USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 440 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 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -8:sc= 0.977 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -167:sc= 0.641 (180deg=0.449) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 133:sc= -0.122 (180deg=-0.686) USER MOD Single : A 77 THR OG1 : rot 78:sc= 0.245 USER MOD Single : A 79 MET CE :methyl 162:sc= -0.347 (180deg=-0.976) USER MOD Single : A 80 SER OG : rot 180:sc= 0.0321 USER MOD Single : A 83 THR OG1 : rot -87:sc= 1.23 USER MOD Single : A 87 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 89 ASN : amide:sc= -0.165 X(o=-0.16,f=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -0.131 X(o=-0.13,f=-0.44) USER MOD Single : A 100 GLN : amide:sc= -0.153 X(o=-0.15,f=-0.11) USER MOD Single : A 101 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 102 GLN :FLIP amide:sc= -0.12 F(o=-1.3!,f=-0.12) USER MOD Single : A 104 MET CE :methyl 163:sc= -0.106 (180deg=-0.57) USER MOD Single : A 105 ASN : amide:sc=-0.00823 K(o=-0.0082,f=-0.92) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 49 19.877 4.069 -7.722 1.00 0.00 N ATOM 2 CA GLY A 49 20.663 2.867 -7.350 1.00 0.00 C ATOM 3 C GLY A 49 20.939 2.802 -5.863 1.00 0.00 C ATOM 4 O GLY A 49 22.011 3.201 -5.405 1.00 0.00 O ATOM 0 HA2 GLY A 49 20.122 1.972 -7.657 1.00 0.00 H new ATOM 0 HA3 GLY A 49 21.608 2.870 -7.893 1.00 0.00 H new ATOM 10 N LEU A 50 19.971 2.313 -5.107 1.00 0.00 N ATOM 11 CA LEU A 50 20.113 2.180 -3.664 1.00 0.00 C ATOM 12 C LEU A 50 19.856 0.746 -3.240 1.00 0.00 C ATOM 13 O LEU A 50 18.983 0.075 -3.784 1.00 0.00 O ATOM 14 CB LEU A 50 19.142 3.113 -2.935 1.00 0.00 C ATOM 15 CG LEU A 50 19.434 4.606 -3.085 1.00 0.00 C ATOM 16 CD1 LEU A 50 18.388 5.429 -2.347 1.00 0.00 C ATOM 17 CD2 LEU A 50 20.826 4.930 -2.566 1.00 0.00 C ATOM 0 H LEU A 50 19.071 1.999 -5.470 1.00 0.00 H new ATOM 0 HA LEU A 50 21.133 2.457 -3.397 1.00 0.00 H new ATOM 0 HB2 LEU A 50 18.134 2.918 -3.300 1.00 0.00 H new ATOM 0 HB3 LEU A 50 19.151 2.863 -1.874 1.00 0.00 H new ATOM 0 HG LEU A 50 19.391 4.861 -4.144 1.00 0.00 H new ATOM 0 HD11 LEU A 50 18.611 6.490 -2.464 1.00 0.00 H new ATOM 0 HD12 LEU A 50 17.401 5.218 -2.759 1.00 0.00 H new ATOM 0 HD13 LEU A 50 18.402 5.170 -1.288 1.00 0.00 H new ATOM 0 HD21 LEU A 50 21.018 5.997 -2.680 1.00 0.00 H new ATOM 0 HD22 LEU A 50 20.893 4.660 -1.512 1.00 0.00 H new ATOM 0 HD23 LEU A 50 21.566 4.366 -3.133 1.00 0.00 H new ATOM 29 N GLU A 51 20.619 0.281 -2.263 1.00 0.00 N ATOM 30 CA GLU A 51 20.463 -1.074 -1.751 1.00 0.00 C ATOM 31 C GLU A 51 19.357 -1.118 -0.708 1.00 0.00 C ATOM 32 O GLU A 51 19.042 -2.169 -0.156 1.00 0.00 O ATOM 33 CB GLU A 51 21.773 -1.572 -1.147 1.00 0.00 C ATOM 34 CG GLU A 51 22.943 -1.511 -2.113 1.00 0.00 C ATOM 35 CD GLU A 51 24.199 -2.125 -1.541 1.00 0.00 C ATOM 36 OE1 GLU A 51 24.824 -1.501 -0.659 1.00 0.00 O ATOM 37 OE2 GLU A 51 24.575 -3.231 -1.977 1.00 0.00 O ATOM 0 H GLU A 51 21.354 0.822 -1.807 1.00 0.00 H new ATOM 0 HA GLU A 51 20.192 -1.727 -2.581 1.00 0.00 H new ATOM 0 HB2 GLU A 51 22.008 -0.976 -0.265 1.00 0.00 H new ATOM 0 HB3 GLU A 51 21.642 -2.601 -0.811 1.00 0.00 H new ATOM 0 HG2 GLU A 51 22.676 -2.029 -3.034 1.00 0.00 H new ATOM 0 HG3 GLU A 51 23.138 -0.472 -2.377 1.00 0.00 H new ATOM 44 N TYR A 52 18.789 0.042 -0.437 1.00 0.00 N ATOM 45 CA TYR A 52 17.657 0.156 0.459 1.00 0.00 C ATOM 46 C TYR A 52 16.454 0.640 -0.325 1.00 0.00 C ATOM 47 O TYR A 52 16.565 0.953 -1.513 1.00 0.00 O ATOM 48 CB TYR A 52 17.962 1.122 1.605 1.00 0.00 C ATOM 49 CG TYR A 52 19.114 0.687 2.483 1.00 0.00 C ATOM 50 CD1 TYR A 52 18.911 -0.192 3.540 1.00 0.00 C ATOM 51 CD2 TYR A 52 20.403 1.151 2.255 1.00 0.00 C ATOM 52 CE1 TYR A 52 19.960 -0.598 4.342 1.00 0.00 C ATOM 53 CE2 TYR A 52 21.458 0.749 3.052 1.00 0.00 C ATOM 54 CZ TYR A 52 21.230 -0.124 4.094 1.00 0.00 C ATOM 55 OH TYR A 52 22.278 -0.527 4.889 1.00 0.00 O ATOM 0 H TYR A 52 19.100 0.930 -0.832 1.00 0.00 H new ATOM 0 HA TYR A 52 17.447 -0.822 0.893 1.00 0.00 H new ATOM 0 HB2 TYR A 52 18.186 2.104 1.189 1.00 0.00 H new ATOM 0 HB3 TYR A 52 17.070 1.232 2.221 1.00 0.00 H new ATOM 0 HD1 TYR A 52 17.917 -0.564 3.738 1.00 0.00 H new ATOM 0 HD2 TYR A 52 20.584 1.838 1.441 1.00 0.00 H new ATOM 0 HE1 TYR A 52 19.786 -1.283 5.159 1.00 0.00 H new ATOM 0 HE2 TYR A 52 22.455 1.117 2.860 1.00 0.00 H new ATOM 0 HH TYR A 52 23.105 -0.102 4.580 1.00 0.00 H new ATOM 65 N ALA A 53 15.312 0.709 0.326 1.00 0.00 N ATOM 66 CA ALA A 53 14.097 1.105 -0.348 1.00 0.00 C ATOM 67 C ALA A 53 13.228 1.968 0.548 1.00 0.00 C ATOM 68 O ALA A 53 12.949 1.610 1.692 1.00 0.00 O ATOM 69 CB ALA A 53 13.335 -0.125 -0.811 1.00 0.00 C ATOM 0 H ALA A 53 15.201 0.497 1.317 1.00 0.00 H new ATOM 0 HA ALA A 53 14.367 1.702 -1.219 1.00 0.00 H new