00 H new ATOM 115 N GLN A 30 -4.514 2.469 -8.775 1.00 0.00 N ATOM 116 CA GLN A 30 -4.159 3.707 -9.458 1.00 0.00 C ATOM 117 C GLN A 30 -3.124 4.580 -8.730 1.00 0.00 C ATOM 118 O GLN A 30 -2.800 5.659 -9.223 1.00 0.00 O ATOM 119 CB GLN A 30 -5.443 4.493 -9.761 1.00 0.00 C ATOM 120 CG GLN A 30 -5.508 4.720 -11.278 1.00 0.00 C ATOM 121 CD GLN A 30 -6.819 5.344 -11.732 1.00 0.00 C ATOM 122 OE1 GLN A 30 -7.520 4.794 -12.572 1.00 0.00 O ATOM 123 NE2 GLN A 30 -7.157 6.514 -11.200 1.00 0.00 N ATOM 0 H GLN A 30 -4.612 2.577 -7.765 1.00 0.00 H new ATOM 0 HA GLN A 30 -3.655 3.421 -10.381 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -6.318 3.941 -9.420 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -5.441 5.446 -9.232 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -4.682 5.365 -11.579 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -5.370 3.767 -11.788 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.554 6.950 -10.502 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -8.019 6.976 -11.490 1.00 0.00 H new ATOM 132 N LYS A 31 -2.625 4.158 -7.565 1.00 0.00 N ATOM 133 CA LYS A 31 -1.781 4.968 -6.696 1.00 0.00 C ATOM 134 C LYS A 31 -0.480 4.253 -6.339 1.00 0.00 C ATOM 135 O LYS A 31 0.520 4.927 -6.104 1.00 0.00 O ATOM 136 CB LYS A 31 -2.574 5.338 -5.434 1.00 0.00 C ATOM 137 CG LYS A 31 -3.626 6.430 -5.666 1.00 0.00 C ATOM 138 CD LYS A 31 -2.970 7.762 -6.062 1.00 0.00 C ATOM 139 CE LYS A 31 -3.827 8.942 -5.583 1.00 0.00 C ATOM 140 NZ LYS A 31 -3.199 10.242 -5.888 1.00 0.00 N ATOM 0 H LYS A 31 -2.803 3.224 -7.196 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.499 5.876 -7.229 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.068 4.445 -5.051 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.879 5.673 -4.664 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.314 6.114 -6.450 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.216 6.568 -4.760 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -1.973 7.828 -5.626 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.849 7.808 -7.144 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.808 8.893 -6.056 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.988 8.860 -4.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.811 11.011 -5.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.274 10.300 -5.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.069 10.332 -6.916 1.00 0.00 H new ATOM 154 N CYS A 32 -0.479 2.918 -6.265 1.00 0.00 N ATOM 155 CA CYS A 32 0.703 2.143 -5.899 1.00 0.00 C ATOM 156 C CYS A 32 1.232 1.370 -7.099 1.00 0.00 C ATOM 157 O CYS A 32 2.450 1.272 -7.270 1.00 0.00 O ATOM 158 CB CYS A 32 0.423 1.190 -4.735 1.00 0.00 C ATOM 159 SG CYS A 32 -0.872 1.795 -3.613 1.00 0.00 S ATOM 0 H CYS A 32 -1.301 2.347 -6.458 1.00 0.00 H new ATOM 0 HA CYS A 32 1.464 2.851 -5.571 1.00 0.00 H new ATOM 0 HB2 CYS A 32 0.127 0.219 -5.132 1.00 0.00 H new ATOM 0 HB3 CYS A 32 1.342 1.037 -4.170 1.00 0.00 H new ATOM 0 HG CYS A 32 -0.646 1.354 -2.411 1.00 0.00 H new ATOM 164 N ILE A 33 0.331 0.832 -7.934 1.00 0.00 N ATOM 165 CA ILE A 33 0.725 0.036 -9.092 1.00 0.00 C ATOM 166 C ILE A 33 1.756 0.767 -9.953 1.00 0.00 C ATOM 167 O ILE A 33 2.615 0.131 -10.559 1.00 0.00 O ATOM 168 CB ILE A 33 -0.484 -0.417 -9.927 1.00 0.00 C ATOM 169 CG1 ILE A 33 -1.268 0.743 -10.568 1.00 0.00 C ATOM 170 CG2 ILE A 33 -1.398 -1.325 -9.097 1.00 0.00 C ATOM 171 CD1 ILE A 33 -2.107 0.257 -11.755 1.00 0.00 C ATOM 0 H ILE A 33 -0.677 0.938 -7.823 1.00 0.00 H new ATOM 0 HA ILE A 33 1.198 -0.866 -8.705 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.084 -0.988 -10.765 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.919 1.201 -9.823 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.574 1.514 -10.902 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.249 -1.637 -9.703 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.841 -2.204 -8.774 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.755 -0.781 -8.223 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.649 1.099 -12.186 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.452 -0.178 -12.510 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.818 -0.496 -11.414 1.00 0.00 H new ATOM 183 N SER A 34 1.692 2.102 -9.959 1.00 0.00 N ATOM 184 CA SER A 34 2.657 3.006 -10.550 1.00 0.00 C ATOM 185 C SER A 34 4.109 2.547 -10.360 1.00 0.00 C ATOM 186 O SER A 34 4.913 2.716 -11.273 1.00 0.00 O ATOM 187 CB SER A 34 2.427 4.382 -9.918 1.00 0.00 C ATOM 188 OG SER A 34 1.033 4.614 -9.795 1.00 0.00 O ATOM 0 H SER A 34 0.916 2.600 -9.523 1.00 0.00 H new ATOM 0 HA SER A 34 2.509 3.034 -11.629 1.00 0.00 H new ATOM 0 HB2 SER A 34 2.903 4.429 -8.939 1.00 0.00 H new ATOM 0 HB3 SER A 34 2.884 5.158 -10.532 1.00 0.00 H new ATOM 0 HG SER A 34 0.882 5.493 -9.389 1.00 0.00 H new ATOM 194 N CYS A 35 4.441 2.001 -9.181 1.00 0.00 N ATOM 195 CA CYS A 35 5.778 1.498 -8.866 1.00 0.00 C ATOM 196 C CYS A 35 5.726 0.022 -8.449 1.00 0.00 C ATOM 197 O CYS A 35 6.601 -0.761 -8.817 1.00 0.00 O ATOM 198 CB CYS A 35 6.451 2.376 -7.798 1.00 0.00 C ATOM 199 SG CYS A 35 6.117 4.141 -8.112 1.00 0.00 S ATOM 0 H CYS A 35 3.778 1.897 -8.413 1.00 0.00 H new ATOM 0 HA CYS A 35 6.390 1.554 -9.766 1.00 0.00 H new ATOM 0 HB2 CYS A 35 6.083 2.101 -6.809 1.00 0.00 H new ATOM 0 HB3 CYS A 35 7.526 2.198 -7.799 1.00 0.00 H new ATOM 0 HG CYS A 35 6.694 4.861 -7.196 1.00 0.00 H new ATOM 204 N HIS A 36 4.704 -0.381 -7.690 1.00 0.00 N ATOM 205 CA HIS A 36 4.570 -1.752 -7.214 1.00 0.00 C ATOM 206 C HIS A 36 4.044 -2.715 -8.291 1.00 0.00 C ATOM 207 O HIS A 36 4.089 -3.929 -8.092 1.00 0.00 O ATOM 208 CB HIS A 36 3.732 -1.766 -5.929 1.00 0.00 C ATOM 209 CG HIS A 36 4.445 -1.108 -4.768 1.00 0.00 C ATOM 210 ND1 HIS A 36 5.412 -1.712 -3.991 1.00 0.00 N ATOM 211 CD2 HIS A 36 4.254 0.162 -4.280 1.00 0.00 C ATOM 212 CE1 HIS A 36 5.763 -0.831 -3.040 1.00 0.00 C ATOM 213 NE2 HIS A 36 5.096 0.328 -3.171 1.00 0.00 N ATOM 0 H HIS A 36 3.949 0.236 -7.391 1.00 0.00 H new ATOM 0 HA HIS A 36 5.564 -2.133 -6.978 1.00 0.00 H new ATOM 0 HB2 HIS A 36 2.787 -1.253 -6.109 1.00 0.00 H new ATOM 0 HB3 HIS A 36 3.491 -2.796 -5.667 1.00 0.00 H new ATOM 0 HD1 HIS A 36 5.789 -2.651 -4.115 1.00 0.00 H new ATOM 0 HD2 HIS A 36 3.576 0.901 -4.680 1.00 0.00 H new ATOM 0 HE1 HIS A 36 6.490 -1.029 -2.267 1.00 0.00 H new ATOM 221 N GLY A 37 3.586 -2.208 -9.440 1.00 