USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=12 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= 0.671 K(o=0.67,f=-0.086) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 172:sc= 0.193 (180deg=0.177) USER MOD Single : A 32 CYS SG : rot -160:sc= -4.85! USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot 180:sc= -0.174 USER MOD Single : A 36 HIS : no HE2:sc= 0.423 K(o=0.42,f=-3.8!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.122 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -171:sc= 0.0459 (180deg=-0.326) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) 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= -0.144 X(o=-0.14,f=-0.36) USER MOD Single : A 68 GLN : amide:sc= 0.677 K(o=0.68,f=-7.3!) USER MOD Single : A 71 MET CE :methyl 175:sc= -0.0678 (180deg=-0.103) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 145:sc= -0.257 (180deg=-2.28!) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 19 N ASP A 23 -12.206 3.347 -1.970 1.00 0.00 N ATOM 20 CA ASP A 23 -12.174 1.992 -2.462 1.00 0.00 C ATOM 21 C ASP A 23 -10.720 1.540 -2.475 1.00 0.00 C ATOM 22 O ASP A 23 -9.932 1.915 -3.343 1.00 0.00 O ATOM 23 CB ASP A 23 -12.814 1.987 -3.856 1.00 0.00 C ATOM 24 CG ASP A 23 -14.247 2.508 -3.825 1.00 0.00 C ATOM 25 OD1 ASP A 23 -14.413 3.645 -3.318 1.00 0.00 O ATOM 26 OD2 ASP A 23 -15.138 1.766 -4.283 1.00 0.00 O ATOM 0 HA ASP A 23 -12.734 1.297 -1.836 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.219 2.602 -4.531 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -12.805 0.973 -4.256 1.00 0.00 H new ATOM 31 N ALA A 24 -10.367 0.781 -1.438 1.00 0.00 N ATOM 32 CA ALA A 24 -8.998 0.447 -1.106 1.00 0.00 C ATOM 33 C ALA A 24 -8.249 -0.101 -2.311 1.00 0.00 C ATOM 34 O ALA A 24 -7.172 0.380 -2.660 1.00 0.00 O ATOM 35 CB ALA A 24 -8.983 -0.577 0.018 1.00 0.00 C ATOM 0 H ALA A 24 -11.047 0.376 -0.795 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.495 1.359 -0.785 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.952 -0.828 0.268 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.478 -0.161 0.896 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -9.508 -1.477 -0.302 1.00 0.00 H new ATOM 41 N GLU A 25 -8.829 -1.113 -2.958 1.00 0.00 N ATOM 42 CA GLU A 25 -8.188 -1.670 -4.124 1.00 0.00 C ATOM 43 C GLU A 25 -8.063 -0.592 -5.196 1.00 0.00 C ATOM 44 O GLU A 25 -6.987 -0.451 -5.742 1.00 0.00 O ATOM 45 CB GLU A 25 -8.848 -2.972 -4.587 1.00 0.00 C ATOM 46 CG GLU A 25 -9.973 -2.754 -5.590 1.00 0.00 C ATOM 47 CD GLU A 25 -10.668 -4.067 -5.928 1.00 0.00 C ATOM 48 OE1 GLU A 25 -11.084 -4.742 -4.962 1.00 0.00 O ATOM 49 OE2 GLU A 25 -10.754 -4.368 -7.136 1.00 0.00 O ATOM 0 H GLU A 25 -9.715 -1.545 -2.696 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.174 -1.980 -3.872 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.091 -3.616 -5.035 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.242 -3.500 -3.719 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.698 -2.050 -5.181 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.572 -2.306 -6.499 1.00 0.00 H new ATOM 56 N ALA A 26 -9.101 0.211 -5.465 1.00 0.00 N ATOM 57 CA ALA A 26 -9.044 1.252 -6.491 1.00 0.00 C ATOM 58 C ALA A 26 -7.830 2.157 -6.281 1.00 0.00 C ATOM 59 O ALA A 26 -7.033 2.334 -7.200 1.00 0.00 O ATOM 60 CB ALA A 26 -10.332 2.073 -6.537 1.00 0.00 C ATOM 0 H ALA A 26 -9.996 0.156 -4.980 1.00 0.00 H new ATOM 0 HA ALA A 26 -8.939 0.754 -7.455 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -10.250 2.836 -7.312 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.174 1.417 -6.761 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.493 2.553 -5.571 1.00 0.00 H new ATOM 66 N VAL A 27 -7.661 2.681 -5.060 1.00 0.00 N ATOM 67 CA VAL A 27 -6.437 3.371 -4.650 1.00 0.00 C ATOM 68 C VAL A 27 -5.249 2.517 -5.074 1.00 0.00 C ATOM 69 O VAL A 27 -4.475 2.938 -5.928 1.00 0.00 O ATOM 70 CB VAL A 27 -6.465 3.654 -3.131 1.00 0.00 C ATOM 71 CG1 VAL A 27 -5.184 4.323 -2.614 1.00 0.00 C ATOM 72 CG2 VAL A 27 -7.648 4.555 -2.752 1.00 0.00 C ATOM 0 H VAL A 27 -8.372 2.637 -4.330 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.352 4.343 -5.136 1.00 0.00 H new ATOM 0 HB VAL A 27 -6.561 2.673 -2.665 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -5.270 4.493 -1.541 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -4.330 3.675 -2.811 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.041 5.276 -3.122 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -7.639 4.735 -1.677 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -7.565 5.505 -3.279 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -8.582 4.066 -3.030 1.00 0.00 H new ATOM 82 N VAL A 28 -5.088 1.300 -4.562 1.00 0.00 N ATOM 83 CA VAL A 28 -3.866 0.571 -4.835 1.00 0.00 C ATOM 84 C VAL A 28 -3.834 -0.055 -6.238 1.00 0.00 C ATOM 85 O VAL A 28 -2.875 -0.732 -6.587 1.00 0.00 O ATOM 86 CB VAL A 28 -3.670 -0.417 -3.703 1.00 0.00 C ATOM 87 CG1 VAL A 28 -2.343 -1.176 -3.807 1.00 0.00 C ATOM 88 CG2 VAL A 28 -3.779 0.262 -2.331 1.00 0.00 C ATOM 0 H VAL A 28 -5.767 0.815 -3.975 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.016 1.253 -4.863 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.477 -1.143 -3.799 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.254 -1.870 -2.971 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.314 -1.731 -4.744 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.515 -0.467 -3.779 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.633 -0.479 -1.545 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.016 1.036 -2.246 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.766 0.713 -2.225 1.00 0.00 H new ATOM 98 N GLN A 29 -4.866 0.168 -7.047 1.00 0.00 N ATOM 99 CA GLN A 29 -4.977 -0.171 -8.452 1.00 0.00 C ATOM 100 C GLN A 29 -4.733 1.076 -9.316 1.00 0.00 C ATOM 101 O GLN A 29 -4.781 0.979 -10.538 1.00 0.00 O ATOM 102 CB GLN A 29 -6.343 -0.841 -8.697 1.00 0.00 C ATOM 103 CG GLN A 29 -6.414 -2.264 -8.118 1.00 0.00 C ATOM 104 CD GLN A 29 -5.583 -3.257 -8.924 1.00 0.00 C ATOM 105 OE1 GLN A 29 -6.080 -3.872 -9.861 1.00 0.00 O ATOM 106 NE2 GLN A 29 -4.312 -3.415 -8.566 1.00 0.00 N ATOM 0 H GLN A 29 -5.710 0.627 -6.704 1.00 0.00 H new ATOM 0 HA GLN A 29 -4.211 -0.889 -8.744 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -7.128 -0.231 -8.251 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -6.539 -0.878 -9.769 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -6.063 -2.252 -7.086 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -7.452 -2.595 -8.097 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.934 -2.885 -7.781 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -3.715 -4.066 -9.077 1.00 0.00 H new ATOM 115 N GLN A 30 -4.448 2.239 -8.706 1.00 0.00 N ATOM 116 CA GLN A 30 -4.142 3.467 -9.441 1.00 0.00 C ATOM 117 C GLN A 30 -3.051 4.351 -8.815 1.00 0.00 C ATOM 118 O GLN A 30 -2.556 5.261 -9.475 1.00 0.00 O ATOM 119 CB GLN A 30 -5.446 4.249 -9.674 1.00 0.00 C ATOM 120 CG GLN A 30 -5.633 4.482 -11.182 1.00 0.00 C ATOM 121 CD GLN A 30 -7.043 4.931 -11.542 1.00 0.00 C ATOM 122 OE1 GLN A 30 -7.693 4.336 -12.394 1.00 0.00 O ATOM 123 NE2 GLN A 30 -7.537 5.990 -10.908 1.00 