ATOM 0 HB1 ALA A 53 12.421 0.183 -1.318 1.00 0.00 H new ATOM 0 HB2 ALA A 53 13.955 -0.700 -1.499 1.00 0.00 H new ATOM 0 HB3 ALA A 53 13.082 -0.742 0.051 1.00 0.00 H new ATOM 75 N VAL A 54 12.819 3.110 0.025 1.00 0.00 N ATOM 76 CA VAL A 54 11.905 3.990 0.731 1.00 0.00 C ATOM 77 C VAL A 54 10.541 3.960 0.055 1.00 0.00 C ATOM 78 O VAL A 54 10.423 4.292 -1.128 1.00 0.00 O ATOM 79 CB VAL A 54 12.413 5.450 0.764 1.00 0.00 C ATOM 80 CG1 VAL A 54 11.495 6.323 1.607 1.00 0.00 C ATOM 81 CG2 VAL A 54 13.841 5.521 1.284 1.00 0.00 C ATOM 0 H VAL A 54 13.107 3.451 -0.892 1.00 0.00 H new ATOM 0 HA VAL A 54 11.835 3.630 1.758 1.00 0.00 H new ATOM 0 HB VAL A 54 12.405 5.829 -0.258 1.00 0.00 H new ATOM 0 HG11 VAL A 54 11.872 7.346 1.616 1.00 0.00 H new ATOM 0 HG12 VAL A 54 10.491 6.310 1.183 1.00 0.00 H new ATOM 0 HG13 VAL A 54 11.463 5.939 2.627 1.00 0.00 H new ATOM 0 HG21 VAL A 54 14.172 6.559 1.296 1.00 0.00 H new ATOM 0 HG22 VAL A 54 13.881 5.115 2.295 1.00 0.00 H new ATOM 0 HG23 VAL A 54 14.494 4.939 0.634 1.00 0.00 H new ATOM 91 N ALA A 55 9.526 3.526 0.790 1.00 0.00 N ATOM 92 CA ALA A 55 8.165 3.529 0.284 1.00 0.00 C ATOM 93 C ALA A 55 7.694 4.959 0.042 1.00 0.00 C ATOM 94 O ALA A 55 7.561 5.748 0.979 1.00 0.00 O ATOM 95 CB ALA A 55 7.243 2.814 1.259 1.00 0.00 C ATOM 0 H ALA A 55 9.622 3.167 1.740 1.00 0.00 H new ATOM 0 HA ALA A 55 8.140 2.996 -0.667 1.00 0.00 H new ATOM 0 HB1 ALA A 55 6.225 2.822 0.870 1.00 0.00 H new ATOM 0 HB2 ALA A 55 7.575 1.783 1.385 1.00 0.00 H new ATOM 0 HB3 ALA A 55 7.267 3.323 2.222 1.00 0.00 H new ATOM 101 N GLU A 56 7.470 5.292 -1.223 1.00 0.00 N ATOM 102 CA GLU A 56 7.031 6.626 -1.604 1.00 0.00 C ATOM 103 C GLU A 56 5.565 6.816 -1.246 1.00 0.00 C ATOM 104 O GLU A 56 5.210 7.752 -0.534 1.00 0.00 O ATOM 105 CB GLU A 56 7.229 6.859 -3.107 1.00 0.00 C ATOM 106 CG GLU A 56 8.658 6.646 -3.579 1.00 0.00 C ATOM 107 CD GLU A 56 8.860 6.988 -5.046 1.00 0.00 C ATOM 108 OE1 GLU A 56 8.182 6.393 -5.902 1.00 0.00 O ATOM 109 OE2 GLU A 56 9.707 7.859 -5.349 1.00 0.00 O ATOM 0 H GLU A 56 7.587 4.650 -2.007 1.00 0.00 H new ATOM 0 HA GLU A 56 7.635 7.351 -1.057 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.570 6.188 -3.659 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.924 7.877 -3.350 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.329 7.257 -2.974 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.938 5.606 -3.413 1.00 0.00 H new ATOM 116 N SER A 57 4.723 5.917 -1.746 1.00 0.00 N ATOM 117 CA SER A 57 3.286 5.957 -1.492 1.00 0.00 C ATOM 118 C SER A 57 2.652 4.619 -1.858 1.00 0.00 C ATOM 119 O SER A 57 3.302 3.749 -2.443 1.00 0.00 O ATOM 120 CB SER A 57 2.615 7.073 -2.307 1.00 0.00 C ATOM 121 OG SER A 57 3.065 8.360 -1.918 1.00 0.00 O ATOM 0 H SER A 57 5.017 5.140 -2.338 1.00 0.00 H new ATOM 0 HA SER A 57 3.138 6.157 -0.431 1.00 0.00 H new ATOM 0 HB2 SER A 57 2.821 6.922 -3.367 1.00 0.00 H new ATOM 0 HB3 SER A 57 1.534 7.014 -2.181 1.00 0.00 H new ATOM 0 HG SER A 57 3.623 8.283 -1.116 1.00 0.00 H new ATOM 127 N VAL A 58 1.388 4.458 -1.500 1.00 0.00 N ATOM 128 CA VAL A 58 0.619 3.293 -1.900 1.00 0.00 C ATOM 129 C VAL A 58 -0.217 3.645 -3.125 1.00 0.00 C ATOM 130 O VAL A 58 -0.958 4.624 -3.107 1.00 0.00 O ATOM 131 CB VAL A 58 -0.309 2.812 -0.765 1.00 0.00 C ATOM 132 CG1 VAL A 58 -1.081 1.575 -1.190 1.00 0.00 C ATOM 133 CG2 VAL A 58 0.492 2.535 0.497 1.00 0.00 C ATOM 0 H VAL A 58 0.871 5.126 -0.929 1.00 0.00 H new ATOM 0 HA VAL A 58 1.313 2.485 -2.132 1.00 0.00 H new ATOM 0 HB VAL A 58 -1.026 3.604 -0.551 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.729 1.253 -0.375 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -1.687 1.807 -2.066 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.381 0.776 -1.435 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.179 2.197 1.287 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.234 1.762 0.295 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.996 3.447 0.815 1.00 0.00 H new ATOM 143 N ILE A 59 -0.085 2.866 -4.191 1.00 0.00 N ATOM 144 CA ILE A 59 -0.773 3.185 -5.440 1.00 0.00 C ATOM 145 C ILE A 59 -1.721 2.063 -5.862 1.00 0.00 C ATOM 146 O ILE A 59 -2.464 2.201 -6.837 1.00 0.00 O ATOM 147 CB ILE A 59 0.212 3.489 -6.609 1.00 0.00 C ATOM 148 CG1 ILE A 59 0.862 2.212 -7.171 1.00 0.00 C ATOM 149 CG2 ILE A 59 1.288 4.472 -6.162 1.00 0.00 C ATOM 150 CD1 ILE A 59 1.748 1.469 -6.197 1.00 0.00 C ATOM 0 H ILE A 59 0.483 2.020 -4.219 1.00 0.00 H new ATOM 0 HA ILE A 59 -1.348 4.088 -5.236 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.374 3.938 -7.411 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.074 1.539 -7.510 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.453 2.478 -8.048 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.966 4.672 -6.992 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.820 