0.00 N ATOM 222 CA GLY A 37 3.078 -3.027 -10.534 1.00 0.00 C ATOM 223 C GLY A 37 1.622 -3.424 -10.293 1.00 0.00 C ATOM 224 O GLY A 37 1.172 -3.447 -9.152 1.00 0.00 O ATOM 0 H GLY A 37 3.559 -1.207 -9.634 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.158 -2.477 -11.472 1.00 0.00 H new ATOM 0 HA3 GLY A 37 3.690 -3.923 -10.637 1.00 0.00 H new ATOM 228 N GLY A 38 0.884 -3.727 -11.370 1.00 0.00 N ATOM 229 CA GLY A 38 -0.550 -4.023 -11.356 1.00 0.00 C ATOM 230 C GLY A 38 -0.977 -4.916 -10.190 1.00 0.00 C ATOM 231 O GLY A 38 -1.837 -4.542 -9.393 1.00 0.00 O ATOM 0 H GLY A 38 1.286 -3.774 -12.306 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -1.106 -3.087 -11.309 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.822 -4.508 -12.293 1.00 0.00 H new ATOM 235 N ASP A 39 -0.356 -6.094 -10.105 1.00 0.00 N ATOM 236 CA ASP A 39 -0.641 -7.118 -9.109 1.00 0.00 C ATOM 237 C ASP A 39 0.101 -6.876 -7.789 1.00 0.00 C ATOM 238 O ASP A 39 -0.003 -7.692 -6.877 1.00 0.00 O ATOM 239 CB ASP A 39 -0.287 -8.491 -9.694 1.00 0.00 C ATOM 240 CG ASP A 39 -1.122 -8.804 -10.926 1.00 0.00 C ATOM 241 OD1 ASP A 39 -2.209 -9.392 -10.746 1.00 0.00 O ATOM 242 OD2 ASP A 39 -0.659 -8.420 -12.023 1.00 0.00 O ATOM 0 H ASP A 39 0.384 -6.367 -10.752 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.704 -7.078 -8.870 1.00 0.00 H new ATOM 0 HB2 ASP A 39 0.771 -8.515 -9.955 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.447 -9.261 -8.940 1.00 0.00 H new ATOM 247 N LEU A 40 0.875 -5.788 -7.682 1.00 0.00 N ATOM 248 CA LEU A 40 1.600 -5.388 -6.476 1.00 0.00 C ATOM 249 C LEU A 40 2.738 -6.363 -6.160 1.00 0.00 C ATOM 250 O LEU A 40 3.247 -6.412 -5.036 1.00 0.00 O ATOM 251 CB LEU A 40 0.631 -5.174 -5.304 1.00 0.00 C ATOM 252 CG LEU A 40 -0.557 -4.279 -5.698 1.00 0.00 C ATOM 253 CD1 LEU A 40 -1.729 -4.529 -4.749 1.00 0.00 C ATOM 254 CD2 LEU A 40 -0.160 -2.801 -5.739 1.00 0.00 C ATOM 0 H LEU A 40 1.016 -5.143 -8.460 1.00 0.00 H new ATOM 0 HA LEU A 40 2.079 -4.426 -6.657 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.260 -6.139 -4.959 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.166 -4.721 -4.469 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.872 -4.541 -6.708 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.568 -3.893 -5.032 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.030 -5.575 -4.810 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.426 -4.297 -3.728 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.024 -2.200 -6.021 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.192 -2.491 -4.755 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.635 -2.658 -6.470 1.00 0.00 H new ATOM 266 N THR A 41 3.161 -7.093 -7.196 1.00 0.00 N ATOM 267 CA THR A 41 4.226 -8.074 -7.219 1.00 0.00 C ATOM 268 C THR A 41 5.605 -7.410 -7.255 1.00 0.00 C ATOM 269 O THR A 41 6.611 -8.105 -7.153 1.00 0.00 O ATOM 270 CB THR A 41 3.996 -8.923 -8.477 1.00 0.00 C ATOM 271 OG1 THR A 41 3.628 -8.067 -9.547 1.00 0.00 O ATOM 272 CG2 THR A 41 2.849 -9.914 -8.254 1.00 0.00 C ATOM 0 H THR A 41 2.724 -6.997 -8.113 1.00 0.00 H new ATOM 0 HA THR A 41 4.209 -8.684 -6.316 1.00 0.00 H new ATOM 0 HB THR A 41 4.913 -9.468 -8.702 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.480 -8.600 -10.356 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.700 -10.507 -9.156 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.095 -10.574 -7.422 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.935 -9.367 -8.025 1.00 0.00 H new ATOM 280 N GLY A 42 5.657 -6.082 -7.396 1.00 0.00 N ATOM 281 CA GLY A 42 6.878 -5.305 -7.327 1.00 0.00 C ATOM 282 C GLY A 42 7.462 -5.097 -8.721 1.00 0.00 C ATOM 283 O GLY A 42 7.881 -6.063 -9.354 1.00 0.00 O ATOM 0 H GLY A 42 4.827 -5.513 -7.565 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.675 -4.339 -6.864 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.605 -5.815 -6.695 1.00 0.00 H new ATOM 287 N ALA A 43 7.482 -3.849 -9.210 1.00 0.00 N ATOM 288 CA ALA A 43 8.115 -3.494 -10.476 1.00 0.00 C ATOM 289 C ALA A 43 9.305 -2.567 -10.209 1.00 0.00 C ATOM 290 O ALA A 43 10.450 -3.011 -10.218 1.00 0.00 O ATOM 291 CB ALA A 43 7.072 -2.893 -11.428 1.00 0.00 C ATOM 0 H ALA A 43 7.055 -3.056 -8.731 1.00 0.00 H new ATOM 0 HA ALA A 43 8.511 -4.380 -10.972 1.00 0.00 H new ATOM 0 HB1 ALA A 43 7.550 -2.630 -12.372 1.00 0.00 H new ATOM 0 HB2 ALA A 43 6.284 -3.623 -11.612 1.00 0.00 H new ATOM 0 HB3 ALA A 43 6.641 -1.999 -10.978 1.00 0.00 H new ATOM 297 N SER A 44 9.033 -1.291 -9.934 1.00 0.00 N ATOM 298 CA SER A 44 10.023 -0.290 -9.540 1.00 0.00 C ATOM 299 C SER A 44 10.145 -0.191 -8.014 1.00 0.00 C ATOM 300 O SER A 44 10.861 0.666 -7.503 1.00 0.00 O ATOM 301 CB SER A 44 9.639 1.069 -10.129 1.00 0.00 C ATOM 302 OG SER A 44 9.474 0.964 -11.531 1.00 0.00 O ATOM 0 H SER A 44 8.086 -0.914 -9.981 1.00 0.00 H new ATOM 0 HA SER A 44 10.994 -0.597 -9.929 1.00 0.00 H new ATOM 0 HB2 SER A 44 8.715 1.424 -9.672 1.00 0.00 H new ATOM 0 HB3 SER A 44 10.411 1.804 -9.900 1.00 0.00 H new ATOM 0 HG SER A 44 9.227 1.839 -11.898 1.00 0.00 H new ATOM 308 N ALA A 45 9.394 -1.022 -7.291 1.00 0.00 N ATOM 309 CA ALA A 45 9.295 -1.076 -5.845 1.00 0.00 C ATOM 310 C ALA A 45 9.168 -2.559 -5.497 1.00 0.00 C ATOM 311 O ALA A 45 8.808 -3.336 -6.381 1.00 0.00 O ATOM 312 CB ALA A 45 8.049 -0.291 -5.444 1.00 0.00 C ATOM 0 H ALA A 45 8.800 -1.721 -7.738 1.00 0.00 H new ATOM 0 HA ALA A 45 10.150 -0.645 -5.324 1.00 0.00 H new ATOM 0 HB1 ALA A 45 7.941 -0.309 -4.360 1.00 0.00 H new ATOM 0 HB2 ALA A 45 8.145 0.741 -5.782 1.00 0.00 H new ATOM 0 HB3 ALA A 45 7.170 -0.743 -5.904 1.00 0.00 H new ATOM 318 N PRO A 46 9.471 -2.983 -4.262 1.00 0.00 N ATOM 319 CA PRO A 46 9.357 -4.378 -3.876 1.00 0.00 C ATOM 320 C PRO A 46 7.904 -4.854 -3.938 1.00 0.00 C ATOM 321 O PRO A 46 6.966 -4.054 -4.000 1.00 0.00 O ATOM 322 CB PRO A 46 9.937 -4.474 -2.460 1.00 0.00 C ATOM 323 CG PRO A 46 9.806 -3.053 -1.917 1.00 0.00 C ATOM 324 CD PRO A 46 9.965 -2.179 -3.159 1.00 0.00 C ATOM 0 HA PRO A 46 9.903 -5.028 -4.560 1.00 0.00 H new ATOM 0 HB2 PRO A 46 9.385 -5.188 -1.849 1.00 0.00 H new ATOM 0 HB3 PRO A 46 10.976 -4.803 -2.475 1.00 0.00 H new ATOM 0 HG2 PRO A 46 8.841 -2.895 -1.436 1.00 0.00 H new ATOM 0 HG3 PRO A 46 10.572 -2.836 -1.173 1.00 0.00 H new ATOM 0 HD2 PRO A 46 9.398 -1.253 -3.063 1.00 0.00 H new ATOM 0 HD3 PRO A 46 11.007 -1.900 -3.312 1.00 0.00 H