0.00 N ATOM 0 H GLN A 30 -4.425 2.349 -7.692 1.00 0.00 H new ATOM 0 HA GLN A 30 -3.706 3.160 -10.392 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -6.294 3.694 -9.272 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -5.411 5.203 -9.148 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -4.920 5.235 -11.519 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -5.402 3.561 -11.718 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.977 6.469 -10.203 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -8.476 6.323 -11.127 1.00 0.00 H new ATOM 132 N LYS A 31 -2.674 4.110 -7.559 1.00 0.00 N ATOM 133 CA LYS A 31 -1.727 4.905 -6.796 1.00 0.00 C ATOM 134 C LYS A 31 -0.411 4.142 -6.660 1.00 0.00 C ATOM 135 O LYS A 31 0.650 4.646 -7.022 1.00 0.00 O ATOM 136 CB LYS A 31 -2.361 5.214 -5.429 1.00 0.00 C ATOM 137 CG LYS A 31 -3.400 6.339 -5.511 1.00 0.00 C ATOM 138 CD LYS A 31 -2.700 7.703 -5.582 1.00 0.00 C ATOM 139 CE LYS A 31 -3.690 8.840 -5.334 1.00 0.00 C ATOM 140 NZ LYS A 31 -3.005 10.142 -5.231 1.00 0.00 N ATOM 0 H LYS A 31 -3.039 3.320 -7.028 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.502 5.845 -7.299 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.834 4.313 -5.038 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.579 5.495 -4.723 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.030 6.199 -6.390 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.055 6.303 -4.641 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -1.900 7.744 -4.842 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.236 7.827 -6.560 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.417 8.874 -6.145 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.245 8.646 -4.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.712 10.904 -5.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.431 10.165 -4.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.388 10.276 -6.058 1.00 0.00 H new ATOM 154 N CYS A 32 -0.477 2.923 -6.125 1.00 0.00 N ATOM 155 CA CYS A 32 0.710 2.160 -5.771 1.00 0.00 C ATOM 156 C CYS A 32 1.275 1.447 -6.993 1.00 0.00 C ATOM 157 O CYS A 32 2.494 1.375 -7.155 1.00 0.00 O ATOM 158 CB CYS A 32 0.390 1.163 -4.661 1.00 0.00 C ATOM 159 SG CYS A 32 -0.822 1.812 -3.462 1.00 0.00 S ATOM 0 H CYS A 32 -1.354 2.442 -5.927 1.00 0.00 H new ATOM 0 HA CYS A 32 1.468 2.851 -5.403 1.00 0.00 H new ATOM 0 HB2 CYS A 32 0.002 0.245 -5.103 1.00 0.00 H new ATOM 0 HB3 CYS A 32 1.309 0.901 -4.137 1.00 0.00 H new ATOM 0 HG CYS A 32 -0.742 1.136 -2.355 1.00 0.00 H new ATOM 164 N ILE A 33 0.384 0.955 -7.868 1.00 0.00 N ATOM 165 CA ILE A 33 0.762 0.281 -9.105 1.00 0.00 C ATOM 166 C ILE A 33 1.804 1.081 -9.874 1.00 0.00 C ATOM 167 O ILE A 33 2.669 0.496 -10.523 1.00 0.00 O ATOM 168 CB ILE A 33 -0.443 -0.041 -10.009 1.00 0.00 C ATOM 169 CG1 ILE A 33 -1.086 1.174 -10.708 1.00 0.00 C ATOM 170 CG2 ILE A 33 -1.506 -0.790 -9.212 1.00 0.00 C ATOM 171 CD1 ILE A 33 -1.964 0.736 -11.885 1.00 0.00 C ATOM 0 H ILE A 33 -0.625 1.018 -7.729 1.00 0.00 H new ATOM 0 HA ILE A 33 1.199 -0.672 -8.806 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.038 -0.659 -10.810 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.687 1.733 -9.991 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.306 1.847 -11.064 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.355 -1.014 -9.858 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.086 -1.720 -8.829 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.838 -0.172 -8.378 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.404 1.614 -12.358 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.356 0.199 -12.612 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.758 0.083 -11.523 1.00 0.00 H new ATOM 183 N SER A 34 1.717 2.413 -9.762 1.00 0.00 N ATOM 184 CA SER A 34 2.625 3.371 -10.362 1.00 0.00 C ATOM 185 C SER A 34 4.092 2.967 -10.175 1.00 0.00 C ATOM 186 O SER A 34 4.911 3.331 -11.016 1.00 0.00 O ATOM 187 CB SER A 34 2.351 4.768 -9.788 1.00 0.00 C ATOM 188 OG SER A 34 2.883 5.765 -10.640 1.00 0.00 O ATOM 0 H SER A 34 0.975 2.861 -9.225 1.00 0.00 H new ATOM 0 HA SER A 34 2.445 3.388 -11.437 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.277 4.916 -9.671 1.00 0.00 H new ATOM 0 HB3 SER A 34 2.795 4.854 -8.796 1.00 0.00 H new ATOM 0 HG SER A 34 2.699 6.650 -10.262 1.00 0.00 H new ATOM 194 N CYS A 35 4.422 2.253 -9.086 1.00 0.00 N ATOM 195 CA CYS A 35 5.744 1.671 -8.876 1.00 0.00 C ATOM 196 C CYS A 35 5.650 0.174 -8.562 1.00 0.00 C ATOM 197 O CYS A 35 6.412 -0.618 -9.106 1.00 0.00 O ATOM 198 CB CYS A 35 6.522 2.437 -7.795 1.00 0.00 C ATOM 199 SG CYS A 35 6.238 4.222 -7.980 1.00 0.00 S ATOM 0 H CYS A 35 3.769 2.066 -8.325 1.00 0.00 H new ATOM 0 HA CYS A 35 6.304 1.768 -9.806 1.00 0.00 H new ATOM 0 HB2 CYS A 35 6.205 2.110 -6.805 1.00 0.00 H new ATOM 0 HB3 CYS A 35 7.587 2.219 -7.877 1.00 0.00 H new ATOM 0 HG CYS A 35 6.897 4.864 -7.061 1.00 0.00 H new ATOM 204 N HIS A 36 4.725 -0.239 -7.693 1.00 0.00 N ATOM 205 CA HIS A 36 4.614 -1.631 -7.273 1.00 0.00 C ATOM 206 C HIS A 36 4.061 -2.555 -8.371 1.00 0.00 C ATOM 207 O HIS A 36 4.211 -3.774 -8.269 1.00 0.00 O ATOM 208 CB HIS A 36 3.809 -1.709 -5.970 1.00 0.00 C ATOM 209 CG HIS A 36 4.550 -1.135 -4.784 1.00 0.00 C ATOM 210 ND1 HIS A 36 5.483 -1.805 -4.020 1.00 0.00 N ATOM 211 CD2 HIS A 36 4.400 0.121 -4.248 1.00 0.00 C ATOM 212 CE1 HIS A 36 5.867 -0.970 -3.039 1.00 0.00 C ATOM 213 NE2 HIS A 36 5.245 0.216 -3.135 1.00 0.00 N ATOM 0 H HIS A 36 4.037 0.381 -7.265 1.00 0.00 H new ATOM 0 HA HIS A 36 5.619 -2.008 -7.084 1.00 0.00 H new ATOM 0 HB2 HIS A 36 2.868 -1.174 -6.098 1.00 0.00 H new ATOM 0 HB3 HIS A 36 3.558 -2.750 -5.766 1.00 0.00 H new ATOM 0 HD1 HIS A 36 5.819 -2.756 -4.171 1.00 0.00 H new ATOM 0 HD2 HIS A 36 3.747 0.897 -4.619 1.00 0.00 H new ATOM 0 HE1 HIS A 36 6.584 -1.221 -2.272 1.00 0.00 H new ATOM 221 N GLY A 37 3.473 -1.999 -9.438 1.00 0.00 N ATOM 222 CA GLY A 37 2.936 -2.762 -10.557 1.00 0.00 C ATOM 223 C GLY A 37 1.485 -3.176 -10.310 1.00 0.00 C ATOM 224 O GLY A 37 1.053 -3.284 -9.164 1.00 0.00 O ATOM 0 H GLY A 37 3.358 -0.991 -9.544 1.00 0.00 H new ATOM 0 HA2 GLY A 37 2.995 -2.165 -11.467 1.00 0.00 H new ATOM 0 HA3 GLY A 37 3.546 -3.651 -10.719 1.00 0.00 H new ATOM 228 N GLY A 38 0.731 -3.404 -11.393 1.00 0.00 N ATOM 229 CA GLY A 38 -0.695 -3.724 -11.375 1.00 0.00 C ATOM 230 C GLY A 38 -1.067 -4.766 -10.320 1.00 0.00 C ATOM 231 O GLY A 38 -1.994 -4.563 -9.536 1.00 0.00 O ATOM 0 H GLY A 38 1.114 -3.369 -12.338 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -1.263 -2.812 -11.191 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.991 -4.091 -12.358 1.00 0.00 H new ATOM 235 N ASP A 39 -0.329 -5.877 -10.306 1.00 0.00 N ATOM 236 CA ASP A 39 -0.587 -7.011 -9.426 1.00 0.00 C ATOM 237 C ASP A 39 0.041 -6.813 -8.040 1.00 0.00 C ATOM 238 O ASP A 39 -0.202 -7.614 -7.136 1.00 0.00 O ATOM 239 CB ASP A 39 -0.052 -8.290 -10.084 1.00 0.00 C ATOM 240 CG ASP A 39 -0.707 -8.611 -11.425 1.00 0.00 C ATOM 241 OD1 ASP A 39 -1.880 -8.224 -11.605 1.00 0.00 O ATOM 242 OD2 ASP A 39 -0.008 -9.235 -12.251 1.00 0.00 O ATOM 0 H ASP A 39 0.477 -6.013 -10.916 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.664 -7.095 -9.278 