5.404 -5.844 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.848 4.045 -5.330 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.161 0.585 -6.682 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.561 2.120 -5.876 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.161 1.166 -5.330 1.00 0.00 H new ATOM 162 N GLY A 60 -1.710 0.962 -5.123 1.00 0.00 N ATOM 163 CA GLY A 60 -2.531 -0.175 -5.492 1.00 0.00 C ATOM 164 C GLY A 60 -3.221 -0.811 -4.304 1.00 0.00 C ATOM 165 O GLY A 60 -2.669 -0.845 -3.205 1.00 0.00 O ATOM 0 H GLY A 60 -1.151 0.835 -4.279 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -3.282 0.144 -6.214 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -1.909 -0.921 -5.987 1.00 0.00 H new ATOM 169 N LYS A 61 -4.421 -1.329 -4.529 1.00 0.00 N ATOM 170 CA LYS A 61 -5.197 -1.964 -3.473 1.00 0.00 C ATOM 171 C LYS A 61 -5.970 -3.161 -4.016 1.00 0.00 C ATOM 172 O LYS A 61 -6.701 -3.043 -4.999 1.00 0.00 O ATOM 173 CB LYS A 61 -6.174 -0.958 -2.858 1.00 0.00 C ATOM 174 CG LYS A 61 -7.070 -1.550 -1.785 1.00 0.00 C ATOM 175 CD LYS A 61 -8.124 -0.555 -1.331 1.00 0.00 C ATOM 176 CE LYS A 61 -9.047 -1.164 -0.291 1.00 0.00 C ATOM 177 NZ LYS A 61 -10.216 -0.292 -0.005 1.00 0.00 N ATOM 0 H LYS A 61 -4.880 -1.321 -5.440 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.506 -2.312 -2.705 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.608 -0.131 -2.429 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.797 -0.541 -3.649 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.556 -2.447 -2.169 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.465 -1.856 -0.932 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.638 0.328 -0.916 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.708 -0.224 -2.190 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -9.396 -2.135 -0.641 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.491 -1.338 0.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -10.820 -0.745 0.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.885 0.626 0.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -10.762 -0.146 -0.878 1.00 0.00 H new ATOM 191 N ARG A 62 -5.801 -4.313 -3.383 1.00 0.00 N ATOM 192 CA ARG A 62 -6.579 -5.494 -3.736 1.00 0.00 C ATOM 193 C ARG A 62 -7.308 -6.033 -2.517 1.00 0.00 C ATOM 194 O ARG A 62 -6.689 -6.360 -1.505 1.00 0.00 O ATOM 195 CB ARG A 62 -5.701 -6.589 -4.349 1.00 0.00 C ATOM 196 CG ARG A 62 -5.189 -6.247 -5.736 1.00 0.00 C ATOM 197 CD ARG A 62 -6.335 -5.997 -6.698 1.00 0.00 C ATOM 198 NE ARG A 62 -5.875 -5.498 -7.989 1.00 0.00 N ATOM 199 CZ ARG A 62 -6.635 -4.785 -8.817 1.00 0.00 C ATOM 200 NH1 ARG A 62 -7.891 -4.512 -8.494 1.00 0.00 N ATOM 201 NH2 ARG A 62 -6.135 -4.347 -9.963 1.00 0.00 N ATOM 0 H ARG A 62 -5.134 -4.456 -2.624 1.00 0.00 H new ATOM 0 HA ARG A 62 -7.309 -5.192 -4.486 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.851 -6.773 -3.692 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -6.272 -7.516 -4.399 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.555 -5.362 -5.684 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -4.569 -7.062 -6.109 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -6.891 -6.923 -6.846 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -7.026 -5.278 -6.258 1.00 0.00 H new ATOM 0 HE ARG A 62 -4.918 -5.707 -8.273 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -8.275 -4.848 -7.611 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -8.474 -3.966 -9.128 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -5.168 -4.556 -10.211 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -6.717 -3.801 -10.598 1.00 0.00 H new ATOM 215 N VAL A 63 -8.624 -6.104 -2.620 1.00 0.00 N ATOM 216 CA VAL A 63 -9.454 -6.611 -1.541 1.00 0.00 C ATOM 217 C VAL A 63 -9.826 -8.062 -1.809 1.00 0.00 C ATOM 218 O VAL A 63 -10.442 -8.370 -2.833 1.00 0.00 O ATOM 219 CB VAL A 63 -10.748 -5.783 -1.383 1.00 0.00 C ATOM 220 CG1 VAL A 63 -11.567 -6.274 -0.200 1.00 0.00 C ATOM 221 CG2 VAL A 63 -10.429 -4.305 -1.235 1.00 0.00 C ATOM 0 H VAL A 63 -9.144 -5.814 -3.448 1.00 0.00 H new ATOM 0 HA VAL A 63 -8.877 -6.534 -0.619 1.00 0.00 H new ATOM 0 HB VAL A 63 -11.343 -5.916 -2.287 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -12.473 -5.674 -0.111 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -11.837 -7.319 -0.353 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -10.979 -6.181 0.713 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -11.356 -3.742 -1.125 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -9.806 -4.154 -0.354 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -9.896 -3.957 -2.120 1.00 0.00 H new ATOM 231 N GLY A 64 -9.444 -8.953 -0.906 1.00 0.00 N ATOM 232 CA GLY A 64 -9.783 -10.347 -1.082 1.00 0.00 C ATOM 233 C GLY A 64 -11.246 -10.610 -0.795 1.00 0.00 C ATOM 234 O GLY A 64 -11.727 -10.334 0.303 1.00 0.00 O ATOM 0 H GLY A 64 -8.911 -8.738 -0.063 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.552 -10.651 -2.103 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.167 -10.957 -0.421 1.00 0.00 H new ATOM 238 N ASP A 65 -11.948 -11.157 -1.778 1.00 0.00 N ATOM 239 CA ASP A 65 -13.373 -11.450 -1.639 1.00 0.00 C ATOM 240 C ASP A 65 -13.559 -12.778 -0.919 1.00 0.00 C ATOM 241 O ASP A 65 -14.612 -13.064 -0.358 1.00 0.00 O ATOM 242 CB ASP A 65 -14.044 -11.494 -3.015 1.00 0.00 C ATOM 243 CG ASP A 65 -15.555 -11.593 -2.928 1.00 0.00 C ATOM 244 OD1 ASP A 65 -16.210 -10.560 -2.676 1.00 0.00 O ATOM 245 OD2 ASP A 65 -16.098 -12.699 -3.127 1.00 0.00 O ATOM 0 H ASP A 65 -11.554 -11.409 -2.685 1.00 0.00 H new ATOM 0 HA ASP A 65 -13.841 -10.660 -1.052 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -13.775 -10.598 -3.575 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -13.660 -12.347 -3.575 1.00 0.00 H new ATOM 250 N ASP A 66 -12.501 -13.574 -0.926 1.00 0.00 N ATOM 251 CA ASP A 66 -12.500 -14.886 -0.279 1.00 0.00 C ATOM 252 C ASP A 66 -12.143 -14.760 1.195 1.00 0.00 C ATOM 253 O ASP A 66 -11.623 -15.698 1.796 1.00 0.00 O ATOM 254 CB ASP A 66 -11.499 -15.827 -0.956 1.00 0.00 C ATOM 255 CG ASP A 66 -11.785 -16.037 -2.426 1.00 0.00 C ATOM 256 OD1 ASP A 66 -12.653 -16.871 -2.757 1.00 0.00 O ATOM 257 OD2 ASP A 66 -11.134 -15.370 -3.255 1.00 0.00 O ATOM 0 H ASP A 66 -11.619 -13.334 -1.378 1.00 0.00 H new ATOM 0 HA ASP A 66 -13.504 -15.299 -0.374 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -10.494 -15.422 -0.842 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -11.514 -16.791 -0.447 1.00 0.00 H new ATOM 262 N GLY A 67 -12.366 -13.579 1.760 1.00 0.00 N ATOM 263 CA GLY A 67 -11.968 -13.329 3.133 1.00 0.00 C ATOM 264 C GLY A 67 -10.478 -13.114 3.225 1.00 0.00 C ATOM 265 O GLY A 67 -9.872 -13.237 4.289 1.00 0.00 O ATOM 0 H GLY A 67 -12.815 -12.791 1.293 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -12.491 -12.452 3.515 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -12.258 -14.172 3.760 1.00 0.00 H new ATOM 269 N LYS A 68 -9.891 -12.801 2.082 1.00 0.00 N ATOM 270 CA LYS A 68 -8.462 -12.601 1.980 1.00 0.00 C ATOM 271 C LYS A 68 -8.103 -11.180 2.374 1.00 0.00 C ATOM 272 O LYS A 68 -8.829 -10.230 2.063 1.00 0.00 O ATOM 273 CB LYS A 68 -8.001 -12.903 0.555 1.00 0.00 C ATOM 274 CG LYS A 68 -8.230 -14.352 0.151 1.00 0.00 C ATOM 275 CD LYS A 68 -7.255 -15.284 0.854 1.00 0.00 C ATOM 276 CE LYS A 68 -7.825 -16.684 1.025 1.00 0.00 C ATOM 277 NZ LYS A 68 -8.883 -16.725 2.073 1.00 0.00 N ATOM 0 H LYS A 68 -10.393 -12.679 1.203 1.00 0.00 H new ATOM 0 HA LYS A 68 -7.953 -13.281 2.663 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -8.531 -12.250 -0.139 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -6.940 -12.670 0.465 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -9.252 -14.642 0.394 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -8.118 -14.453 -0.929 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.329 -15.337 0.282 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -7.003 -14.874 1.832 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -8.239 -17.026 0.077 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.023 -17.373 1.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -9.091 -17.714 2.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -8.552 -16.221 2.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -9.746 -16.268 1.714 1.00 0.00 H new ATOM 291 N THR A 69 -6.991 -11.052 3.074 1.00 0.00 N ATOM 292 CA THR A 69 -6.524 -9.773 3.572 1.00 0.00 C ATOM 293 C THR A 69 -6.287 -8.788 2.429 1.00 0.00 C ATOM 294 O THR A 69 -5.824 -9.170 1.352 1.00 0.00 O ATOM 295 CB THR A 69 -5.220 -9.959 4.369 1.00 0.00 C ATOM 296 OG1 THR A 69 -5.395 -10.998 5.343 1.00 0.00 O ATOM 297 CG2 THR A 69 -4.815 -8.673 5.067 1.00 0.00 C ATOM 0 H THR A 69 -6.384 -11.836 3.314 1.00 0.00 H new ATOM 0 HA THR A 69 -7.297 -9.366 4.224 1.00 0.00 H new ATOM 0 HB THR A 69 -4.430 -10.233 3.670 1.00 0.00 H new ATOM 0 HG1 THR A 69 -4.564 -11.116 5.848 1.00 0.00 H new ATOM 0 HG21 THR A 69 -3.891 -8.836 5.622 1.00 0.00 H new ATOM 0 HG22 THR A 69 -4.660 -7.890 4.325 1.00 0.00 H new ATOM 0 HG23 THR A 69 -5.603 -8.369 5.756 1.00 0.00 H new ATOM 305 N ILE A 70 -6.617 -7.526 2.673 1.00 0.00 N ATOM 306 CA ILE A 70 -6.439 -6.485 1.678 1.00 0.00 C ATOM 307 C ILE A 70 -4.962 -6.158 1.530 1.00 0.00 C ATOM 308 O ILE A 70 -4.303 -5.765 2.493 1.00 0.00 O ATOM 309 CB ILE A 70 -7.206 -5.201 2.065 1.00 0.00 C ATOM 310 CG1 ILE A 70 -8.691 -5.505 2.260 1.00 0.00 C ATOM 311 CG2 ILE A 70 -7.017 -4.125 1.004 1.00 0.00 C ATOM 312 CD1 ILE A 70 -9.500 -4.313 2.730 1.00 0.00 C ATOM 0 H ILE A 70 -7.011 -7.201 3.556 1.00 0.00 H new ATOM 