new ATOM 332 N ALA A 47 7.733 -6.179 -3.915 1.00 0.00 N ATOM 333 CA ALA A 47 6.428 -6.810 -3.864 1.00 0.00 C ATOM 334 C ALA A 47 5.759 -6.425 -2.552 1.00 0.00 C ATOM 335 O ALA A 47 6.309 -6.721 -1.492 1.00 0.00 O ATOM 336 CB ALA A 47 6.583 -8.332 -3.950 1.00 0.00 C ATOM 0 H ALA A 47 8.508 -6.842 -3.932 1.00 0.00 H new ATOM 0 HA ALA A 47 5.817 -6.478 -4.703 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.600 -8.801 -3.911 1.00 0.00 H new ATOM 0 HB2 ALA A 47 7.074 -8.595 -4.887 1.00 0.00 H new ATOM 0 HB3 ALA A 47 7.186 -8.684 -3.113 1.00 0.00 H new ATOM 342 N ILE A 48 4.597 -5.769 -2.614 1.00 0.00 N ATOM 343 CA ILE A 48 3.828 -5.463 -1.414 1.00 0.00 C ATOM 344 C ILE A 48 2.488 -6.185 -1.394 1.00 0.00 C ATOM 345 O ILE A 48 1.791 -6.088 -0.390 1.00 0.00 O ATOM 346 CB ILE A 48 3.774 -3.954 -1.089 1.00 0.00 C ATOM 347 CG1 ILE A 48 3.063 -3.061 -2.112 1.00 0.00 C ATOM 348 CG2 ILE A 48 5.207 -3.443 -0.907 1.00 0.00 C ATOM 349 CD1 ILE A 48 1.535 -3.118 -2.008 1.00 0.00 C ATOM 0 H ILE A 48 4.173 -5.442 -3.482 1.00 0.00 H new ATOM 0 HA ILE A 48 4.376 -5.877 -0.567 1.00 0.00 H new ATOM 0 HB ILE A 48 3.170 -3.881 -0.184 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.391 -2.031 -1.975 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.363 -3.360 -3.116 1.00 0.00 H new ATOM 0 HG21 ILE A 48 5.187 -2.378 -0.677 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.684 -3.982 -0.089 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.771 -3.605 -1.826 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.094 -2.463 -2.760 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.197 -4.141 -2.174 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.225 -2.790 -1.016 1.00 0.00 H new ATOM 361 N ASP A 49 2.153 -6.978 -2.417 1.00 0.00 N ATOM 362 CA ASP A 49 0.990 -7.863 -2.381 1.00 0.00 C ATOM 363 C ASP A 49 0.903 -8.655 -1.062 1.00 0.00 C ATOM 364 O ASP A 49 -0.176 -8.790 -0.493 1.00 0.00 O ATOM 365 CB ASP A 49 0.971 -8.783 -3.617 1.00 0.00 C ATOM 366 CG ASP A 49 1.911 -9.975 -3.521 1.00 0.00 C ATOM 367 OD1 ASP A 49 3.046 -9.778 -3.036 1.00 0.00 O ATOM 368 OD2 ASP A 49 1.458 -11.087 -3.882 1.00 0.00 O ATOM 0 H ASP A 49 2.680 -7.023 -3.289 1.00 0.00 H new ATOM 0 HA ASP A 49 0.096 -7.241 -2.417 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.045 -9.147 -3.770 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.235 -8.196 -4.497 1.00 0.00 H new ATOM 373 N LYS A 50 2.042 -9.151 -0.562 1.00 0.00 N ATOM 374 CA LYS A 50 2.157 -9.928 0.676 1.00 0.00 C ATOM 375 C LYS A 50 2.567 -9.063 1.859 1.00 0.00 C ATOM 376 O LYS A 50 2.781 -9.585 2.950 1.00 0.00 O ATOM 377 CB LYS A 50 3.088 -11.145 0.521 1.00 0.00 C ATOM 378 CG LYS A 50 2.282 -12.415 0.215 1.00 0.00 C ATOM 379 CD LYS A 50 1.667 -12.258 -1.171 1.00 0.00 C ATOM 380 CE LYS A 50 0.863 -13.461 -1.663 1.00 0.00 C ATOM 381 NZ LYS A 50 0.939 -13.520 -3.135 1.00 0.00 N ATOM 0 H LYS A 50 2.940 -9.017 -1.026 1.00 0.00 H new ATOM 0 HA LYS A 50 1.160 -10.314 0.886 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.803 -10.961 -0.281 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.664 -11.286 1.436 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.927 -13.293 0.249 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.503 -12.562 0.963 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.017 -11.383 -1.166 1.00 0.00 H new ATOM 0 HD3 LYS A 50 2.466 -12.057 -1.885 1.00 0.00 H new ATOM 0 HE2 LYS A 50 1.257 -14.380 -1.229 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.175 -13.376 -1.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.036 -13.869 -3.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.129 -12.569 -3.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 1.706 -14.163 -3.418 1.00 0.00 H new ATOM 395 N ALA A 51 2.689 -7.749 1.680 1.00 0.00 N ATOM 396 CA ALA A 51 3.003 -6.871 2.787 1.00 0.00 C ATOM 397 C ALA A 51 2.021 -7.052 3.945 1.00 0.00 C ATOM 398 O ALA A 51 2.423 -6.834 5.074 1.00 0.00 O ATOM 399 CB ALA A 51 3.100 -5.425 2.316 1.00 0.00 C ATOM 0 H ALA A 51 2.575 -7.279 0.782 1.00 0.00 H new ATOM 0 HA ALA A 51 3.983 -7.147 3.177 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.337 -4.781 3.163 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.885 -5.339 1.565 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.148 -5.119 1.883 1.00 0.00 H new ATOM 405 N GLY A 52 0.782 -7.505 3.706 1.00 0.00 N ATOM 406 CA GLY A 52 -0.129 -7.875 4.783 1.00 0.00 C ATOM 407 C GLY A 52 0.295 -9.125 5.554 1.00 0.00 C ATOM 408 O GLY A 52 0.008 -9.255 6.741 1.00 0.00 O ATOM 0 H GLY A 52 0.393 -7.622 2.771 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.209 -7.041 5.480 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.122 -8.038 4.365 1.00 0.00 H new ATOM 412 N ALA A 53 0.931 -10.084 4.879 1.00 0.00 N ATOM 413 CA ALA A 53 1.509 -11.248 5.536 1.00 0.00 C ATOM 414 C ALA A 53 2.783 -10.840 6.278 1.00 0.00 C ATOM 415 O ALA A 53 3.018 -11.277 7.402 1.00 0.00 O ATOM 416 CB ALA A 53 1.798 -12.347 4.507 1.00 0.00 C ATOM 0 H ALA A 53 1.057 -10.072 3.867 1.00 0.00 H new ATOM 0 HA ALA A 53 0.799 -11.645 6.261 1.00 0.00 H new ATOM 0 HB1 ALA A 53 2.230 -13.212 5.010 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.870 -12.639 4.016 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.500 -11.973 3.762 1.00 0.00 H new ATOM 422 N ASN A 54 3.615 -10.018 5.633 1.00 0.00 N ATOM 423 CA ASN A 54 4.933 -9.655 6.146 1.00 0.00 C ATOM 424 C ASN A 54 4.819 -8.665 7.306 1.00 0.00 C ATOM 425 O ASN A 54 5.544 -8.784 8.291 1.00 0.00 O ATOM 426 CB ASN A 54 5.794 -9.029 5.038 1.00 0.00 C ATOM 427 CG ASN A 54 5.977 -9.928 3.817 1.00 0.00 C ATOM 428 OD1 ASN A 54 5.965 -11.150 3.917 1.00 0.00 O ATOM 429 ND2 ASN A 54 6.150 -9.330 2.640 1.00 0.00 N ATOM 0 H ASN A 54 3.390 -9.585 4.737 1.00 0.00 H new ATOM 0 HA ASN A 54 5.406 -10.570 6.502 1.00 0.00 H new ATOM 0 HB2 ASN A 54 5.337 -8.091 4.722 1.00 0.00 H new ATOM 0 HB3 ASN A 54 6.774 -8.784 5.447 1.00 0.00 H new ATOM 0 HD21 ASN A 54 6.276 -9.890 1.797 1.00 0.00 H new ATOM 0 HD22 ASN A 54 6.156 -8.312 2.581 1.00 0.00 H new ATOM 436 N TYR A 55 3.955 -7.661 7.145 1.00 0.00 N ATOM 437 CA TYR A 55 3.792 -6.502 8.017 1.00 0.00 C ATOM 438 C TYR A 55 2.306 -6.356 8.358 1.00 0.00 C ATOM 439 O TYR A 55 1.458 -6.955 7.702 1.00 0.00 O ATOM 440 CB TYR A 55 4.292 -5.232 7.304 1.00 0.00 C ATOM 441 CG TYR A 55 5.689 -5.275 6.709 1.00 0.00 C ATOM 442 CD1 TYR A 55 6.743 -5.915 7.388 1.00 0.00 C ATOM 443 CD2 TYR A 55 5.957 -4.577 5.515 1.00 0.00 C ATOM 444 CE1 TYR A 55 8.026 -5.965 6.814 1.00 0.00 C ATOM 445 CE2 TYR A 55 7.251 -4.591 4.964 1.00 0.00 C ATOM 446 CZ TYR A 55 8.280 -5.299 5.604 1.00 0.00 C ATOM 447 OH TYR A 55 9.516 -5.360 5.035 1.00 0.00 O ATOM 0 H TYR A 55 3.312 -7.636 6.353 1.00 0.00 H new ATOM 0 HA TYR A 55 4.373 -6.639 8.929 1.00 0.00 H new ATOM 0 HB2 TYR A 55 3.591 -4.996 6.504 1.00 0.00 H new ATOM 0 HB3 TYR A 55 4.253 -4.407 8.016 1.00 0.00 H new ATOM 0 HD1 TYR A 55 6.566 -6.369 8.352 1.00 0.00 H new ATOM 0 HD2 TYR A 55 5.167 -4.030 5.022 1.00 0.00 H new ATOM 0 HE1 TYR A 55 8.816 -6.515 7.304 1.00 0.00 H new ATOM 0 HE2 TYR A 55 7.453 -4.056 4.048 1.00 0.00 H new ATOM 0 HH TYR A 55 9.518 -4.845 4.201 1.00 0.00 H new ATOM 457 N SER A 56 1.976 -5.568 9.380 1.00 0.00 N ATOM 458 CA SER A 56 0.606 -5.373 9.836 1.00 0.00 C ATOM 459 C SER A 56 0.011 -4.070 9.293 1.00 0.00 C ATOM 460 O SER A 56 0.722 -3.225 8.747 1.00 0.00 O ATOM 461 CB SER A 56 0.556 -5.433 11.367 1.00 0.00 C ATOM 462 OG SER A 56 -0.569 -6.196 11.760 1.00 0.00 O ATOM 0 H SER A 56 2.663 -5.042 9.920 1.00 0.00 H new ATOM 0 HA SER A 56 -0.012 -6.180 9.442 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.470 -5.881 11.757 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.492 -4.427 11.782 1.00 0.00 H new ATOM 0 HG SER A 56 -0.608 -6.241 12.738 1.00 0.00 H new ATOM 468 N GLU A 57 -1.309 -3.909 9.451 1.00 0.00 N ATOM 469 CA GLU A 57 -2.029 -2.770 8.899 1.00 0.00 C ATOM 470 C GLU A 57 -1.392 -1.456 9.372 1.00 0.00 C ATOM 471 O GLU A 57 -1.129 -0.587 8.549 1.00 0.00 O ATOM 472 CB GLU A 57 -3.549 -2.895 9.135 1.00 0.00 C ATOM 473 CG GLU A 57 -4.027 -2.692 10.577 1.00 0.00 C ATOM 474 CD GLU A 57 -4.551 -1.277 10.783 1.00 0.00 C ATOM 475 OE1 GLU A 57 -5.641 -1.005 10.234 1.00 0.00 O ATOM 476 OE2 GLU A 57 -3.849 -0.499 11.459 1.00 0.00 O ATOM 0 H GLU A 57 -1.899 -4.565 9.963 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.931 -2.761 7.813 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.056 -2.168 8.500 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -3.867 -3.884 8.804 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.812 -3.412 10.809 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.205 -2.884 11.267 1.00 0.00 H new ATOM 483 N GLU A 58 -1.048 -1.353 10.658 1.00 0.00 N ATOM 484 CA GLU A 58 -0.377 -0.196 11.235 1.00 0.00 C ATOM 485 C GLU A 58 0.902 0.178 10.467 1.00 0.00 C ATOM 486 O GLU A 58 1.083 1.327 10.067 1.00 0.00 O ATOM 487 CB GLU A 58 -0.114 -0.429 12.734 1.00 0.00 C ATOM 488 CG GLU A 58 0.415 -1.830 13.099 1.00 0.00 C ATOM 489 CD GLU A 58 0.857 -1.918 14.556 1.00 0.00 C ATOM 490 OE1 GLU A 58 1.535 -0.969 15.009 1.00 0.00 O ATOM 491 OE2 GLU A 58 0.517 -2.939 15.190 1.00 0.00 O ATOM 0 H GLU A 58 -1.234 -2.090 11.338 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.040 0.664 11.139 1.00 0.00 H new ATOM 0 HB2 GLU A 58 0.604 0.314 13.080 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.041 -0.255 13.280 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.363 -2.570 12.912 1.00 0.00 H new ATOM 0 HG3 GLU A 58 1.255 -2.079 12.451 1.00 0.00 H new ATOM 498 N GLU A 59 1.786 -0.796 10.242 1.00 0.00 N ATOM 499 CA GLU A 59 3.050 -0.587 9.551 1.00 0.00 C ATOM 500 C GLU A 59 2.782 -0.064 8.140 1.00 0.00 C ATOM 501 O GLU A 59 3.370 0.923 7.696 1.00 0.00 O ATOM 502 CB GLU A 59 3.817 -1.917 9.502 1.00 0.00 C ATOM 503 CG GLU A 59 4.224 -2.406 10.897 1.00 0.00 C ATOM 504 CD GLU A 59 4.884 -3.773 10.813 1.00 0.00 C ATOM 505 OE1 GLU A 59 4.113 -4.756 10.771 1.00 0.00 O ATOM 506 OE2 GLU A 59 6.129 -3.812 10.746 1.00 0.00 O ATOM 0 H GLU A 59 1.638 -1.760 10.539 1.00 0.00 H new ATOM 0 HA GLU A 59 3.652 0.151 10.082 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.197 -2.674 9.021 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.709 -1.797 8.887 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.910 -1.692 11.353 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.346 -2.459 11.540 1.00 0.00 H new ATOM 513 N ILE A 60 1.880 -0.741 7.428 1.00 0.00 N ATOM 514 CA ILE A 60 1.578 -0.429 6.039 1.00 0.00 C ATOM 515 C ILE A 60 0.987 0.979 5.980 1.00 0.00 C ATOM 516 O ILE A 60 1.456 1.811 5.209 1.00 0.00 O ATOM 517 CB ILE A 60 0.655 -1.503 5.433 1.00 0.00 C ATOM 518 CG1 ILE A 60 1.322 -2.887 5.499 1.00 0.00 C ATOM 519 CG2 ILE A 60 0.278 -1.174 3.980 1.00 0.00 C ATOM 520 CD1 ILE A 60 0.352 -4.040 5.235 1.00 0.00 C ATOM 0 H ILE A 60 1.340 -1.521 7.803 1.00 0.00 H new ATOM 0 HA ILE A 60 2.483 -0.440 5.432 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.260 -1.516 6.025 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.131 -2.928 4.770 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.773 -3.019 6.483 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.374 -1.955 3.587 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.242 -0.217 3.947 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.182 -1.117 3.374 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.888 -4.987 5.297 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -0.444 -4.024 5.980 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.080 -3.932 4.240 1.00 0.00 H new ATOM 532 N LEU A 61 -0.013 1.254 6.821 1.00 0.00 N ATOM 533 CA LEU A 61 -0.639 2.556 6.992 1.00 0.00 C ATOM 534 C LEU A 61 0.421 3.629 7.137 1.00 0.00 C ATOM 535 O LEU A 61 0.457 4.589 6.363 1.00 0.00 O ATOM 536 CB LEU A 61 -1.528 2.541 8.243 1.00 0.00 C ATOM 537 CG LEU A 61 -2.310 3.839 8.501 1.00 0.00 C ATOM 538 CD1 LEU A 61 -3.003 4.369 7.244 1.00 0.00 C ATOM 539 CD2 LEU A 61 -3.366 3.582 9.579 1.00 0.00 C ATOM 0 H LEU A 61 -0.422 0.541 7.425 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.248 2.773 6.115 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.238 1.718 8.156 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.903 2.332 9.112 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.592 4.593 8.824 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.540 5.287 7.484 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.257 4.575 6.477 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.707 3.623 6.874 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.925 4.499 9.767 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.050 2.804 9.240 