1.00 0.00 H new ATOM 0 HB2 ASP A 39 1.024 -8.190 -10.230 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.205 -9.129 -9.405 1.00 0.00 H new ATOM 247 N LEU A 40 0.860 -5.763 -7.869 1.00 0.00 N ATOM 248 CA LEU A 40 1.536 -5.403 -6.622 1.00 0.00 C ATOM 249 C LEU A 40 2.631 -6.417 -6.273 1.00 0.00 C ATOM 250 O LEU A 40 3.092 -6.501 -5.131 1.00 0.00 O ATOM 251 CB LEU A 40 0.509 -5.164 -5.505 1.00 0.00 C ATOM 252 CG LEU A 40 -0.553 -4.145 -5.966 1.00 0.00 C ATOM 253 CD1 LEU A 40 -1.920 -4.484 -5.370 1.00 0.00 C ATOM 254 CD2 LEU A 40 -0.096 -2.727 -5.625 1.00 0.00 C ATOM 0 H LEU A 40 1.075 -5.118 -8.630 1.00 0.00 H new ATOM 0 HA LEU A 40 2.060 -4.456 -6.751 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.028 -6.105 -5.236 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.012 -4.796 -4.611 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.664 -4.199 -7.049 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.655 -3.753 -5.707 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.222 -5.480 -5.695 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.858 -4.461 -4.282 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.851 -2.013 -5.953 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.043 -2.639 -4.547 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.847 -2.517 -6.131 1.00 0.00 H new ATOM 266 N THR A 41 3.077 -7.134 -7.310 1.00 0.00 N ATOM 267 CA THR A 41 4.137 -8.117 -7.328 1.00 0.00 C ATOM 268 C THR A 41 5.515 -7.453 -7.332 1.00 0.00 C ATOM 269 O THR A 41 6.516 -8.148 -7.195 1.00 0.00 O ATOM 270 CB THR A 41 3.934 -8.939 -8.608 1.00 0.00 C ATOM 271 OG1 THR A 41 3.633 -8.048 -9.671 1.00 0.00 O ATOM 272 CG2 THR A 41 2.756 -9.905 -8.451 1.00 0.00 C ATOM 0 H THR A 41 2.661 -7.022 -8.234 1.00 0.00 H new ATOM 0 HA THR A 41 4.099 -8.743 -6.436 1.00 0.00 H new ATOM 0 HB THR A 41 4.842 -9.508 -8.809 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.502 -8.558 -10.498 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.630 -10.478 -9.370 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.952 -10.586 -7.623 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.846 -9.340 -8.248 1.00 0.00 H new ATOM 280 N GLY A 42 5.580 -6.124 -7.488 1.00 0.00 N ATOM 281 CA GLY A 42 6.803 -5.371 -7.292 1.00 0.00 C ATOM 282 C GLY A 42 7.539 -5.138 -8.607 1.00 0.00 C ATOM 283 O GLY A 42 8.411 -5.922 -8.974 1.00 0.00 O ATOM 0 H GLY A 42 4.780 -5.550 -7.754 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.570 -4.411 -6.831 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.454 -5.907 -6.601 1.00 0.00 H new ATOM 287 N ALA A 43 7.188 -4.061 -9.318 1.00 0.00 N ATOM 288 CA ALA A 43 7.870 -3.667 -10.547 1.00 0.00 C ATOM 289 C ALA A 43 9.075 -2.769 -10.230 1.00 0.00 C ATOM 290 O ALA A 43 10.207 -3.239 -10.184 1.00 0.00 O ATOM 291 CB ALA A 43 6.863 -3.023 -11.509 1.00 0.00 C ATOM 0 H ALA A 43 6.423 -3.441 -9.054 1.00 0.00 H new ATOM 0 HA ALA A 43 8.275 -4.545 -11.051 1.00 0.00 H new ATOM 0 HB1 ALA A 43 7.373 -2.729 -12.426 1.00 0.00 H new ATOM 0 HB2 ALA A 43 6.076 -3.739 -11.745 1.00 0.00 H new ATOM 0 HB3 ALA A 43 6.424 -2.143 -11.040 1.00 0.00 H new ATOM 297 N SER A 44 8.837 -1.476 -10.002 1.00 0.00 N ATOM 298 CA SER A 44 9.847 -0.480 -9.640 1.00 0.00 C ATOM 299 C SER A 44 10.023 -0.361 -8.121 1.00 0.00 C ATOM 300 O SER A 44 10.763 0.499 -7.652 1.00 0.00 O ATOM 301 CB SER A 44 9.452 0.875 -10.233 1.00 0.00 C ATOM 302 OG SER A 44 9.292 0.771 -11.635 1.00 0.00 O ATOM 0 H SER A 44 7.900 -1.079 -10.067 1.00 0.00 H new ATOM 0 HA SER A 44 10.804 -0.804 -10.049 1.00 0.00 H new ATOM 0 HB2 SER A 44 8.523 1.221 -9.779 1.00 0.00 H new ATOM 0 HB3 SER A 44 10.216 1.617 -10.002 1.00 0.00 H new ATOM 0 HG SER A 44 9.038 1.644 -12.001 1.00 0.00 H new ATOM 308 N ALA A 45 9.297 -1.174 -7.356 1.00 0.00 N ATOM 309 CA ALA A 45 9.274 -1.209 -5.904 1.00 0.00 C ATOM 310 C ALA A 45 9.111 -2.686 -5.539 1.00 0.00 C ATOM 311 O ALA A 45 8.731 -3.458 -6.418 1.00 0.00 O ATOM 312 CB ALA A 45 8.092 -0.352 -5.452 1.00 0.00 C ATOM 0 H ALA A 45 8.671 -1.868 -7.765 1.00 0.00 H new ATOM 0 HA ALA A 45 10.169 -0.815 -5.422 1.00 0.00 H new ATOM 0 HB1 ALA A 45 8.038 -0.351 -4.363 1.00 0.00 H new ATOM 0 HB2 ALA A 45 8.225 0.669 -5.809 1.00 0.00 H new ATOM 0 HB3 ALA A 45 7.168 -0.762 -5.861 1.00 0.00 H new ATOM 318 N PRO A 46 9.412 -3.121 -4.306 1.00 0.00 N ATOM 319 CA PRO A 46 9.308 -4.526 -3.942 1.00 0.00 C ATOM 320 C PRO A 46 7.856 -5.008 -3.981 1.00 0.00 C ATOM 321 O PRO A 46 6.915 -4.212 -4.047 1.00 0.00 O ATOM 322 CB PRO A 46 9.919 -4.642 -2.541 1.00 0.00 C ATOM 323 CG PRO A 46 9.744 -3.239 -1.967 1.00 0.00 C ATOM 324 CD PRO A 46 9.918 -2.341 -3.192 1.00 0.00 C ATOM 0 HA PRO A 46 9.839 -5.163 -4.650 1.00 0.00 H new ATOM 0 HB2 PRO A 46 9.405 -5.391 -1.938 1.00 0.00 H new ATOM 0 HB3 PRO A 46 10.969 -4.932 -2.582 1.00 0.00 H new ATOM 0 HG2 PRO A 46 8.764 -3.110 -1.508 1.00 0.00 H new ATOM 0 HG3 PRO A 46 10.486 -3.022 -1.199 1.00 0.00 H new ATOM 0 HD2 PRO A 46 9.364 -1.409 -3.080 1.00 0.00 H new ATOM 0 HD3 PRO A 46 10.964 -2.074 -3.340 1.00 0.00 H new ATOM 332 N ALA A 47 7.689 -6.332 -3.948 1.00 0.00 N ATOM 333 CA ALA A 47 6.388 -6.976 -3.923 1.00 0.00 C ATOM 334 C ALA A 47 5.694 -6.615 -2.617 1.00 0.00 C ATOM 335 O ALA A 47 6.218 -6.942 -1.551 1.00 0.00 O ATOM 336 CB ALA A 47 6.564 -8.494 -4.037 1.00 0.00 C ATOM 0 H ALA A 47 8.469 -6.990 -3.938 1.00 0.00 H new ATOM 0 HA ALA A 47 5.780 -6.637 -4.762 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.587 -8.976 -4.018 1.00 0.00 H new ATOM 0 HB2 ALA A 47 7.068 -8.733 -4.973 1.00 0.00 H new ATOM 0 HB3 ALA A 47 7.163 -8.855 -3.201 1.00 0.00 H new ATOM 342 N ILE A 48 4.551 -5.926 -2.688 1.00 0.00 N ATOM 343 CA ILE A 48 3.778 -5.601 -1.495 1.00 0.00 C ATOM 344 C ILE A 48 2.442 -6.332 -1.462 1.00 0.00 C ATOM 345 O ILE A 48 1.774 -6.286 -0.439 1.00 0.00 O ATOM 346 CB ILE A 48 3.722 -4.086 -1.198 1.00 0.00 C ATOM 347 CG1 ILE A 48 3.025 -3.213 -2.249 1.00 0.00 C ATOM 348 CG2 ILE A 48 5.150 -3.571 -0.991 1.00 0.00 C ATOM 349 CD1 ILE A 48 1.506 -3.183 -2.062 1.00 0.00 C ATOM 0 H ILE A 48 4.145 -5.585 -3.559 1.00 0.00 H new ATOM 0 HA ILE A 48 4.322 -5.996 -0.637 1.00 0.00 H new ATOM 0 HB ILE A 48 3.104 -3.995 -0.305 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.416 -2.197 -2.192 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.259 -3.590 -3.245 1.00 0.00 H new ATOM 0 HG21 ILE A 48 5.124 -2.502 -0.780 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.608 -4.095 -0.152 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.735 -3.749 -1.893 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.057 -2.552 -2.829 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.109 -4.195 -2.146 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.269 -2.781 -1.077 1.00 0.00 H new ATOM 361 N ASP A 49 2.085 -7.101 -2.492 1.00 0.00 N ATOM 362 CA ASP A 49 1.019 -8.097 -2.407 1.00 0.00 C ATOM 363 C ASP A 49 0.988 -8.838 -1.055 1.00 0.00 C ATOM 364 O ASP A 49 -0.071 -8.978 -0.449 1.00 0.00 O ATOM 365 CB ASP A 49 1.143 -9.094 -3.571 1.00 0.00 C ATOM 366 CG ASP A 49 2.373 -9.989 -3.476 1.00 0.00 C ATOM 367 OD1 ASP A 49 3.396 -9.517 -2.930 1.00 0.00 O ATOM 368 OD2 ASP A 49 2.240 -11.157 -3.897 1.00 0.00 