0 HA ILE A 70 -6.836 -6.855 0.733 1.00 0.00 H new ATOM 0 HB ILE A 70 -6.803 -4.829 3.007 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -9.106 -5.866 1.319 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -8.795 -6.312 2.985 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -7.564 -3.228 1.294 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -5.957 -3.889 0.910 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.394 -4.487 0.047 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -10.544 -4.605 2.846 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -9.112 -3.964 3.687 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.427 -3.511 1.995 1.00 0.00 H new ATOM 324 N GLU A 71 -4.446 -6.335 0.327 1.00 0.00 N ATOM 325 CA GLU A 71 -3.038 -6.099 0.068 1.00 0.00 C ATOM 326 C GLU A 71 -2.842 -4.771 -0.626 1.00 0.00 C ATOM 327 O GLU A 71 -3.698 -4.316 -1.390 1.00 0.00 O ATOM 328 CB GLU A 71 -2.441 -7.231 -0.765 1.00 0.00 C ATOM 329 CG GLU A 71 -2.349 -8.534 -0.001 1.00 0.00 C ATOM 330 CD GLU A 71 -1.894 -9.694 -0.861 1.00 0.00 C ATOM 331 OE1 GLU A 71 -2.755 -10.371 -1.464 1.00 0.00 O ATOM 332 OE2 GLU A 71 -0.674 -9.944 -0.928 1.00 0.00 O ATOM 0 H GLU A 71 -4.981 -6.641 -0.486 1.00 0.00 H new ATOM 0 HA GLU A 71 -2.517 -6.070 1.025 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -3.050 -7.380 -1.657 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -1.446 -6.942 -1.103 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -1.656 -8.412 0.831 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -3.324 -8.767 0.427 1.00 0.00 H new ATOM 339 N TYR A 72 -1.707 -4.161 -0.357 1.00 0.00 N ATOM 340 CA TYR A 72 -1.419 -2.836 -0.866 1.00 0.00 C ATOM 341 C TYR A 72 -0.150 -2.811 -1.694 1.00 0.00 C ATOM 342 O TYR A 72 0.908 -3.255 -1.254 1.00 0.00 O ATOM 343 CB TYR A 72 -1.308 -1.832 0.279 1.00 0.00 C ATOM 344 CG TYR A 72 -2.642 -1.303 0.732 1.00 0.00 C ATOM 345 CD1 TYR A 72 -3.440 -0.588 -0.146 1.00 0.00 C ATOM 346 CD2 TYR A 72 -3.096 -1.504 2.030 1.00 0.00 C ATOM 347 CE1 TYR A 72 -4.661 -0.086 0.253 1.00 0.00 C ATOM 348 CE2 TYR A 72 -4.318 -1.005 2.441 1.00 0.00 C ATOM 349 CZ TYR A 72 -5.098 -0.293 1.546 1.00 0.00 C ATOM 350 OH TYR A 72 -6.320 0.205 1.940 1.00 0.00 O ATOM 0 H TYR A 72 -0.965 -4.564 0.215 1.00 0.00 H new ATOM 0 HA TYR A 72 -2.249 -2.555 -1.514 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -0.806 -2.306 1.123 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -0.681 -0.998 -0.037 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -3.101 -0.421 -1.158 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -2.485 -2.058 2.728 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -5.273 0.467 -0.444 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -4.661 -1.169 3.452 1.00 0.00 H new ATOM 0 HH TYR A 72 -6.481 -0.027 2.878 1.00 0.00 H new ATOM 360 N LEU A 73 -0.269 -2.281 -2.894 1.00 0.00 N ATOM 361 CA LEU A 73 0.872 -2.114 -3.765 1.00 0.00 C ATOM 362 C LEU A 73 1.631 -0.872 -3.338 1.00 0.00 C ATOM 363 O LEU A 73 1.148 0.254 -3.493 1.00 0.00 O ATOM 364 CB LEU A 73 0.422 -2.008 -5.222 1.00 0.00 C ATOM 365 CG LEU A 73 1.549 -1.953 -6.262 1.00 0.00 C ATOM 366 CD1 LEU A 73 2.460 -3.166 -6.140 1.00 0.00 C ATOM 367 CD2 LEU A 73 0.969 -1.858 -7.665 1.00 0.00 C ATOM 0 H LEU A 73 -1.152 -1.957 -3.289 1.00 0.00 H new ATOM 0 HA LEU A 73 1.527 -2.982 -3.688 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.216 -2.862 -5.449 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.192 -1.114 -5.330 1.00 0.00 H new ATOM 0 HG LEU A 73 2.147 -1.062 -6.072 1.00 0.00 H new ATOM 0 HD11 LEU A 73 3.251 -3.104 -6.888 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.903 -3.190 -5.144 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.880 -4.075 -6.300 1.00 0.00 H new ATOM 0 HD21 LEU A 73 1.780 -1.820 -8.392 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.347 -2.731 -7.861 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.364 -0.955 -7.748 1.00 0.00 H new ATOM 379 N VAL A 74 2.795 -1.083 -2.754 1.00 0.00 N ATOM 380 CA VAL A 74 3.594 0.009 -2.246 1.00 0.00 C ATOM 381 C VAL A 74 4.712 0.339 -3.219 1.00 0.00 C ATOM 382 O VAL A 74 5.505 -0.528 -3.589 1.00 0.00 O ATOM 383 CB VAL A 74 4.194 -0.320 -0.863 1.00 0.00 C ATOM 384 CG1 VAL A 74 4.969 0.866 -0.318 1.00 0.00 C ATOM 385 CG2 VAL A 74 3.105 -0.741 0.115 1.00 0.00 C ATOM 0 H VAL A 74 3.207 -2.006 -2.621 1.00 0.00 H new ATOM 0 HA VAL A 74 2.937 0.872 -2.136 1.00 0.00 H new ATOM 0 HB VAL A 74 4.884 -1.155 -0.985 1.00 0.00 H new ATOM 0 HG11 VAL A 74 5.383 0.612 0.658 1.00 0.00 H new ATOM 0 HG12 VAL A 74 5.779 1.117 -1.003 1.00 0.00 H new ATOM 0 HG13 VAL A 74 4.301 1.722 -0.217 1.00 0.00 H new ATOM 0 HG21 VAL A 74 3.553 -0.968 1.083 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.385 0.070 0.229 1.00 0.00 