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.877 3.260 10.498 1.00 0.00 H new ATOM 551 N ASP A 62 1.286 3.459 8.140 1.00 0.00 N ATOM 552 CA ASP A 62 2.285 4.467 8.420 1.00 0.00 C ATOM 553 C ASP A 62 3.158 4.648 7.185 1.00 0.00 C ATOM 554 O ASP A 62 3.361 5.770 6.732 1.00 0.00 O ATOM 555 CB ASP A 62 3.095 4.119 9.670 1.00 0.00 C ATOM 556 CG ASP A 62 3.940 5.313 10.097 1.00 0.00 C ATOM 557 OD1 ASP A 62 3.333 6.355 10.442 1.00 0.00 O ATOM 558 OD2 ASP A 62 5.178 5.187 10.029 1.00 0.00 O ATOM 0 H ASP A 62 1.308 2.646 8.755 1.00 0.00 H new ATOM 0 HA ASP A 62 1.799 5.417 8.641 1.00 0.00 H new ATOM 0 HB2 ASP A 62 2.424 3.831 10.479 1.00 0.00 H new ATOM 0 HB3 ASP A 62 3.738 3.262 9.469 1.00 0.00 H new ATOM 563 N ILE A 63 3.590 3.554 6.561 1.00 0.00 N ATOM 564 CA ILE A 63 4.429 3.634 5.370 1.00 0.00 C ATOM 565 C ILE A 63 3.716 4.393 4.246 1.00 0.00 C ATOM 566 O ILE A 63 4.322 5.227 3.582 1.00 0.00 O ATOM 567 CB ILE A 63 4.885 2.221 4.959 1.00 0.00 C ATOM 568 CG1 ILE A 63 6.164 1.854 5.731 1.00 0.00 C ATOM 569 CG2 ILE A 63 5.133 2.121 3.448 1.00 0.00 C ATOM 570 CD1 ILE A 63 6.400 0.341 5.803 1.00 0.00 C ATOM 0 H ILE A 63 3.373 2.604 6.861 1.00 0.00 H new ATOM 0 HA ILE A 63 5.328 4.209 5.592 1.00 0.00 H new ATOM 0 HB ILE A 63 4.088 1.520 5.206 1.00 0.00 H new ATOM 0 HG12 ILE A 63 7.021 2.329 5.252 1.00 0.00 H new ATOM 0 HG13 ILE A 63 6.101 2.256 6.742 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.453 1.109 3.198 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.213 2.353 2.912 1.00 0.00 H new ATOM 0 HG23 ILE A 63 5.910 2.829 3.159 1.00 0.00 H new ATOM 0 HD11 ILE A 63 7.316 0.142 6.359 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.559 -0.135 6.307 1.00 0.00 H new ATOM 0 HD13 ILE A 63 6.493 -0.061 4.794 1.00 0.00 H new ATOM 582 N ILE A 64 2.431 4.137 4.015 1.00 0.00 N ATOM 583 CA ILE A 64 1.667 4.842 2.994 1.00 0.00 C ATOM 584 C ILE A 64 1.668 6.340 3.301 1.00 0.00 C ATOM 585 O ILE A 64 1.943 7.166 2.428 1.00 0.00 O ATOM 586 CB ILE A 64 0.248 4.260 2.928 1.00 0.00 C ATOM 587 CG1 ILE A 64 0.330 2.809 2.437 1.00 0.00 C ATOM 588 CG2 ILE A 64 -0.655 5.073 1.990 1.00 0.00 C ATOM 589 CD1 ILE A 64 -0.857 2.006 2.956 1.00 0.00 C ATOM 0 H ILE A 64 1.894 3.438 4.528 1.00 0.00 H new ATOM 0 HA ILE A 64 2.123 4.709 2.013 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.189 4.302 3.925 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.344 2.787 1.347 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.261 2.355 2.777 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.651 4.630 1.970 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -0.722 6.100 2.349 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.235 5.067 0.984 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.785 0.979 2.599 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.852 2.013 4.046 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.784 2.452 2.594 1.00 0.00 H new ATOM 601 N LEU A 65 1.367 6.682 4.552 1.00 0.00 N ATOM 602 CA LEU A 65 1.304 8.060 5.010 1.00 0.00 C ATOM 603 C LEU A 65 2.681 8.749 4.974 1.00 0.00 C ATOM 604 O LEU A 65 2.743 9.953 4.721 1.00 0.00 O ATOM 605 CB LEU A 65 0.715 8.079 6.427 1.00 0.00 C ATOM 606 CG LEU A 65 -0.752 7.608 6.533 1.00 0.00 C ATOM 607 CD1 LEU A 65 -1.070 7.348 8.009 1.00 0.00 C ATOM 608 CD2 LEU A 65 -1.712 8.659 5.989 1.00 0.00 C ATOM 0 H LEU A 65 1.158 6.000 5.281 1.00 0.00 H new ATOM 0 HA LEU A 65 0.663 8.625 4.333 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.330 7.448 7.068 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.784 9.094 6.819 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.876 6.701 5.942 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.103 7.014 8.105 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.402 6.578 8.395 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.931 8.267 8.578 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.736 8.297 6.078 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.602 9.582 6.559 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.485 8.851 4.940 1.00 0.00 H new ATOM 620 N ASN A 66 3.762 8.007 5.252 1.00 0.00 N ATOM 621 CA ASN A 66 5.106 8.527 5.530 1.00 0.00 C ATOM 622 C ASN A 66 6.046 8.374 4.337 1.00 0.00 C ATOM 623 O ASN A 66 6.689 9.340 3.938 1.00 0.00 O ATOM 624 CB ASN A 66 5.741 7.788 6.721 1.00 0.00 C ATOM 625 CG ASN A 66 5.205 8.244 8.075 1.00 0.00 C ATOM 626 OD1 ASN A 66 5.897 8.922 8.828 1.00 0.00 O ATOM 627 ND2 ASN A 66 3.974 7.861 8.383 1.00 0.00 N ATOM 0 H ASN A 66 3.721 6.989 5.291 1.00 0.00 H new ATOM 0 HA ASN A 66 4.978 9.586 5.753 1.00 0.00 H new ATOM 0 HB2 ASN A 66 5.564 6.718 6.611 1.00 0.00 H new ATOM 0 HB3 ASN A 66 6.821 7.937 6.697 1.00 0.00 H new ATOM 0 HD21 ASN A 66 3.565 8.130 9.278 1.00 0.00 H new ATOM 0 HD22 ASN A 66 3.436 7.297 7.725 1.00 0.00 H new ATOM 634 N GLY A 67 6.170 7.151 3.814 1.00 0.00 N ATOM 635 CA GLY A 67 7.135 6.736 2.808 1.00 0.00 C ATOM 636 C GLY A 67 7.859 5.463 3.260 1.00 0.00 C ATOM 637 O GLY A 67 7.500 4.857 4.266 1.00 0.00 O ATOM 0 H GLY A 67 5.562 6.385 4.102 1.00 0.00 H new ATOM 0 HA2 GLY A 67 6.628 6.557 1.860 1.00 0.00 H new ATOM 0 HA3 GLY A 67 7.859 7.533 2.637 1.00 0.00 H new ATOM 641 N GLN A 68 8.889 5.076 2.505 1.00 0.00 N ATOM 642 CA GLN A 68 9.828 3.989 2.767 1.00 0.00 C ATOM 643 C GLN A 68 10.970 4.236 1.782 1.00 0.00 C ATOM 644 O GLN A 68 10.673 4.483 0.622 1.00 0.00 O ATOM 645 CB GLN A 68 9.216 2.601 2.465 1.00 0.00 C ATOM 646 CG GLN A 68 10.275 1.488 2.437 1.00 0.00 C ATOM 647 CD GLN A 68 11.056 1.270 3.722 1.00 0.00 C ATOM 648 OE1 GLN A 68 11.705 2.182 4.228 1.00 0.00 O ATOM 649 NE2 GLN A 68 11.063 0.038 4.216 1.00 0.00 N ATOM 0 H GLN A 68 9.103 5.552 1.629 1.00 0.00 H new ATOM 0 HA GLN A 68 10.128 3.980 3.815 1.00 0.00 H new ATOM 0 HB2 GLN A 68 8.465 2.366 3.220 1.00 0.00 H new ATOM 0 HB3 GLN A 68 8.702 2.635 1.504 1.00 0.00 H new ATOM 0 HG2 GLN A 68 9.781 0.553 2.174 1.00 0.00 H new ATOM 0 HG3 GLN A 68 10.984 1.710 1.639 1.00 0.00 H new ATOM 0 HE21 GLN A 68 10.511 -0.694 3.769 1.00 0.00 H new ATOM 0 HE22 GLN A 68 11.620 -0.177 5.043 1.00 0.00 H new ATOM 658 N GLY A 69 12.238 4.131 2.181 1.00 0.00 N ATOM 659 CA GLY A 69 13.380 4.292 1.275 1.00 0.00 C ATOM 660 C GLY A 69 13.186 5.413 0.237 1.00 0.00 C ATOM 661 O GLY A 69 13.169 6.585 0.605 1.00 0.00 O ATOM 0 H GLY A 69 12.505 3.931 3.145 1.00 0.00 H new