O ATOM 0 H ASP A 49 2.528 -7.050 -3.409 1.00 0.00 H new ATOM 0 HA ASP A 49 0.073 -7.561 -2.481 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.250 -9.719 -3.601 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.177 -8.542 -4.510 1.00 0.00 H new ATOM 373 N LYS A 50 2.151 -9.290 -0.583 1.00 0.00 N ATOM 374 CA LYS A 50 2.341 -10.058 0.646 1.00 0.00 C ATOM 375 C LYS A 50 2.785 -9.176 1.813 1.00 0.00 C ATOM 376 O LYS A 50 3.082 -9.680 2.900 1.00 0.00 O ATOM 377 CB LYS A 50 3.277 -11.251 0.404 1.00 0.00 C ATOM 378 CG LYS A 50 2.663 -12.319 -0.517 1.00 0.00 C ATOM 379 CD LYS A 50 1.328 -12.861 0.025 1.00 0.00 C ATOM 380 CE LYS A 50 0.874 -14.136 -0.696 1.00 0.00 C ATOM 381 NZ LYS A 50 -0.440 -14.596 -0.194 1.00 0.00 N ATOM 0 H LYS A 50 3.029 -9.121 -1.073 1.00 0.00 H new ATOM 0 HA LYS A 50 1.374 -10.467 0.941 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.208 -10.892 -0.035 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.531 -11.707 1.361 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.504 -11.893 -1.508 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.367 -13.143 -0.633 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.429 -13.067 1.091 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.560 -12.095 -0.080 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.811 -13.948 -1.768 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.616 -14.922 -0.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -0.652 -15.536 -0.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.415 -14.651 0.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.178 -13.925 -0.487 1.00 0.00 H new ATOM 395 N ALA A 51 2.847 -7.860 1.613 1.00 0.00 N ATOM 396 CA ALA A 51 3.096 -6.929 2.696 1.00 0.00 C ATOM 397 C ALA A 51 2.114 -7.154 3.838 1.00 0.00 C ATOM 398 O ALA A 51 2.535 -7.108 4.981 1.00 0.00 O ATOM 399 CB ALA A 51 3.040 -5.492 2.196 1.00 0.00 C ATOM 0 H ALA A 51 2.726 -7.419 0.701 1.00 0.00 H new ATOM 0 HA ALA A 51 4.100 -7.110 3.079 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.230 -4.811 3.025 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.797 -5.345 1.425 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.053 -5.290 1.779 1.00 0.00 H new ATOM 405 N GLY A 52 0.837 -7.454 3.564 1.00 0.00 N ATOM 406 CA GLY A 52 -0.094 -7.803 4.626 1.00 0.00 C ATOM 407 C GLY A 52 0.324 -9.045 5.420 1.00 0.00 C ATOM 408 O GLY A 52 -0.070 -9.208 6.573 1.00 0.00 O ATOM 0 H GLY A 52 0.436 -7.460 2.626 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.187 -6.959 5.309 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.080 -7.973 4.193 1.00 0.00 H new ATOM 412 N ALA A 53 1.075 -9.959 4.796 1.00 0.00 N ATOM 413 CA ALA A 53 1.578 -11.151 5.462 1.00 0.00 C ATOM 414 C ALA A 53 2.760 -10.781 6.357 1.00 0.00 C ATOM 415 O ALA A 53 2.824 -11.198 7.511 1.00 0.00 O ATOM 416 CB ALA A 53 1.982 -12.216 4.434 1.00 0.00 C ATOM 0 H ALA A 53 1.347 -9.887 3.816 1.00 0.00 H new ATOM 0 HA ALA A 53 0.787 -11.571 6.083 1.00 0.00 H new ATOM 0 HB1 ALA A 53 2.355 -13.099 4.953 1.00 0.00 H new ATOM 0 HB2 ALA A 53 1.115 -12.488 3.832 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.763 -11.818 3.786 1.00 0.00 H new ATOM 422 N ASN A 54 3.709 -10.018 5.805 1.00 0.00 N ATOM 423 CA ASN A 54 4.950 -9.678 6.499 1.00 0.00 C ATOM 424 C ASN A 54 4.718 -8.639 7.593 1.00 0.00 C ATOM 425 O ASN A 54 5.276 -8.746 8.682 1.00 0.00 O ATOM 426 CB ASN A 54 5.983 -9.125 5.506 1.00 0.00 C ATOM 427 CG ASN A 54 6.711 -10.232 4.757 1.00 0.00 C ATOM 428 OD1 ASN A 54 7.597 -10.879 5.305 1.00 0.00 O ATOM 429 ND2 ASN A 54 6.364 -10.458 3.494 1.00 0.00 N ATOM 0 H ASN A 54 3.637 -9.621 4.868 1.00 0.00 H new ATOM 0 HA ASN A 54 5.322 -10.594 6.958 1.00 0.00 H new ATOM 0 HB2 ASN A 54 5.483 -8.472 4.790 1.00 0.00 H new ATOM 0 HB3 ASN A 54 6.709 -8.513 6.042 1.00 0.00 H new ATOM 0 HD21 ASN A 54 6.838 -11.184 2.957 1.00 0.00 H new ATOM 0 HD22 ASN A 54 5.623 -9.905 3.062 1.00 0.00 H new ATOM 436 N TYR A 55 3.952 -7.602 7.264 1.00 0.00 N ATOM 437 CA TYR A 55 3.755 -6.397 8.048 1.00 0.00 C ATOM 438 C TYR A 55 2.265 -6.221 8.336 1.00 0.00 C ATOM 439 O TYR A 55 1.416 -6.747 7.620 1.00 0.00 O ATOM 440 CB TYR A 55 4.278 -5.190 7.256 1.00 0.00 C ATOM 441 CG TYR A 55 5.711 -5.255 6.759 1.00 0.00 C ATOM 442 CD1 TYR A 55 6.730 -5.783 7.577 1.00 0.00 C ATOM 443 CD2 TYR A 55 6.051 -4.639 5.539 1.00 0.00 C ATOM 444 CE1 TYR A 55 8.074 -5.694 7.179 1.00 0.00 C ATOM 445 CE2 TYR A 55 7.398 -4.542 5.147 1.00 0.00 C ATOM 446 CZ TYR A 55 8.410 -5.046 5.979 1.00 0.00 C ATOM 447 OH TYR A 55 9.716 -4.899 5.623 1.00 0.00 O ATOM 0 H TYR A 55 3.424 -7.584 6.392 1.00 0.00 H new ATOM 0 HA TYR A 55 4.297 -6.474 8.991 1.00 0.00 H new ATOM 0 HB2 TYR A 55 3.628 -5.044 6.394 1.00 0.00 H new ATOM 0 HB3 TYR A 55 4.178 -4.305 7.884 1.00 0.00 H new ATOM 0 HD1 TYR A 55 6.476 -6.258 8.513 1.00 0.00 H new ATOM 0 HD2 TYR A 55 5.275 -4.240 4.903 1.00 0.00 H new ATOM 0 HE1 TYR A 55 8.849 -6.124 7.796 1.00 0.00 H new ATOM 0 HE2 TYR A 55 7.654 -4.079 4.205 1.00 0.00 H new ATOM 0 HH TYR A 55 9.770 -4.430 4.764 1.00 0.00 H new ATOM 457 N SER A 56 1.945 -5.473 9.391 1.00 0.00 N ATOM 458 CA SER A 56 0.571 -5.233 9.798 1.00 0.00 C ATOM 459 C SER A 56 0.005 -3.997 9.098 1.00 0.00 C ATOM 460 O SER A 56 0.740 -3.196 8.514 1.00 0.00 O ATOM 461 CB SER A 56 0.530 -5.107 11.324 1.00 0.00 C ATOM 462 OG SER A 56 1.089 -6.277 11.892 1.00 0.00 O ATOM 0 H SER A 56 2.637 -5.017 9.986 1.00 0.00 H new ATOM 0 HA SER A 56 -0.062 -6.069 9.500 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.088 -4.227 11.645 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.497 -4.975 11.665 1.00 0.00 H new ATOM 0 HG SER A 56 1.070 -6.207 12.869 1.00 0.00 H new ATOM 468 N GLU A 57 -1.315 -3.830 9.184 1.00 0.00 N ATOM 469 CA GLU A 57 -2.021 -2.668 8.682 1.00 0.00 C ATOM 470 C GLU A 57 -1.340 -1.386 9.185 1.00 0.00 C ATOM 471 O GLU A 57 -1.081 -0.491 8.388 1.00 0.00 O ATOM 472 CB GLU A 57 -3.531 -2.758 8.996 1.00 0.00 C ATOM 473 CG GLU A 57 -3.903 -3.112 10.447 1.00 0.00 C ATOM 474 CD GLU A 57 -3.985 -4.616 10.694 1.00 0.00 C ATOM 475 OE1 GLU A 57 -2.900 -5.231 10.807 1.00 0.00 O ATOM 476 OE2 GLU A 57 -5.122 -5.128 10.736 1.00 0.00 O ATOM 0 H GLU A 57 -1.930 -4.519 9.616 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.963 -2.636 7.594 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -3.990 -1.801 8.748 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -3.974 -3.504 8.337 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.164 -2.679 11.121 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.863 -2.657 10.691 1.00 0.00 H new ATOM 483 N GLU A 58 -0.991 -1.310 10.474 1.00 0.00 N ATOM 484 CA GLU A 58 -0.308 -0.154 11.050 1.00 0.00 C ATOM 485 C GLU A 58 0.984 0.202 10.297 1.00 0.00 C ATOM 486 O GLU A 58 1.182 1.354 9.918 1.00 0.00 O ATOM 487 CB GLU A 58 -0.077 -0.352 12.557 1.00 0.00 C ATOM 488 CG GLU A 58 0.589 -1.682 12.950 1.00 0.00 C ATOM 489 CD GLU A 58 0.851 -1.769 14.451 1.00 0.00 C ATOM 490 OE1 GLU A 58 1.066 -0.702 15.063 1.00 0.00 O ATOM 491 OE2 GLU A 58 0.819 -2.910 14.959 1.00 0.00 O ATOM 0 H GLU A 58 -1.177 -2.054 11.147 1.00 0.00 H new ATOM 0 HA GLU A 58 -0.964 0.708 10.930 1.00 0.00 H new ATOM 