H new ATOM 0 HG23 VAL A 74 2.596 -1.627 -0.266 1.00 0.00 H new ATOM 395 N LYS A 75 4.762 1.590 -3.641 1.00 0.00 N ATOM 396 CA LYS A 75 5.789 2.039 -4.561 1.00 0.00 C ATOM 397 C LYS A 75 7.035 2.446 -3.792 1.00 0.00 C ATOM 398 O LYS A 75 7.007 3.392 -3.008 1.00 0.00 O ATOM 399 CB LYS A 75 5.284 3.217 -5.395 1.00 0.00 C ATOM 400 CG LYS A 75 6.335 3.782 -6.339 1.00 0.00 C ATOM 401 CD LYS A 75 6.676 2.810 -7.458 1.00 0.00 C ATOM 402 CE LYS A 75 5.613 2.819 -8.544 1.00 0.00 C ATOM 403 NZ LYS A 75 5.470 4.161 -9.169 1.00 0.00 N ATOM 0 H LYS A 75 4.101 2.314 -3.360 1.00 0.00 H new ATOM 0 HA LYS A 75 6.036 1.217 -5.233 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.419 2.897 -5.976 1.00 0.00 H new ATOM 0 HB3 LYS A 75 4.944 4.008 -4.726 1.00 0.00 H new ATOM 0 HG2 LYS A 75 5.973 4.716 -6.768 1.00 0.00 H new ATOM 0 HG3 LYS A 75 7.238 4.019 -5.776 1.00 0.00 H new ATOM 0 HD2 LYS A 75 7.641 3.074 -7.890 1.00 0.00 H new ATOM 0 HD3 LYS A 75 6.774 1.804 -7.051 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.870 2.087 -9.310 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.657 2.513 -8.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.455 4.062 -10.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.583 4.600 -8.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 6.273 4.761 -8.890 1.00 0.00 H new ATOM 417 N TRP A 76 8.117 1.719 -4.000 1.00 0.00 N ATOM 418 CA TRP A 76 9.384 2.044 -3.368 1.00 0.00 C ATOM 419 C TRP A 76 10.252 2.815 -4.356 1.00 0.00 C ATOM 420 O TRP A 76 10.397 2.402 -5.506 1.00 0.00 O ATOM 421 CB TRP A 76 10.089 0.772 -2.893 1.00 0.00 C ATOM 422 CG TRP A 76 9.255 -0.058 -1.958 1.00 0.00 C ATOM 423 CD1 TRP A 76 8.254 -0.921 -2.297 1.00 0.00 C ATOM 424 CD2 TRP A 76 9.354 -0.103 -0.530 1.00 0.00 C ATOM 425 NE1 TRP A 76 7.715 -1.487 -1.167 1.00 0.00 N ATOM 426 CE2 TRP A 76 8.375 -1.002 -0.070 1.00 0.00 C ATOM 427 CE3 TRP A 76 10.170 0.531 0.403 1.00 0.00 C ATOM 428 CZ2 TRP A 76 8.196 -1.277 1.282 1.00 0.00 C ATOM 429 CZ3 TRP A 76 9.995 0.258 1.744 1.00 0.00 C ATOM 430 CH2 TRP A 76 9.013 -0.640 2.174 1.00 0.00 C ATOM 0 H TRP A 76 8.145 0.897 -4.603 1.00 0.00 H new ATOM 0 HA TRP A 76 9.205 2.667 -2.492 1.00 0.00 H new ATOM 0 HB2 TRP A 76 10.358 0.169 -3.760 1.00 0.00 H new ATOM 0 HB3 TRP A 76 11.019 1.045 -2.394 1.00 0.00 H new ATOM 0 HD1 TRP A 76 7.932 -1.129 -3.307 1.00 0.00 H new ATOM 0 HE1 TRP A 76 6.948 -2.159 -1.148 1.00 0.00 H new ATOM 0 HE3 TRP A 76 10.930 1.227 0.081 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 7.438 -1.970 1.615 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 10.626 0.745 2.473 1.00 0.00 H new ATOM 0 HH2 TRP A 76 8.898 -0.834 3.230 1.00 0.00 H new ATOM 441 N THR A 77 10.816 3.929 -3.909 1.00 0.00 N ATOM 442 CA THR A 77 11.434 4.902 -4.811 1.00 0.00 C ATOM 443 C THR A 77 12.498 4.296 -5.742 1.00 0.00 C ATOM 444 O THR A 77 12.446 4.500 -6.957 1.00 0.00 O ATOM 445 CB THR A 77 12.017 6.099 -4.015 1.00 0.00 C ATOM 446 OG1 THR A 77 12.554 7.077 -4.910 1.00 0.00 O ATOM 447 CG2 THR A 77 13.089 5.660 -3.025 1.00 0.00 C ATOM 0 H THR A 77 10.860 4.186 -2.923 1.00 0.00 H new ATOM 0 HA THR A 77 10.634 5.258 -5.461 1.00 0.00 H new ATOM 0 HB THR A 77 11.198 6.537 -3.445 1.00 0.00 H new ATOM 0 HG1 THR A 77 11.823 7.598 -5.303 1.00 0.00 H new ATOM 0 HG21 THR A 77 13.469 6.531 -2.490 1.00 0.00 H new ATOM 0 HG22 THR A 77 12.660 4.955 -2.313 1.00 0.00 H new ATOM 0 HG23 THR A 77 13.906 5.180 -3.563 1.00 0.00 H new ATOM 455 N ASP A 78 13.441 3.549 -5.184 1.00 0.00 N ATOM 456 CA ASP A 78 14.501 2.935 -5.982 1.00 0.00 C ATOM 457 C ASP A 78 14.138 1.491 -6.318 1.00 0.00 C ATOM 458 O ASP A 78 14.981 0.698 -6.729 1.00 0.00 O ATOM 459 CB ASP A 78 15.831 2.991 -5.226 1.00 0.00 C ATOM 460 CG ASP A 78 17.032 2.991 -6.156 1.00 0.00 C ATOM 461 OD1 ASP A 78 17.436 4.085 -6.608 1.00 0.00 O ATOM 462 OD2 ASP A 78 17.592 1.909 -6.431 1.00 0.00 O ATOM 0 H ASP A 78 13.496 3.352 -4.185 1.00 0.00 H new ATOM 0 HA ASP A 78 14.608 3.491 -6.913 1.00 0.00 H new ATOM 0 HB2 ASP A 78 15.855 3.888 -4.607 1.00 0.00 H new ATOM 0 HB3 ASP A 78 15.898 2.137 -4.552 1.00 0.00 H new ATOM 467 N MET A 79 12.865 1.170 -6.154 1.00 0.00 N ATOM 468 CA MET A 79 12.381 -0.196 -6.274 1.00 0.00 C ATOM 469 C MET A 79 11.112 -0.222 -7.124 1.00 0.00 C ATOM 470 O MET A 79 10.130 -0.869 -6.766 1.00 0.00 O ATOM 471 CB MET A 79 12.123 -0.796 -4.891 1.00 0.00 C ATOM 472 CG MET A 79 12.065 -2.317 -4.873 1.00 0.00 C ATOM 473 SD MET A 79 13.663 -3.075 -5.240 1.00 0.00 S ATOM 474 CE MET A 79 14.680 -2.395 -3.930 1.00 0.00 C ATOM 0 H MET A 79 12.137 1.850 -5.934 1.00 0.00 H new ATOM 0 HA MET A 79 13.142 -0.802 -6.766 1.00 0.00 H new ATOM 0 HB2 MET A 79 12.908 -0.465 -4.211 1.00 0.00 H new ATOM 0 HB3 MET A 79 11.182 -0.403 -4.506 1.00 0.00 H new ATOM 0 HG2 MET A 79 11.724 -2.653 -3.894 1.00 0.00 H new