ATOM 0 HA2 GLY A 69 14.273 4.502 1.863 1.00 0.00 H new ATOM 0 HA3 GLY A 69 13.556 3.351 0.754 1.00 0.00 H new ATOM 665 N GLY A 70 13.032 5.065 -1.049 1.00 0.00 N ATOM 666 CA GLY A 70 12.837 6.019 -2.138 1.00 0.00 C ATOM 667 C GLY A 70 11.369 6.380 -2.404 1.00 0.00 C ATOM 668 O GLY A 70 11.089 7.280 -3.193 1.00 0.00 O ATOM 0 H GLY A 70 13.040 4.094 -1.361 1.00 0.00 H new ATOM 0 HA2 GLY A 70 13.388 6.931 -1.910 1.00 0.00 H new ATOM 0 HA3 GLY A 70 13.269 5.606 -3.050 1.00 0.00 H new ATOM 672 N MET A 71 10.418 5.681 -1.780 1.00 0.00 N ATOM 673 CA MET A 71 8.992 5.958 -1.892 1.00 0.00 C ATOM 674 C MET A 71 8.705 7.351 -1.322 1.00 0.00 C ATOM 675 O MET A 71 9.073 7.609 -0.177 1.00 0.00 O ATOM 676 CB MET A 71 8.226 4.895 -1.096 1.00 0.00 C ATOM 677 CG MET A 71 6.705 4.959 -1.200 1.00 0.00 C ATOM 678 SD MET A 71 5.901 3.561 -0.367 1.00 0.00 S ATOM 679 CE MET A 71 4.341 4.344 0.113 1.00 0.00 C ATOM 0 H MET A 71 10.627 4.890 -1.171 1.00 0.00 H new ATOM 0 HA MET A 71 8.678 5.930 -2.935 1.00 0.00 H new ATOM 0 HB2 MET A 71 8.554 3.911 -1.431 1.00 0.00 H new ATOM 0 HB3 MET A 71 8.504 4.983 -0.046 1.00 0.00 H new ATOM 0 HG2 MET A 71 6.352 5.893 -0.762 1.00 0.00 H new ATOM 0 HG3 MET A 71 6.415 4.970 -2.251 1.00 0.00 H new ATOM 0 HE1 MET A 71 3.719 3.622 0.641 1.00 0.00 H new ATOM 0 HE2 MET A 71 4.546 5.192 0.766 1.00 0.00 H new ATOM 0 HE3 MET A 71 3.818 4.690 -0.779 1.00 0.00 H new ATOM 689 N PRO A 72 8.027 8.238 -2.070 1.00 0.00 N ATOM 690 CA PRO A 72 7.787 9.612 -1.653 1.00 0.00 C ATOM 691 C PRO A 72 6.918 9.681 -0.399 1.00 0.00 C ATOM 692 O PRO A 72 7.131 10.532 0.458 1.00 0.00 O ATOM 693 CB PRO A 72 7.124 10.300 -2.852 1.00 0.00 C ATOM 694 CG PRO A 72 6.468 9.145 -3.604 1.00 0.00 C ATOM 695 CD PRO A 72 7.447 7.997 -3.380 1.00 0.00 C ATOM 0 HA PRO A 72 8.716 10.112 -1.378 1.00 0.00 H new ATOM 0 HB2 PRO A 72 6.390 11.041 -2.535 1.00 0.00 H new ATOM 0 HB3 PRO A 72 7.855 10.820 -3.472 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.478 8.915 -3.209 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.344 9.370 -4.663 1.00 0.00 H new ATOM 0 HD2 PRO A 72 6.938 7.034 -3.414 1.00 0.00 H new ATOM 0 HD3 PRO A 72 8.215 7.979 -4.153 1.00 0.00 H new ATOM 703 N GLY A 73 5.930 8.789 -0.307 1.00 0.00 N ATOM 704 CA GLY A 73 5.029 8.728 0.823 1.00 0.00 C ATOM 705 C GLY A 73 3.928 9.774 0.721 1.00 0.00 C ATOM 706 O GLY A 73 3.967 10.683 -0.108 1.00 0.00 O ATOM 0 H GLY A 73 5.739 8.089 -1.024 1.00 0.00 H new ATOM 0 HA2 GLY A 73 4.583 7.735 0.880 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.590 8.879 1.745 1.00 0.00 H new ATOM 710 N GLY A 74 2.896 9.598 1.542 1.00 0.00 N ATOM 711 CA GLY A 74 1.716 10.444 1.530 1.00 0.00 C ATOM 712 C GLY A 74 0.959 10.323 0.210 1.00 0.00 C ATOM 713 O GLY A 74 0.215 11.226 -0.164 1.00 0.00 O ATOM 0 H GLY A 74 2.860 8.855 2.240 1.00 0.00 H new ATOM 0 HA2 GLY A 74 1.059 10.167 2.355 1.00 0.00 H new ATOM 0 HA3 GLY A 74 2.009 11.482 1.690 1.00 0.00 H new ATOM 717 N ILE A 75 1.135 9.193 -0.481 1.00 0.00 N ATOM 718 CA ILE A 75 0.496 8.910 -1.755 1.00 0.00 C ATOM 719 C ILE A 75 -1.018 8.805 -1.574 1.00 0.00 C ATOM 720 O ILE A 75 -1.770 9.160 -2.483 1.00 0.00 O ATOM 721 CB ILE A 75 1.105 7.624 -2.340 1.00 0.00 C ATOM 722 CG1 ILE A 75 2.554 7.831 -2.813 1.00 0.00 C ATOM 723 CG2 ILE A 75 0.251 7.060 -3.479 1.00 0.00 C ATOM 724 CD1 ILE A 75 2.703 8.873 -3.929 1.00 0.00 C ATOM 0 H ILE A 75 1.740 8.438 -0.157 1.00 0.00 H new ATOM 0 HA ILE A 75 0.673 9.723 -2.459 1.00 0.00 H new ATOM 0 HB ILE A 75 1.119 6.896 -1.529 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.163 8.135 -1.962 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.950 6.878 -3.164 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.714 6.152 -3.866 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.746 6.828 -3.105 1.00 0.00 H new ATOM 0 HG23 ILE A 75 0.176 7.798 -4.278 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.753 8.961 -4.207 1.00 0.00 H new ATOM 0 HD12 ILE A 75 2.123 8.561 -4.798 1.00 0.00 H new ATOM 0 HD13 ILE A 75 2.339 9.838 -3.577 1.00 0.00 H new ATOM 736 N ALA A 76 -1.441 8.315 -0.406 1.00 0.00 N ATOM 737 CA ALA A 76 -2.821 8.296 0.029 1.00 0.00 C ATOM 738 C ALA A 76 -2.845 8.805 1.466 1.00 0.00 C ATOM 739 O ALA A 76 -1.844 8.625 2.166 1.00 0.00 O ATOM 740 CB ALA A 76 -3.355 6.865 -0.056 1.00 0.00 C ATOM 0 H ALA A 76 -0.803 7.909 0.279 1.00 0.00 H new ATOM 0 HA ALA A 76 -3.451 8.926 -0.599 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -4.395 6.845 0.271 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -3.291 6.513 -1.086 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -2.760 6.216 0.586 1.00 0.00 H new ATOM 746 N LYS A 77 -3.933 9.445 1.915 1.00 0.00 N ATOM 747 CA LYS A 77 -4.033 9.965 3.273 1.00 0.00 C ATOM 748 C LYS A 77 -5.443 9.850 3.866 1.00 0.00 C ATOM 749 O LYS A 77 -6.443 9.816 3.154 1.00 0.00 O ATOM 750 CB LYS A 77 -3.493 11.404 3.321 1.00 0.00 C ATOM 751 CG LYS A 77 -1.954 11.422 3.334 1.00 0.00 C ATOM 752 CD LYS A 77 -1.347 12.752 3.803 1.00 0.00 C ATOM 753 CE LYS A 77 0.184 12.593 3.916 1.00 0.00 C ATOM 754 NZ LYS A 77 0.784 13.436 4.971 1.00 0.00 N ATOM 0 H LYS A 77 -4.762 9.613 1.345 1.00 0.00 H new ATOM 0 HA LYS A 77 -3.412 9.338 3.912 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -3.858 11.961 2.458 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -3.873 11.908 4.210 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.597 10.623 3.984 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -1.590 11.203 2.330 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.592 13.547 3.099 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -1.768 13.039 4.767 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.420 11.548 4.118 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.640 12.843 2.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.812 13.283 4.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.588 14.437 4.