0 HB2 GLU A 58 0.541 0.467 12.924 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.037 -0.280 13.068 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.049 -2.511 12.645 1.00 0.00 H new ATOM 0 HG3 GLU A 58 1.530 -1.789 12.411 1.00 0.00 H new ATOM 498 N GLU A 59 1.851 -0.781 10.052 1.00 0.00 N ATOM 499 CA GLU A 59 3.105 -0.583 9.335 1.00 0.00 C ATOM 500 C GLU A 59 2.821 -0.024 7.939 1.00 0.00 C ATOM 501 O GLU A 59 3.401 0.970 7.512 1.00 0.00 O ATOM 502 CB GLU A 59 3.826 -1.931 9.222 1.00 0.00 C ATOM 503 CG GLU A 59 4.395 -2.427 10.558 1.00 0.00 C ATOM 504 CD GLU A 59 5.762 -1.816 10.845 1.00 0.00 C ATOM 505 OE1 GLU A 59 6.680 -2.114 10.050 1.00 0.00 O ATOM 506 OE2 GLU A 59 5.864 -1.074 11.843 1.00 0.00 O ATOM 0 H GLU A 59 1.699 -1.745 10.350 1.00 0.00 H new ATOM 0 HA GLU A 59 3.733 0.126 9.874 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.132 -2.675 8.832 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.637 -1.842 8.500 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.706 -2.175 11.364 1.00 0.00 H new ATOM 0 HG3 GLU A 59 4.478 -3.514 10.538 1.00 0.00 H new ATOM 513 N ILE A 60 1.921 -0.690 7.215 1.00 0.00 N ATOM 514 CA ILE A 60 1.614 -0.359 5.830 1.00 0.00 C ATOM 515 C ILE A 60 1.038 1.060 5.775 1.00 0.00 C ATOM 516 O ILE A 60 1.509 1.897 5.009 1.00 0.00 O ATOM 517 CB ILE A 60 0.669 -1.428 5.251 1.00 0.00 C ATOM 518 CG1 ILE A 60 1.380 -2.794 5.226 1.00 0.00 C ATOM 519 CG2 ILE A 60 0.164 -1.050 3.853 1.00 0.00 C ATOM 520 CD1 ILE A 60 0.422 -3.967 5.014 1.00 0.00 C ATOM 0 H ILE A 60 1.384 -1.477 7.578 1.00 0.00 H new ATOM 0 HA ILE A 60 2.510 -0.364 5.210 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.206 -1.491 5.898 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.126 -2.794 4.431 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.915 -2.935 6.165 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.499 -1.831 3.482 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.380 -0.107 3.905 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.012 -0.943 3.177 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.985 -4.900 5.006 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -0.309 -3.991 5.823 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.095 -3.847 4.062 1.00 0.00 H new ATOM 532 N LEU A 61 0.042 1.331 6.620 1.00 0.00 N ATOM 533 CA LEU A 61 -0.543 2.646 6.832 1.00 0.00 C ATOM 534 C LEU A 61 0.549 3.684 7.015 1.00 0.00 C ATOM 535 O LEU A 61 0.606 4.670 6.276 1.00 0.00 O ATOM 536 CB LEU A 61 -1.403 2.610 8.099 1.00 0.00 C ATOM 537 CG LEU A 61 -2.103 3.937 8.423 1.00 0.00 C ATOM 538 CD1 LEU A 61 -3.081 4.342 7.317 1.00 0.00 C ATOM 539 CD2 LEU A 61 -2.821 3.823 9.769 1.00 0.00 C ATOM 0 H LEU A 61 -0.392 0.609 7.195 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.149 2.909 5.965 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.158 1.831 7.990 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.774 2.328 8.944 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.347 4.719 8.485 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.558 5.286 7.581 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.540 4.459 6.378 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.842 3.570 7.204 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.317 4.766 9.998 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.562 3.025 9.720 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.096 3.596 10.550 1.00 0.00 H new ATOM 551 N ASP A 62 1.398 3.462 8.023 1.00 0.00 N ATOM 552 CA ASP A 62 2.428 4.420 8.363 1.00 0.00 C ATOM 553 C ASP A 62 3.291 4.657 7.135 1.00 0.00 C ATOM 554 O ASP A 62 3.487 5.797 6.733 1.00 0.00 O ATOM 555 CB ASP A 62 3.259 3.949 9.557 1.00 0.00 C ATOM 556 CG ASP A 62 4.272 5.028 9.911 1.00 0.00 C ATOM 557 OD1 ASP A 62 3.851 6.023 10.545 1.00 0.00 O ATOM 558 OD2 ASP A 62 5.427 4.890 9.460 1.00 0.00 O ATOM 0 H ASP A 62 1.384 2.628 8.610 1.00 0.00 H new ATOM 0 HA ASP A 62 1.967 5.360 8.666 1.00 0.00 H new ATOM 0 HB2 ASP A 62 2.611 3.746 10.410 1.00 0.00 H new ATOM 0 HB3 ASP A 62 3.770 3.017 9.316 1.00 0.00 H new ATOM 563 N ILE A 63 3.719 3.584 6.473 1.00 0.00 N ATOM 564 CA ILE A 63 4.581 3.683 5.304 1.00 0.00 C ATOM 565 C ILE A 63 3.911 4.512 4.208 1.00 0.00 C ATOM 566 O ILE A 63 4.557 5.367 3.608 1.00 0.00 O ATOM 567 CB ILE A 63 4.987 2.268 4.845 1.00 0.00 C ATOM 568 CG1 ILE A 63 6.248 1.840 5.613 1.00 0.00 C ATOM 569 CG2 ILE A 63 5.207 2.185 3.330 1.00 0.00 C ATOM 570 CD1 ILE A 63 6.454 0.322 5.615 1.00 0.00 C ATOM 0 H ILE A 63 3.478 2.627 6.732 1.00 0.00 H new ATOM 0 HA ILE A 63 5.499 4.214 5.557 1.00 0.00 H new ATOM 0 HB ILE A 63 4.168 1.584 5.068 1.00 0.00 H new ATOM 0 HG12 ILE A 63 7.120 2.320 5.168 1.00 0.00 H new ATOM 0 HG13 ILE A 63 6.179 2.194 6.642 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.491 1.168 3.059 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.286 2.455 2.813 1.00 0.00 H new ATOM 0 HG23 ILE A 63 6.001 2.873 3.039 1.00 0.00 H new ATOM 0 HD11 ILE A 63 7.359 0.078 6.172 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.598 -0.161 6.086 1.00 0.00 H new ATOM 0 HD13 ILE A 63 6.552 -0.033 4.589 1.00 0.00 H new ATOM 582 N ILE A 64 2.627 4.287 3.940 1.00 0.00 N ATOM 583 CA ILE A 64 1.889 5.055 2.943 1.00 0.00 C ATOM 584 C ILE A 64 1.867 6.532 3.331 1.00 0.00 C ATOM 585 O ILE A 64 2.174 7.403 2.516 1.00 0.00 O ATOM 586 CB ILE A 64 0.477 4.473 2.790 1.00 0.00 C ATOM 587 CG1 ILE A 64 0.589 3.064 2.191 1.00 0.00 C ATOM 588 CG2 ILE A 64 -0.401 5.363 1.898 1.00 0.00 C ATOM 589 CD1 ILE A 64 -0.684 2.261 2.447 1.00 0.00 C ATOM 0 H ILE A 64 2.071 3.570 4.406 1.00 0.00 H new ATOM 0 HA ILE A 64 2.384 4.984 1.975 1.00 0.00 H new ATOM 0 HB ILE A 64 0.003 4.427 3.770 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.770 3.134 1.118 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.444 2.546 2.626 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.394 4.923 1.810 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -0.482 6.355 2.341 1.00 0.00 H new ATOM 0 HG23 ILE A 64 0.049 5.443 0.909 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.580 1.266 2.013 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.849 2.173 3.521 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.533 2.769 1.990 1.00 0.00 H new ATOM 601 N LEU A 65 1.491 6.816 4.576 1.00 0.00 N ATOM 602 CA LEU A 65 1.384 8.176 5.073 1.00 0.00 C ATOM 603 C LEU A 65 2.751 8.883 5.101 1.00 0.00 C ATOM 604 O LEU A 65 2.810 10.085 4.848 1.00 0.00 O ATOM 605 CB LEU A 65 0.745 8.155 6.467 1.00 0.00 C ATOM 606 CG LEU A 65 -0.729 7.701 6.524 1.00 0.00 C ATOM 607 CD1 LEU A 65 -1.113 7.496 7.994 1.00 0.00 C ATOM 608 CD2 LEU A 65 -1.659 8.758 5.933 1.00 0.00 C ATOM 0 H LEU A 65 1.252 6.104 5.266 1.00 0.00 H new ATOM 0 HA LEU A 65 0.751 8.746 4.394 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.333 7.496 7.106 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.814 9.156 6.893 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.832 6.782 5.947 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.153 7.174 8.057 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.470 6.734 8.435 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.990 8.433 