ATOM 0 HG3 MET A 79 11.329 -2.658 -5.601 1.00 0.00 H new ATOM 0 HE1 MET A 79 15.584 -2.995 -3.822 1.00 0.00 H new ATOM 0 HE2 MET A 79 14.953 -1.369 -4.177 1.00 0.00 H new ATOM 0 HE3 MET A 79 14.123 -2.407 -2.993 1.00 0.00 H new ATOM 484 N SER A 80 11.127 0.582 -8.195 1.00 0.00 N ATOM 485 CA SER A 80 9.997 0.743 -9.125 1.00 0.00 C ATOM 486 C SER A 80 9.292 -0.583 -9.467 1.00 0.00 C ATOM 487 O SER A 80 8.126 -0.584 -9.864 1.00 0.00 O ATOM 488 CB SER A 80 10.506 1.399 -10.407 1.00 0.00 C ATOM 489 OG SER A 80 11.332 2.515 -10.112 1.00 0.00 O ATOM 0 H SER A 80 11.937 1.149 -8.445 1.00 0.00 H new ATOM 0 HA SER A 80 9.254 1.368 -8.629 1.00 0.00 H new ATOM 0 HB2 SER A 80 11.067 0.672 -10.994 1.00 0.00 H new ATOM 0 HB3 SER A 80 9.661 1.718 -11.017 1.00 0.00 H new ATOM 0 HG SER A 80 11.648 2.918 -10.948 1.00 0.00 H new ATOM 495 N ASP A 81 10.000 -1.699 -9.324 1.00 0.00 N ATOM 496 CA ASP A 81 9.416 -3.039 -9.433 1.00 0.00 C ATOM 497 C ASP A 81 8.537 -3.347 -8.211 1.00 0.00 C ATOM 498 O ASP A 81 8.582 -4.444 -7.656 1.00 0.00 O ATOM 499 CB ASP A 81 10.518 -4.096 -9.596 1.00 0.00 C ATOM 500 CG ASP A 81 11.533 -4.086 -8.470 1.00 0.00 C ATOM 501 OD1 ASP A 81 12.316 -3.114 -8.373 1.00 0.00 O ATOM 502 OD2 ASP A 81 11.576 -5.063 -7.693 1.00 0.00 O ATOM 0 H ASP A 81 11.001 -1.703 -9.128 1.00 0.00 H new ATOM 0 HA ASP A 81 8.784 -3.069 -10.320 1.00 0.00 H new ATOM 0 HB2 ASP A 81 10.059 -5.083 -9.653 1.00 0.00 H new ATOM 0 HB3 ASP A 81 11.034 -3.930 -10.542 1.00 0.00 H new ATOM 507 N ALA A 82 7.752 -2.343 -7.814 1.00 0.00 N ATOM 508 CA ALA A 82 6.996 -2.317 -6.560 1.00 0.00 C ATOM 509 C ALA A 82 6.287 -3.630 -6.230 1.00 0.00 C ATOM 510 O ALA A 82 5.871 -4.385 -7.112 1.00 0.00 O ATOM 511 CB ALA A 82 5.982 -1.190 -6.615 1.00 0.00 C ATOM 0 H ALA A 82 7.621 -1.500 -8.373 1.00 0.00 H new ATOM 0 HA ALA A 82 7.722 -2.159 -5.763 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.415 -1.165 -5.684 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.500 -0.241 -6.750 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.301 -1.354 -7.450 1.00 0.00 H new ATOM 517 N THR A 83 6.126 -3.854 -4.935 1.00 0.00 N ATOM 518 CA THR A 83 5.616 -5.107 -4.406 1.00 0.00 C ATOM 519 C THR A 83 4.356 -4.881 -3.570 1.00 0.00 C ATOM 520 O THR A 83 4.153 -3.798 -3.010 1.00 0.00 O ATOM 521 CB THR A 83 6.709 -5.802 -3.556 1.00 0.00 C ATOM 522 OG1 THR A 83 6.149 -6.844 -2.749 1.00 0.00 O ATOM 523 CG2 THR A 83 7.434 -4.799 -2.666 1.00 0.00 C ATOM 0 H THR A 83 6.348 -3.165 -4.217 1.00 0.00 H new ATOM 0 HA THR A 83 5.350 -5.751 -5.244 1.00 0.00 H new ATOM 0 HB THR A 83 7.427 -6.240 -4.249 1.00 0.00 H new ATOM 0 HG1 THR A 83 5.837 -6.468 -1.899 1.00 0.00 H new ATOM 0 HG21 THR A 83 8.195 -5.315 -2.081 1.00 0.00 H new ATOM 0 HG22 THR A 83 7.907 -4.038 -3.286 1.00 0.00 H new ATOM 0 HG23 THR A 83 6.719 -4.326 -1.993 1.00 0.00 H new ATOM 531 N TRP A 84 3.506 -5.902 -3.505 1.00 0.00 N ATOM 532 CA TRP A 84 2.284 -5.835 -2.719 1.00 0.00 C ATOM 533 C TRP A 84 2.572 -6.225 -1.278 1.00 0.00 C ATOM 534 O TRP A 84 2.765 -7.405 -0.969 1.00 0.00 O ATOM 535 CB TRP A 84 1.215 -6.765 -3.302 1.00 0.00 C ATOM 536 CG TRP A 84 0.697 -6.323 -4.636 1.00 0.00 C ATOM 537 CD1 TRP A 84 1.255 -6.561 -5.860 1.00 0.00 C ATOM 538 CD2 TRP A 84 -0.495 -5.567 -4.879 1.00 0.00 C ATOM 539 NE1 TRP A 84 0.488 -5.985 -6.846 1.00 0.00 N ATOM 540 CE2 TRP A 84 -0.592 -5.373 -6.270 1.00 0.00 C ATOM 541 CE3 TRP A 84 -1.487 -5.031 -4.055 1.00 0.00 C ATOM 542 CZ2 TRP A 84 -1.641 -4.668 -6.852 1.00 0.00 C ATOM 543 CZ3 TRP A 84 -2.527 -4.332 -4.633 1.00 0.00 C ATOM 544 CH2 TRP A 84 -2.598 -4.157 -6.021 1.00 0.00 C ATOM 0 H TRP A 84 3.645 -6.788 -3.991 1.00 0.00 H new ATOM 0 HA TRP A 84 1.911 -4.811 -2.749 1.00 0.00 H new ATOM 0 HB2 TRP A 84 1.631 -7.768 -3.398 1.00 0.00 H new ATOM 0 HB3 TRP A 84 0.382 -6.831 -2.602 1.00 0.00 H new ATOM 0 HD1 TRP A 84 2.164 -7.119 -6.029 1.00 0.00 H new ATOM 0 HE1 TRP A 84 0.691 -6.010 -7.845 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -1.441 -5.161 -2.984 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -1.697 -4.530 -7.922 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -3.299 -3.913 -4.005 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -3.426 -3.607 -6.443 1.00 0.00 H new ATOM 555 N GLU A 85 2.602 -5.237 -0.402 1.00 0.00 N ATOM 556 CA GLU A 85 2.871 -5.474 1.001 1.00 0.00 C ATOM 557 C GLU A 85 1.566 -5.657 1.773 1.00 0.00 C ATOM 558 O GLU A 85 0.515 -5.154 1.368 1.00 0.00 O ATOM 559 CB GLU A 85 3.664 -4.304 1.589 1.00 0.00 C ATOM 560 CG GLU A 85 5.015 -4.068 0.928 1.00 0.00 C ATOM 561 CD GLU A 85 5.857 -5.328 0.858 1.00 0.00 C ATOM 562 OE1 GLU A 85 6.477 -5.686 1.877 1.00 0.00 O ATOM 563 OE2 GLU A 85 5.902 -5.967 -0.213 1.00 0.00 O ATOM 0 H GLU A 85 2.442 -4.258 -0.641 1.00 0.00 H new ATOM 0 HA GLU A 85 3.461 -6.386 1.091 