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 0.375 13.182 5.893 1.00 0.00 H new ATOM 768 N GLY A 78 -5.512 9.769 5.200 1.00 0.00 N ATOM 769 CA GLY A 78 -6.755 9.574 5.934 1.00 0.00 C ATOM 770 C GLY A 78 -7.425 8.266 5.517 1.00 0.00 C ATOM 771 O GLY A 78 -6.733 7.291 5.211 1.00 0.00 O ATOM 0 H GLY A 78 -4.692 9.839 5.802 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -6.553 9.560 7.005 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -7.429 10.410 5.747 1.00 0.00 H new ATOM 775 N ALA A 79 -8.763 8.281 5.434 1.00 0.00 N ATOM 776 CA ALA A 79 -9.604 7.151 5.047 1.00 0.00 C ATOM 777 C ALA A 79 -9.032 6.378 3.858 1.00 0.00 C ATOM 778 O ALA A 79 -9.138 5.157 3.803 1.00 0.00 O ATOM 779 CB ALA A 79 -11.017 7.644 4.729 1.00 0.00 C ATOM 0 H ALA A 79 -9.306 9.118 5.644 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.635 6.460 5.890 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -11.641 6.798 4.441 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -11.442 8.125 5.610 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.976 8.361 3.909 1.00 0.00 H new ATOM 785 N GLU A 80 -8.429 7.094 2.909 1.00 0.00 N ATOM 786 CA GLU A 80 -7.727 6.526 1.776 1.00 0.00 C ATOM 787 C GLU A 80 -6.658 5.529 2.263 1.00 0.00 C ATOM 788 O GLU A 80 -6.730 4.336 1.967 1.00 0.00 O ATOM 789 CB GLU A 80 -7.128 7.707 0.999 1.00 0.00 C ATOM 790 CG GLU A 80 -6.806 7.455 -0.476 1.00 0.00 C ATOM 791 CD GLU A 80 -6.011 8.620 -1.064 1.00 0.00 C ATOM 792 OE1 GLU A 80 -5.659 9.526 -0.272 1.00 0.00 O ATOM 793 OE2 GLU A 80 -5.736 8.564 -2.282 1.00 0.00 O ATOM 0 H GLU A 80 -8.420 8.114 2.915 1.00 0.00 H new ATOM 0 HA GLU A 80 -8.389 5.958 1.122 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.824 8.544 1.059 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -6.212 8.017 1.501 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.235 6.532 -0.576 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.731 7.320 -1.037 1.00 0.00 H new ATOM 800 N ALA A 81 -5.671 6.005 3.034 1.00 0.00 N ATOM 801 CA ALA A 81 -4.577 5.182 3.512 1.00 0.00 C ATOM 802 C ALA A 81 -5.087 4.136 4.497 1.00 0.00 C ATOM 803 O ALA A 81 -4.617 3.005 4.472 1.00 0.00 O ATOM 804 CB ALA A 81 -3.514 6.068 4.159 1.00 0.00 C ATOM 0 H ALA A 81 -5.618 6.977 3.339 1.00 0.00 H new ATOM 0 HA ALA A 81 -4.129 4.656 2.669 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.693 5.448 4.518 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -3.137 6.780 3.424 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.953 6.609 4.997 1.00 0.00 H new ATOM 810 N GLU A 82 -6.040 4.497 5.359 1.00 0.00 N ATOM 811 CA GLU A 82 -6.648 3.569 6.307 1.00 0.00 C ATOM 812 C GLU A 82 -7.253 2.379 5.555 1.00 0.00 C ATOM 813 O GLU A 82 -6.988 1.216 5.867 1.00 0.00 O ATOM 814 CB GLU A 82 -7.721 4.308 7.114 1.00 0.00 C ATOM 815 CG GLU A 82 -7.149 5.460 7.957 1.00 0.00 C ATOM 816 CD GLU A 82 -8.222 6.476 8.330 1.00 0.00 C ATOM 817 OE1 GLU A 82 -9.376 6.042 8.530 1.00 0.00 O ATOM 818 OE2 GLU A 82 -7.879 7.679 8.367 1.00 0.00 O ATOM 0 H GLU A 82 -6.411 5.445 5.417 1.00 0.00 H new ATOM 0 HA GLU A 82 -5.891 3.188 6.992 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -8.474 4.703 6.432 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -8.226 3.600 7.771 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -6.699 5.057 8.864 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -6.355 5.958 7.401 1.00 0.00 H new ATOM 825 N ALA A 83 -8.062 2.680 4.534 1.00 0.00 N ATOM 826 CA ALA A 83 -8.665 1.670 3.688 1.00 0.00 C ATOM 827 C ALA A 83 -7.572 0.802 3.070 1.00 0.00 C ATOM 828 O ALA A 83 -7.653 -0.421 3.177 1.00 0.00 O ATOM 829 CB ALA A 83 -9.571 2.319 2.637 1.00 0.00 C ATOM 0 H ALA A 83 -8.311 3.635 4.279 1.00 0.00 H new ATOM 0 HA ALA A 83 -9.303 1.019 4.286 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -10.015 1.545 2.011 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -10.361 2.881 3.135 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -8.982 2.994 2.016 1.00 0.00 H new ATOM 835 N VAL A 84 -6.540 1.417 2.465 1.00 0.00 N ATOM 836 CA VAL A 84 -5.395 0.651 1.980 1.00 0.00 C ATOM 837 C VAL A 84 -4.879 -0.282 3.073 1.00 0.00 C ATOM 838 O VAL A 84 -4.795 -1.475 2.839 1.00 0.00 O ATOM 839 CB VAL A 84 -4.239 1.515 1.449 1.00 0.00 C ATOM 840 CG1 VAL A 84 -3.076 0.600 1.036 1.00 0.00 C ATOM 841 CG2 VAL A 84 -4.577 2.340 0.208 1.00 0.00 C ATOM 0 H VAL A 84 -6.481 2.423 2.306 1.00 0.00 H new ATOM 0 HA VAL A 84 -5.765 0.076 1.131 1.00 0.00 H new ATOM 0 HB VAL A 84 -4.000 2.199 2.264 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.253 1.206 0.658 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -2.739 0.028 1.900 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.410 -0.084 0.256 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.703 2.917 -0.095 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.870 1.674 -0.603 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -5.399 3.019 0.435 1.00 0.00 H new ATOM 851 N ALA A 85 -4.495 0.244 4.235 1.00 0.00 N ATOM 852 CA ALA A 85 -3.887 -0.514 5.321 1.00 0.00 C ATOM 853 C ALA A 85 -4.676 -1.783 5.617 1.00 0.00 C ATOM 854 O ALA A 85 -4.116 -2.876 5.583 1.00 0.00 O ATOM 855 CB ALA A 85 -3.813 0.372 6.559 1.00 0.00 C ATOM 0 H ALA A 85 -4.602 1.235 4.450 1.00 0.00 H new ATOM 0 HA ALA A 85 -2.883 -0.818 5.025 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -3.359 -0.185 7.379 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -3.209 1.253 6.341 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.818 0.683 6.844 1.00 0.00 H new ATOM 861 N ALA A 86 -5.980 -1.650 5.874 1.00 0.00 N ATOM 862 CA ALA A 86 -6.824 -2.806 6.142 1.00 0.00 C ATOM 863 C ALA A 86 -6.841 -3.755 4.939 1.00 0.00 C ATOM 864 O ALA A 86 -6.606 -4.954 5.076 1.00 0.00 O ATOM 865 CB ALA A 86 -8.236 -2.341 6.508 1.00 0.00 C ATOM 0 H ALA A 86 -6.468 -0.755 5.901 1.00 0.00 H new ATOM 0 HA ALA A 86 -6.415 -3.360 6.987 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -8.865 -3.209 6.708 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -8.193 -1.712 7.397 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -8.657 -1.771 5.680 1.00 0.00 H new ATOM 871 N TRP A 87 -7.113 -3.211 3.752 1.00 0.00 N ATOM 872 CA TRP A 87 -7.226 -3.959 2.505 1.00 0.00 C ATOM 873 C TRP A 87 -5.914 -4.652 2.105 1.00 0.00 C ATOM 874 O TRP A 87 -5.924 -5.656 1.396 1.00 0.00 O ATOM 875 CB TRP A 87 -7.669 -2.972 1.434 1.00 0.00 C ATOM 876 CG TRP A 87 -7.617 -3.458 0.024 1.00 0.00 C ATOM 877 CD1 TRP A 87 -8.558 -4.125 -0.681 1.00 0.00 C ATOM 878 CD2 TRP A 87 -6.534 -3.228 -0.904 1.00 0.00 C ATOM 879 NE1 TRP A 87 -8.007 -4.553 -1.873 1.00 0.00 N ATOM 880 CE2 TRP A 87 -6.749 -4.019 -2.059 1.00 0.00 C ATOM 881 CE3 TRP A 87 -5.364 -2.454 -0.870 1.00 0.00 C ATOM 882 CZ2 TRP A 87 -5.775 -4.104 -3.061 1.00 0.00 C ATOM 