8.536 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.690 8.408 5.988 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.560 9.686 6.497 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.392 8.936 4.891 1.00 0.00 H new ATOM 620 N ASN A 66 3.822 8.149 5.424 1.00 0.00 N ATOM 621 CA ASN A 66 5.165 8.661 5.712 1.00 0.00 C ATOM 622 C ASN A 66 6.048 8.650 4.468 1.00 0.00 C ATOM 623 O ASN A 66 6.575 9.688 4.081 1.00 0.00 O ATOM 624 CB ASN A 66 5.859 7.809 6.790 1.00 0.00 C ATOM 625 CG ASN A 66 5.408 8.132 8.212 1.00 0.00 C ATOM 626 OD1 ASN A 66 6.150 8.732 8.985 1.00 0.00 O ATOM 627 ND2 ASN A 66 4.196 7.723 8.558 1.00 0.00 N ATOM 0 H ASN A 66 3.772 7.133 5.495 1.00 0.00 H new ATOM 0 HA ASN A 66 5.037 9.685 6.063 1.00 0.00 H new ATOM 0 HB2 ASN A 66 5.666 6.755 6.588 1.00 0.00 H new ATOM 0 HB3 ASN A 66 6.937 7.955 6.718 1.00 0.00 H new ATOM 0 HD21 ASN A 66 3.846 7.904 9.499 1.00 0.00 H new ATOM 0 HD22 ASN A 66 3.613 7.228 7.883 1.00 0.00 H new ATOM 634 N GLY A 67 6.245 7.462 3.886 1.00 0.00 N ATOM 635 CA GLY A 67 7.226 7.183 2.847 1.00 0.00 C ATOM 636 C GLY A 67 8.294 6.215 3.361 1.00 0.00 C ATOM 637 O GLY A 67 9.158 6.609 4.141 1.00 0.00 O ATOM 0 H GLY A 67 5.700 6.639 4.141 1.00 0.00 H new ATOM 0 HA2 GLY A 67 6.729 6.756 1.976 1.00 0.00 H new ATOM 0 HA3 GLY A 67 7.695 8.112 2.523 1.00 0.00 H new ATOM 641 N GLN A 68 8.261 4.951 2.911 1.00 0.00 N ATOM 642 CA GLN A 68 9.430 4.072 2.977 1.00 0.00 C ATOM 643 C GLN A 68 10.605 4.781 2.262 1.00 0.00 C ATOM 644 O GLN A 68 10.374 5.611 1.394 1.00 0.00 O ATOM 645 CB GLN A 68 9.089 2.711 2.322 1.00 0.00 C ATOM 646 CG GLN A 68 10.275 1.764 2.144 1.00 0.00 C ATOM 647 CD GLN A 68 11.030 1.363 3.404 1.00 0.00 C ATOM 648 OE1 GLN A 68 11.505 2.208 4.157 1.00 0.00 O ATOM 649 NE2 GLN A 68 11.206 0.066 3.610 1.00 0.00 N ATOM 0 H GLN A 68 7.435 4.518 2.498 1.00 0.00 H new ATOM 0 HA GLN A 68 9.718 3.873 4.009 1.00 0.00 H new ATOM 0 HB2 GLN A 68 8.333 2.212 2.929 1.00 0.00 H new ATOM 0 HB3 GLN A 68 8.642 2.897 1.345 1.00 0.00 H new ATOM 0 HG2 GLN A 68 9.915 0.856 1.661 1.00 0.00 H new ATOM 0 HG3 GLN A 68 10.982 2.231 1.459 1.00 0.00 H new ATOM 0 HE21 GLN A 68 10.799 -0.612 2.966 1.00 0.00 H new ATOM 0 HE22 GLN A 68 11.749 -0.254 4.412 1.00 0.00 H new ATOM 658 N GLY A 69 11.861 4.461 2.590 1.00 0.00 N ATOM 659 CA GLY A 69 13.061 5.122 2.069 1.00 0.00 C ATOM 660 C GLY A 69 12.982 5.575 0.603 1.00 0.00 C ATOM 661 O GLY A 69 13.092 6.765 0.317 1.00 0.00 O ATOM 0 H GLY A 69 12.077 3.711 3.246 1.00 0.00 H new ATOM 0 HA2 GLY A 69 13.273 5.993 2.689 1.00 0.00 H new ATOM 0 HA3 GLY A 69 13.905 4.441 2.176 1.00 0.00 H new ATOM 665 N GLY A 70 12.802 4.637 -0.333 1.00 0.00 N ATOM 666 CA GLY A 70 12.755 4.931 -1.767 1.00 0.00 C ATOM 667 C GLY A 70 11.343 5.240 -2.279 1.00 0.00 C ATOM 668 O GLY A 70 11.090 5.175 -3.481 1.00 0.00 O ATOM 0 H GLY A 70 12.684 3.648 -0.115 1.00 0.00 H new ATOM 0 HA2 GLY A 70 13.404 5.781 -1.978 1.00 0.00 H new ATOM 0 HA3 GLY A 70 13.155 4.080 -2.318 1.00 0.00 H new ATOM 672 N MET A 71 10.415 5.561 -1.376 1.00 0.00 N ATOM 673 CA MET A 71 9.008 5.807 -1.651 1.00 0.00 C ATOM 674 C MET A 71 8.676 7.244 -1.228 1.00 0.00 C ATOM 675 O MET A 71 9.117 7.675 -0.169 1.00 0.00 O ATOM 676 CB MET A 71 8.234 4.781 -0.824 1.00 0.00 C ATOM 677 CG MET A 71 6.724 4.804 -0.983 1.00 0.00 C ATOM 678 SD MET A 71 5.984 3.349 -0.212 1.00 0.00 S ATOM 679 CE MET A 71 4.398 4.074 0.272 1.00 0.00 C ATOM 0 H MET A 71 10.641 5.660 -0.386 1.00 0.00 H new ATOM 0 HA MET A 71 8.752 5.706 -2.706 1.00 0.00 H new ATOM 0 HB2 MET A 71 8.593 3.786 -1.087 1.00 0.00 H new ATOM 0 HB3 MET A 71 8.472 4.937 0.228 1.00 0.00 H new ATOM 0 HG2 MET A 71 6.319 5.709 -0.530 1.00 0.00 H new ATOM 0 HG3 MET A 71 6.464 4.834 -2.041 1.00 0.00 H new ATOM 0 HE1 MET A 71 3.756 3.299 0.691 1.00 0.00 H new ATOM 0 HE2 MET A 71 4.565 4.850 1.019 1.00 0.00 H new ATOM 0 HE3 MET A 71 3.916 4.511 -0.602 1.00 0.00 H new ATOM 689 N PRO A 72 7.913 8.013 -2.019 1.00 0.00 N ATOM 690 CA PRO A 72 7.700 9.429 -1.750 1.00 0.00 C ATOM 691 C PRO A 72 6.877 9.654 -0.484 1.00 0.00 C ATOM 692 O PRO A 72 7.120 10.606 0.253 1.00 0.00 O ATOM 693 CB PRO A 72 7.015 9.991 -3.000 1.00 0.00 C ATOM 694 CG PRO A 72 6.321 8.771 -3.601 1.00 0.00 C ATOM 695 CD PRO A 72 7.294 7.640 -3.276 1.00 0.00 C ATOM 0 HA PRO A 72 8.642 9.942 -1.558 1.00 0.00 H new ATOM 0 HB2 PRO A 72 6.302 10.776 -2.749 1.00 0.00 H new ATOM 0 HB3 PRO A 72 7.736 10.425 -3.693 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.340 8.602 -3.156 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.169 8.879 -4.675 1.00 0.00 H new ATOM 0 HD2 PRO A 72 6.773 6.686 -3.190 1.00 0.00 H new ATOM 0 HD3 PRO A 72 8.040 7.526 -4.062 1.00 0.00 H new ATOM 703 N GLY A 73 5.895 8.785 -0.243 1.00 0.00 N ATOM 704 CA GLY A 73 5.018 8.893 0.907 1.00 0.00 C ATOM 705 C GLY A 73 3.927 9.933 0.680 1.00 0.00 C ATOM 706 O GLY A 73 3.977 10.731 -0.254 1.00 0.00 O ATOM 0 H GLY A 73 5.691 7.987 -0.845 1.00 0.00 H new ATOM 0 HA2 GLY A 73 4.562 7.924 1.111 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.602 9.162 1.787 1.00 0.00 H new ATOM 710 N GLY A 74 2.889 9.872 1.513 1.00 0.00 N ATOM 711 CA GLY A 74 1.717 10.723 1.393 1.00 0.00 C ATOM 712 C GLY A 74 0.995 10.502 0.062 1.00 0.00 C ATOM 713 O GLY A 74 0.260 11.372 -0.397 1.00 0.00 O ATOM 0 H GLY A 74 2.842 9.221 2.297 1.00 0.00 H new ATOM 0 HA2 GLY A 74 1.033 10.520 2.217 1.00 0.00 H new ATOM 0 HA3 GLY A 74 2.015 11.768 1.477 1.00 0.00 H new ATOM 717 N ILE A 75 1.184 9.326 -0.546 1.00 0.00 N ATOM 718 CA ILE A 75 0.562 8.965 -1.813 1.00 0.00 C ATOM 719 C ILE A 75 -0.953 8.881 -1.645 1.00 0.00 C ATOM 720 O ILE A 75 -1.693 9.188 -2.588 1.00 0.00 O ATOM 721 CB ILE A 75 1.186 7.650 -2.323 1.00 0.00 C ATOM 722 CG1 ILE A 75 2.576 7.905 -2.925 1.00 0.00 C ATOM 723 CG2 ILE A 75 0.318 6.916 -3.346 1.00 0.00 C ATOM 724 CD1 ILE A 75 2.567 8.579 -4.307 1.00 0.00 C ATOM 0 H ILE A 75 1.781 8.593 -0.163 1.00 0.00 H new ATOM 0 HA ILE A 75 0.749 9.731 -2.566 1.00 0.00 H new ATOM 0 HB ILE A 75 1.267 7.005 -1.448 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.146 8.529 -2.236 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.102 6.954 -3.004 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.820 6.001 -3.660 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.643 6.666 -2.896 1.00 0.00 H new ATOM 0 HG23 ILE A 75 0.157 7.557 -4.213 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.592 8.718 -4.651 1.00 0.00 H new ATOM 0 HD12 ILE A 75 2.029 7.949 -5.016 1.00 0.00 H new ATOM 0 HD13 ILE A 75 2.073 9.548 -4.236 1.00 0.00 H new ATOM 736 N ALA A 76 -1.385 8.468 -0.447 1.00 0.00 N ATOM 737 CA ALA A 76 -2.770 8.436 -0.031 1.00 0.00 C ATOM 738 C ALA A 76 -2.827 8.979 1.395 1.00 0.00 C ATOM 739 O ALA A 76 -1.803 8.929 2.086 1.00 0.00 O ATOM 740 CB ALA A 76 -3.273 6.991 -0.097 1.00 0.00 C ATOM 0 H ALA A 76 -0.747 8.137 0.277 1.00 0.00 H new ATOM 0 HA ALA A 76 -3.404 9.042 -0.678 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -4.317 6.955 0.215 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -3.186 6.622 -1.119 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -2.674 6.367 0.566 1.00 0.00 H new ATOM 746 N LYS A 77 -3.976 9.499 1.847 1.00 0.00 N