883 CZ3 TRP A 87 -4.572 -2.335 -2.019 1.00 0.00 C ATOM 884 CH2 TRP A 87 -4.846 -3.086 -3.156 1.00 0.00 C ATOM 0 H TRP A 87 -7.265 -2.210 3.631 1.00 0.00 H new ATOM 0 HA TRP A 87 -7.951 -4.763 2.628 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -8.692 -2.666 1.653 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -7.046 -2.081 1.512 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -9.576 -4.296 -0.363 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -8.470 -5.182 -2.530 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -5.075 -1.951 0.041 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -5.751 -4.943 -3.741 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -3.737 -1.650 -2.022 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -4.345 -2.879 -4.090 1.00 0.00 H new ATOM 895 N LEU A 88 -4.776 -4.107 2.525 1.00 0.00 N ATOM 896 CA LEU A 88 -3.470 -4.700 2.290 1.00 0.00 C ATOM 897 C LEU A 88 -3.173 -5.729 3.367 1.00 0.00 C ATOM 898 O LEU A 88 -2.728 -6.832 3.064 1.00 0.00 O ATOM 899 CB LEU A 88 -2.357 -3.655 2.135 1.00 0.00 C ATOM 900 CG LEU A 88 -1.635 -3.822 0.789 1.00 0.00 C ATOM 901 CD1 LEU A 88 -0.789 -5.086 0.704 1.00 0.00 C ATOM 902 CD2 LEU A 88 -2.515 -3.658 -0.421 1.00 0.00 C ATOM 0 H LEU A 88 -4.738 -3.230 3.044 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.498 -5.214 1.329 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -2.781 -2.653 2.204 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.642 -3.755 2.951 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.946 -2.977 0.767 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.309 -5.138 -0.273 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.026 -5.066 1.482 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.426 -5.960 0.842 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.920 -3.793 -1.324 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -3.311 -4.403 -0.396 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -2.952 -2.660 -0.420 1.00 0.00 H new ATOM 914 N ALA A 89 -3.468 -5.409 4.624 1.00 0.00 N ATOM 915 CA ALA A 89 -3.358 -6.373 5.698 1.00 0.00 C ATOM 916 C ALA A 89 -4.174 -7.618 5.389 1.00 0.00 C ATOM 917 O ALA A 89 -3.676 -8.717 5.575 1.00 0.00 O ATOM 918 CB ALA A 89 -3.745 -5.749 7.029 1.00 0.00 C ATOM 0 H ALA A 89 -3.785 -4.485 4.917 1.00 0.00 H new ATOM 0 HA ALA A 89 -2.316 -6.682 5.782 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -3.654 -6.493 7.820 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -3.084 -4.909 7.243 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -4.775 -5.396 6.980 1.00 0.00 H new ATOM 924 N GLU A 90 -5.395 -7.485 4.870 1.00 0.00 N ATOM 925 CA GLU A 90 -6.210 -8.651 4.559 1.00 0.00 C ATOM 926 C GLU A 90 -5.711 -9.392 3.309 1.00 0.00 C ATOM 927 O GLU A 90 -6.193 -10.482 3.012 1.00 0.00 O ATOM 928 CB GLU A 90 -7.691 -8.243 4.499 1.00 0.00 C ATOM 929 CG GLU A 90 -8.106 -7.543 3.198 1.00 0.00 C ATOM 930 CD GLU A 90 -8.541 -8.496 2.087 1.00 0.00 C ATOM 931 OE1 GLU A 90 -9.522 -9.230 2.315 1.00 0.00 O ATOM 932 OE2 GLU A 90 -7.902 -8.468 1.008 1.00 0.00 O ATOM 0 H GLU A 90 -5.835 -6.589 4.659 1.00 0.00 H new ATOM 0 HA GLU A 90 -6.111 -9.383 5.360 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -8.306 -9.134 4.630 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.907 -7.581 5.338 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -8.924 -6.856 3.413 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -7.271 -6.942 2.839 1.00 0.00 H new ATOM 939 N LYS A 91 -4.708 -8.860 2.598 1.00 0.00 N ATOM 940 CA LYS A 91 -4.370 -9.252 1.235 1.00 0.00 C ATOM 941 C LYS A 91 -3.737 -10.647 1.076 1.00 0.00 C ATOM 942 O LYS A 91 -3.152 -10.951 0.036 1.00 0.00 O ATOM 943 CB LYS A 91 -3.543 -8.155 0.549 1.00 0.00 C ATOM 944 CG LYS A 91 -3.638 -8.071 -0.981 1.00 0.00 C ATOM 945 CD LYS A 91 -5.100 -7.948 -1.425 1.00 0.00 C ATOM 946 CE LYS A 91 -5.724 -9.338 -1.633 1.00 0.00 C ATOM 947 NZ LYS A 91 -7.181 -9.303 -1.374 1.00 0.00 N ATOM 0 H LYS A 91 -4.099 -8.130 2.968 1.00 0.00 H new ATOM 0 HA LYS A 91 -5.326 -9.355 0.722 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -3.846 -7.193 0.962 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -2.497 -8.301 0.817 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -3.070 -7.212 -1.339 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -3.190 -8.959 -1.428 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -5.668 -7.398 -0.675 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -5.157 -7.376 -2.351 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -5.539 -9.676 -2.653 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -5.249 -10.059 -0.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -7.532 -10.272 -1.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -7.368 -8.741 -0.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -7.668 -8.871 -2.185 1.00 0.00 H new ATOM 961 N LYS A 92 -3.689 -11.409 2.157 1.00 0.00 N ATOM 962 CA LYS A 92 -2.468 -11.989 2.665 1.00 0.00 C ATOM 963 C LYS A 92 -2.540 -13.515 2.723 1.00 0.00 C ATOM 964 O LYS A 92 -3.632 -14.027 3.057 1.00 0.00 O ATOM 965 CB LYS A 92 -2.266 -11.330 4.023 1.00 0.00 C ATOM 966 CG LYS A 92 -3.203 -11.811 5.153 1.00 0.00 C ATOM 967 CD LYS A 92 -2.733 -11.255 6.510 1.00 0.00 C ATOM 968 CE LYS A 92 -3.884 -10.850 7.449 1.00 0.00 C ATOM 969 NZ LYS A 92 -4.361 -11.964 8.285 1.00 0.00 N ATOM 970 OXT LYS A 92 -1.490 -14.142 2.460 1.00 0.00 O ATOM 0 H LYS A 92 -4.513 -11.642 2.711 1.00 0.00 H new ATOM 0 HA LYS A 92 -1.613 -11.805 2.015 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -1.235 -11.497 4.336 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -2.393 -10.254 3.905 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -4.223 -11.484 4.952 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -3.217 -12.900 5.184 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -2.119 -12.006 7.007 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -2.097 -10.387 6.336 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -3.551 -10.036 8.093 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -4.714 -10.468 6.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -5.135 -11.633 8.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -4.706 -12.733 7.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -3.580 -12.314 8.875 1.00 0.00 H new