ATOM 747 CA LYS A 77 -4.103 9.994 3.220 1.00 0.00 C ATOM 748 C LYS A 77 -5.486 9.758 3.839 1.00 0.00 C ATOM 749 O LYS A 77 -6.496 9.663 3.144 1.00 0.00 O ATOM 750 CB LYS A 77 -3.668 11.471 3.300 1.00 0.00 C ATOM 751 CG LYS A 77 -3.026 11.787 4.658 1.00 0.00 C ATOM 752 CD LYS A 77 -2.566 13.248 4.781 1.00 0.00 C ATOM 753 CE LYS A 77 -1.240 13.346 5.557 1.00 0.00 C ATOM 754 NZ LYS A 77 -0.073 12.995 4.716 1.00 0.00 N ATOM 0 H LYS A 77 -4.823 9.587 1.286 1.00 0.00 H new ATOM 0 HA LYS A 77 -3.425 9.401 3.833 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -2.960 11.688 2.500 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -4.532 12.117 3.144 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -3.742 11.569 5.451 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -2.171 11.129 4.811 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -2.443 13.679 3.787 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -3.333 13.833 5.289 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -1.119 14.360 5.939 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -1.276 12.682 6.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 0.798 13.075 5.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.174 12.019 4.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -0.021 13.644 3.905 1.00 0.00 H new ATOM 768 N GLY A 78 -5.523 9.657 5.173 1.00 0.00 N ATOM 769 CA GLY A 78 -6.742 9.430 5.933 1.00 0.00 C ATOM 770 C GLY A 78 -7.409 8.139 5.472 1.00 0.00 C ATOM 771 O GLY A 78 -6.712 7.166 5.171 1.00 0.00 O ATOM 0 H GLY A 78 -4.690 9.733 5.757 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -6.512 9.371 6.997 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -7.425 10.269 5.801 1.00 0.00 H new ATOM 775 N ALA A 79 -8.740 8.171 5.330 1.00 0.00 N ATOM 776 CA ALA A 79 -9.560 7.054 4.882 1.00 0.00 C ATOM 777 C ALA A 79 -8.940 6.317 3.697 1.00 0.00 C ATOM 778 O ALA A 79 -9.059 5.102 3.604 1.00 0.00 O ATOM 779 CB ALA A 79 -10.963 7.549 4.522 1.00 0.00 C ATOM 0 H ALA A 79 -9.288 9.007 5.533 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.621 6.343 5.706 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -11.571 6.708 4.188 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -11.424 8.004 5.398 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.894 8.287 3.723 1.00 0.00 H new ATOM 785 N GLU A 80 -8.283 7.044 2.793 1.00 0.00 N ATOM 786 CA GLU A 80 -7.569 6.478 1.663 1.00 0.00 C ATOM 787 C GLU A 80 -6.488 5.498 2.153 1.00 0.00 C ATOM 788 O GLU A 80 -6.525 4.310 1.835 1.00 0.00 O ATOM 789 CB GLU A 80 -6.992 7.660 0.878 1.00 0.00 C ATOM 790 CG GLU A 80 -6.690 7.421 -0.604 1.00 0.00 C ATOM 791 CD GLU A 80 -5.934 8.612 -1.188 1.00 0.00 C ATOM 792 OE1 GLU A 80 -5.628 9.535 -0.396 1.00 0.00 O ATOM 793 OE2 GLU A 80 -5.636 8.560 -2.400 1.00 0.00 O ATOM 0 H GLU A 80 -8.235 8.062 2.832 1.00 0.00 H new ATOM 0 HA GLU A 80 -8.222 5.895 1.014 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.692 8.492 0.952 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -6.070 7.975 1.366 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.098 6.513 -0.720 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.620 7.267 -1.152 1.00 0.00 H new ATOM 800 N ALA A 81 -5.525 5.981 2.950 1.00 0.00 N ATOM 801 CA ALA A 81 -4.424 5.167 3.433 1.00 0.00 C ATOM 802 C ALA A 81 -4.934 4.089 4.390 1.00 0.00 C ATOM 803 O ALA A 81 -4.470 2.956 4.341 1.00 0.00 O ATOM 804 CB ALA A 81 -3.382 6.063 4.103 1.00 0.00 C ATOM 0 H ALA A 81 -5.496 6.948 3.273 1.00 0.00 H new ATOM 0 HA ALA A 81 -3.952 4.659 2.592 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.556 5.452 4.466 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -3.007 6.788 3.381 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.839 6.589 4.941 1.00 0.00 H new ATOM 810 N GLU A 82 -5.893 4.434 5.253 1.00 0.00 N ATOM 811 CA GLU A 82 -6.507 3.496 6.184 1.00 0.00 C ATOM 812 C GLU A 82 -7.163 2.344 5.416 1.00 0.00 C ATOM 813 O GLU A 82 -6.949 1.169 5.724 1.00 0.00 O ATOM 814 CB GLU A 82 -7.525 4.247 7.050 1.00 0.00 C ATOM 815 CG GLU A 82 -6.863 5.317 7.931 1.00 0.00 C ATOM 816 CD GLU A 82 -7.906 6.229 8.563 1.00 0.00 C ATOM 817 OE1 GLU A 82 -8.726 5.695 9.339 1.00 0.00 O ATOM 818 OE2 GLU A 82 -7.881 7.437 8.239 1.00 0.00 O ATOM 0 H GLU A 82 -6.265 5.381 5.322 1.00 0.00 H new ATOM 0 HA GLU A 82 -5.747 3.064 6.835 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -8.269 4.718 6.407 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -8.056 3.536 7.683 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -6.275 4.836 8.712 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -6.172 5.910 7.331 1.00 0.00 H new ATOM 825 N ALA A 83 -7.950 2.687 4.391 1.00 0.00 N ATOM 826 CA ALA A 83 -8.563 1.721 3.499 1.00 0.00 C ATOM 827 C ALA A 83 -7.485 0.815 2.912 1.00 0.00 C ATOM 828 O ALA A 83 -7.629 -0.408 2.983 1.00 0.00 O ATOM 829 CB ALA A 83 -9.374 2.427 2.408 1.00 0.00 C ATOM 0 H ALA A 83 -8.176 3.655 4.162 1.00 0.00 H new ATOM 0 HA ALA A 83 -9.261 1.100 4.060 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -9.825 1.683 1.751 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -10.159 3.027 2.869 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -8.717 3.074 1.827 1.00 0.00 H new ATOM 835 N VAL A 84 -6.399 1.396 2.376 1.00 0.00 N ATOM 836 CA VAL A 84 -5.290 0.564 1.928 1.00 0.00 C ATOM 837 C VAL A 84 -4.856 -0.376 3.041 1.00 0.00 C ATOM 838 O VAL A 84 -4.837 -1.573 2.826 1.00 0.00 O ATOM 839 CB VAL A 84 -4.042 1.319 1.447 1.00 0.00 C ATOM 840 CG1 VAL A 84 -3.028 0.239 1.031 1.00 0.00 C ATOM 841 CG2 VAL A 84 -4.291 2.287 0.291 1.00 0.00 C ATOM 0 H VAL A 84 -6.274 2.400 2.249 1.00 0.00 H new ATOM 0 HA VAL A 84 -5.691 0.035 1.063 1.00 0.00 H new ATOM 0 HB VAL A 84 -3.683 1.954 2.257 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.114 0.715 0.677 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -2.799 -0.395 1.888 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.452 -0.370 0.233 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.356 2.775 0.017 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.678 1.737 -0.567 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -5.017 3.040 0.597 1.00 0.00 H new ATOM 851 N ALA A 85 -4.455 0.155 4.195 1.00 0.00 N ATOM 852 CA ALA A 85 -3.874 -0.614 5.284 1.00 0.00 C ATOM 853 C ALA A 85 -4.678 -1.886 5.551 1.00 0.00 C ATOM 854 O ALA A 85 -4.137 -2.992 5.495 1.00 0.00 O ATOM 855 CB ALA A 85 -3.811 0.281 6.517 1.00 0.00 C ATOM 0 H ALA A 85 -4.528 1.152 4.399 1.00 0.00 H new ATOM 0 HA ALA A 85 -2.868 -0.937 5.017 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -3.378 -0.275 7.348 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -3.193 1.153 6.303 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.817 0.606 6.783 1.00 0.00 H new ATOM 861 N ALA A 86 -5.982 -1.720 5.794 1.00 0.00 N ATOM 862 CA ALA A 86 -6.882 -2.840 6.028 1.00 0.00 C ATOM 863 C ALA A 86 -6.874 -3.807 4.840 1.00 0.00 C ATOM 864 O ALA A 86 -6.619 -5.001 4.994 1.00 0.00 O ATOM 865 CB ALA A 86 -8.292 -2.310 6.295 1.00 0.00 C ATOM 0 H ALA A 86 -6.436 -0.807 5.833 1.00 0.00 H new ATOM 0 HA ALA A 86 -6.540 -3.395 6.901 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -8.968 -3.147 6.471 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -8.278 -1.665 7.173 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -8.636 -1.740 5.432 1.00 0.00 H new ATOM 871 N TRP A 87 -7.164 -3.291 3.646 1.00 0.00 N ATOM 872 CA TRP A 87 -7.289 -4.105 2.446 1.00 0.00 C ATOM 873 C TRP A 87 -5.994 -4.874 2.150 1.00 0.00 C ATOM 874 O TRP A 87 -6.030 -6.041 1.783 1.00 0.00 O ATOM 875 CB TRP A 87 -7.694 -3.179 1.302 1.00 0.00 C ATOM 876 CG TRP A 87 -7.659 -3.763 -0.072 1.00 0.00 C ATOM 877 CD1 TRP A 87 -8.641 -4.424 -0.724 1.00 0.00 C ATOM 878 CD2 TRP A 87 -6.573 -3.655 -1.023 1.00 0.00 C ATOM 879 NE1 TRP A 87 -8.153 -4.906 -1.923 1.00 0.00 N ATOM 880 CE2 TRP A 87 -6.882 -4.436 -2.168 1.00 0.00 C ATOM 881 CE3 TRP A 87 -5.352 -2.965 -1.048 1.00 0.00 C ATOM 882 CZ2 TRP A 87 -5.957 -4.583 -3.210 1.00 0.00 C ATOM 883 CZ3 TRP A 87 -4.614 -2.916 -2.240 1.00 0.00 C ATOM 884 CH2 TRP A 87 -5.083 -3.530 -3.404 1.00 0.00 C ATOM 0 H TRP A 87 -7.318 -2.295 3.487 1.00 0.00 H new ATOM 0 HA TRP A 87 -8.053 -4.870 2.582 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -8.705 -2.821 1.495 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -7.039 -2.308 1.319 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -9.651 -4.555 -0.364 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -8.667 -5.529 -2.546 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -4.984 -2.476 -0.158 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -5.929 -5.469 -3.827 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -3.668 -2.395 -2.258 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -4.783 -3.204 -4.389 1.00 0.00 H new ATOM 895 N LEU A 88 -4.839 -4.234 2.315 1.00 0.00 N ATOM 896 CA LEU A 88 -3.537 -4.822 2.069 1.00 0.00 C ATOM 897 C LEU A 88 -3.243 -5.892 3.114 1.00 0.00 C ATOM 898 O LEU A 88 -2.848 -7.002 2.763 1.00 0.00 O ATOM 899 CB LEU A 88 -2.451 -3.746 1.991 1.00 0.00 C ATOM 900 CG LEU A 88 -1.535 -3.909 0.773 1.00 0.00 C ATOM 901 CD1 LEU A 88 -0.527 -5.032 0.921 1.00 0.00 C ATOM 902 CD2 LEU A 88 -2.195 -3.907 -0.589 1.00 0.00 C ATOM 0 H LEU A 88 -4.788 -3.266 2.632 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.542 -5.314 1.096 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -2.922 -2.764 1.956 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.849 -3.779 2.899 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.986 -2.967 0.784 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.088 -5.090 0.023 1.00 0.00 H new ATOM 0 HD12 LEU A 88 0.110 -4.838 1.784 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.053 -5.976 1.063 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.436 -4.030 -1.361 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -2.909 -4.728 -0.648 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -2.716 -2.961 -0.739 1.00 0.00 H new ATOM 914 N ALA A 89 -3.494 -5.587 4.391 1.00 0.00 N ATOM 915 CA ALA A 89 -3.439 -6.572 5.466 1.00 0.00 C ATOM 916 C ALA A 89 -4.293 -7.798 5.129 1.00 0.00 C ATOM 917 O ALA A 89 -3.894 -8.933 5.385 1.00 0.00 O ATOM 918 CB ALA A 89 -3.852 -5.934 6.794 1.00 0.00 C ATOM 0 H ALA A 89 -3.741 -4.648 4.705 1.00 0.00 H new ATOM 0 HA ALA A 89 -2.411 -6.919 5.572 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -3.806 -6.681 7.586 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -3.175 -5.113 7.029 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -4.870 -5.553 6.713 1.00 0.00 H new ATOM 924 N GLU A 90 -5.457 -7.566 4.522 1.00 0.00 N ATOM 925 CA GLU A 90 -6.392 -8.596 4.094 1.00 0.00 C ATOM 926 C GLU A 90 -5.910 -9.346 2.830 1.00 0.00 C ATOM 927 O GLU A 90 -6.331 -10.473 2.582 1.00 0.00 O ATOM 928 CB GLU A 90 -7.756 -7.902 3.939 1.00 0.00 C ATOM 929 CG GLU A 90 -8.930 -8.838 3.604 1.00 0.00 C ATOM 930 CD GLU A 90 -9.519 -8.559 2.222 1.00 0.00 C ATOM 931 OE1 GLU A 90 -8.722 -8.450 1.266 1.00 0.00 O ATOM 932 OE2 GLU A 90 -10.762 -8.451 2.151 1.00 0.00 O ATOM 0 H GLU A 90 -5.782 -6.623 4.310 1.00 0.00 H new ATOM 0 HA GLU A 90 -6.472 -9.394 4.832 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -7.985 -7.374 4.865 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.676 -7.149 3.155 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -8.591 -9.873 3.650 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -9.709 -8.724 4.358 1.00 0.00 H new ATOM 939 N LYS A 91 -4.959 -8.794 2.066 1.00 0.00 N ATOM 940 CA LYS A 91 -4.638 -9.222 0.698 1.00 0.00 C ATOM 941 C LYS A 91 -3.659 -10.402 0.639 1.00 0.00 C ATOM 942 O LYS A 91 -3.174 -10.756 -0.434 1.00 0.00 O ATOM 943 CB LYS A 91 -4.036 -8.008 -0.020 1.00 0.00 C ATOM 944 CG LYS A 91 -4.631 -7.719 -1.396 1.00 0.00 C ATOM 945 CD LYS A 91 -4.132 -8.638 -2.514 1.00 0.00 C ATOM 946 CE LYS A 91 -2.605 -8.523 -2.648 1.00 0.00 C ATOM 947 NZ LYS A 91 -2.141 -8.897 -4.002 1.00 0.00 N ATOM 0 H LYS A 91 -4.378 -8.020 2.389 1.00 0.00 H new ATOM 0 HA LYS A 91 -5.552 -9.575 0.220 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -4.169 -7.128 0.610 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -2.963 -8.163 -0.129 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -5.716 -7.802 -1.333 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -4.406 -6.687 -1.665 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -4.410 -9.670 -2.299 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -4.609 -8.370 -3.457 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -2.297 -7.501 -2.428 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -2.126 -9.166 -1.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -1.328 -8.304 -4.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -1.856 -9.897 -4.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -2.912 -8.753 -4.685 1.00 0.00 H new ATOM 961 N LYS A 92 -3.276 -10.894 1.811 1.00 0.00 N ATOM 962 CA LYS A 92 -1.986 -11.489 2.087 1.00 0.00 C ATOM 963 C LYS A 92 -1.849 -12.953 1.660 1.00 0.00 C ATOM 964 O LYS A 92 -2.505 -13.379 0.684 1.00 0.00 O ATOM 965 CB LYS A 92 -1.714 -11.243 3.565 1.00 0.00 C ATOM 966 CG LYS A 92 -2.782 -11.820 4.512 1.00 0.00 C ATOM 967 CD LYS A 92 -2.347 -11.617 5.966 1.00 0.00 C ATOM 968 CE LYS A 92 -3.505 -11.870 6.939 1.00 0.00 C ATOM 969 NZ LYS A 92 -3.052 -11.805 8.343 1.00 0.00 N ATOM 970 OXT LYS A 92 -0.940 -13.643 2.177 1.00 0.00 O ATOM 0 H LYS A 92 -3.888 -10.886 2.627 1.00 0.00 H new ATOM 0 HA LYS A 92 -1.220 -11.018 1.471 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -0.747 -11.676 3.821 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -1.638 -10.169 3.734 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -3.740 -11.330 4.337 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -2.926 -12.881 4.310 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -1.522 -12.291 6.198 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -1.975 -10.601 6.097 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -4.289 -11.132 6.773 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -3.942 -12.849 6.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -3.858 -11.980 8.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -2.321 -12.526 8.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -2.658 -10.862 8.537 1.00 0.00 H new