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.067 -3.396 1.503 1.00 0.00 H new ATOM 0 HB3 GLU A 85 3.820 -4.484 2.653 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.860 -3.682 -0.080 1.00 0.00 H new ATOM 0 HG3 GLU A 85 5.558 -3.303 1.482 1.00 0.00 H new ATOM 570 N PRO A 86 1.617 -6.407 2.883 1.00 0.00 N ATOM 571 CA PRO A 86 0.479 -6.578 3.785 1.00 0.00 C ATOM 572 C PRO A 86 0.326 -5.381 4.724 1.00 0.00 C ATOM 573 O PRO A 86 1.311 -4.752 5.110 1.00 0.00 O ATOM 574 CB PRO A 86 0.853 -7.839 4.563 1.00 0.00 C ATOM 575 CG PRO A 86 2.343 -7.816 4.615 1.00 0.00 C ATOM 576 CD PRO A 86 2.799 -7.165 3.337 1.00 0.00 C ATOM 0 HA PRO A 86 -0.474 -6.655 3.262 1.00 0.00 H new ATOM 0 HB2 PRO A 86 0.421 -7.831 5.564 1.00 0.00 H new ATOM 0 HB3 PRO A 86 0.487 -8.736 4.064 1.00 0.00 H new ATOM 0 HG2 PRO A 86 2.693 -7.257 5.483 1.00 0.00 H new ATOM 0 HG3 PRO A 86 2.745 -8.825 4.702 1.00 0.00 H new ATOM 0 HD2 PRO A 86 3.653 -6.509 3.505 1.00 0.00 H new ATOM 0 HD3 PRO A 86 3.106 -7.906 2.599 1.00 0.00 H new ATOM 584 N GLN A 87 -0.930 -5.085 5.064 1.00 0.00 N ATOM 585 CA GLN A 87 -1.324 -3.885 5.819 1.00 0.00 C ATOM 586 C GLN A 87 -0.458 -3.618 7.051 1.00 0.00 C ATOM 587 O GLN A 87 -0.229 -2.461 7.403 1.00 0.00 O ATOM 588 CB GLN A 87 -2.788 -4.001 6.253 1.00 0.00 C ATOM 589 CG GLN A 87 -3.785 -3.933 5.109 1.00 0.00 C ATOM 590 CD GLN A 87 -5.195 -4.275 5.556 1.00 0.00 C ATOM 591 OE1 GLN A 87 -5.611 -5.433 5.502 1.00 0.00 O ATOM 592 NE2 GLN A 87 -5.936 -3.282 6.024 1.00 0.00 N ATOM 0 H GLN A 87 -1.720 -5.682 4.819 1.00 0.00 H new ATOM 0 HA GLN A 87 -1.181 -3.043 5.142 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -2.924 -4.944 6.783 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -3.010 -3.202 6.961 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -3.775 -2.931 4.679 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -3.479 -4.621 4.321 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -5.559 -2.335 6.054 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -6.884 -3.465 6.354 1.00 0.00 H new ATOM 601 N ASP A 88 0.001 -4.677 7.712 1.00 0.00 N ATOM 602 CA ASP A 88 0.821 -4.530 8.918 1.00 0.00 C ATOM 603 C ASP A 88 2.214 -4.010 8.574 1.00 0.00 C ATOM 604 O ASP A 88 2.862 -3.344 9.384 1.00 0.00 O ATOM 605 CB ASP A 88 0.936 -5.863 9.672 1.00 0.00 C ATOM 606 CG ASP A 88 -0.352 -6.267 10.366 1.00 0.00 C ATOM 607 OD1 ASP A 88 -1.264 -6.780 9.684 1.00 0.00 O ATOM 608 OD2 ASP A 88 -0.454 -6.083 11.600 1.00 0.00 O ATOM 0 H ASP A 88 -0.178 -5.643 7.437 1.00 0.00 H new ATOM 0 HA ASP A 88 0.326 -3.804 9.563 1.00 0.00 H new ATOM 0 HB2 ASP A 88 1.225 -6.646 8.971 1.00 0.00 H new ATOM 0 HB3 ASP A 88 1.732 -5.787 10.412 1.00 0.00 H new ATOM 613 N ASN A 89 2.671 -4.319 7.366 1.00 0.00 N ATOM 614 CA ASN A 89 3.981 -3.878 6.900 1.00 0.00 C ATOM 615 C ASN A 89 3.846 -2.567 6.131 1.00 0.00 C ATOM 616 O ASN A 89 4.742 -1.718 6.157 1.00 0.00 O ATOM 617 CB ASN A 89 4.614 -4.950 6.005 1.00 0.00 C ATOM 618 CG ASN A 89 6.022 -4.595 5.558 1.00 0.00 C ATOM 619 OD1 ASN A 89 6.998 -4.872 6.255 1.00 0.00 O ATOM 620 ND2 ASN A 89 6.140 -3.999 4.383 1.00 0.00 N ATOM 0 H ASN A 89 2.151 -4.876 6.688 1.00 0.00 H new ATOM 0 HA ASN A 89 4.626 -3.718 7.764 1.00 0.00 H new ATOM 0 HB2 ASN A 89 4.638 -5.897 6.544 1.00 0.00 H new ATOM 0 HB3 ASN A 89 3.986 -5.099 5.126 1.00 0.00 H new ATOM 0 HD21 ASN A 89 7.063 -3.753 4.026 1.00 0.00 H new ATOM 0 HD22 ASN A 89 5.308 -3.785 3.834 1.00 0.00 H new ATOM 627 N VAL A 90 2.717 -2.414 5.449 1.00 0.00 N ATOM 628 CA VAL A 90 2.426 -1.206 4.692 1.00 0.00 C ATOM 629 C VAL A 90 2.414 0.007 5.614 1.00 0.00 C ATOM 630 O VAL A 90 1.711 0.020 6.624 1.00 0.00 O ATOM 631 CB VAL A 90 1.069 -1.311 3.962 1.00 0.00 C ATOM 632 CG1 VAL A 90 0.759 -0.032 3.209 1.00 0.00 C ATOM 633 CG2 VAL A 90 1.067 -2.481 3.004 1.00 0.00 C ATOM 0 H VAL A 90 1.982 -3.120 5.406 1.00 0.00 H new ATOM 0 HA VAL A 90 3.211 -1.089 3.945 1.00 0.00 H new ATOM 0 HB VAL A 90 0.298 -1.469 4.716 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.202 -0.131 2.703 1.00 0.00 H new ATOM 0 HG12 VAL A 90 0.716 0.802 3.910 1.00 0.00 H new ATOM 0 HG13 VAL A 90 1.540 0.154 2.471 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.102 -2.537 2.500 1.00 0.00 H new ATOM 0 HG22 VAL A 90 1.856 -2.346 2.264 1.00 0.00 H new ATOM 0 HG23 VAL A 90 1.242 -3.404 3.557 1.00 0.00 H new ATOM 643 N ASP A 91 3.220 1.005 5.271 1.00 0.00 N ATOM 644 CA ASP A 91 3.310 2.232 6.053 1.00 0.00 C ATOM 645 C ASP A 91 1.933 2.872 6.212 1.00 0.00 C ATOM 646 O ASP A 91 1.232 3.128 5.228 1.00 0.00 O ATOM 647 CB ASP A 91 4.274 3.214 5.388 1.00 0.00 C ATOM 648 CG ASP A 91 4.478 4.467 6.212 1.00 0.00 C ATOM 649 OD1 ASP A 91 3.688 5.415 6.063 1.00 0.00 O ATOM 650 OD2 ASP A 91 5.428 4.501 7.024 1.00 0.00 O ATOM 0 H ASP A 91 3.825 0.987 4.450 1.00 0.00 H new ATOM 0 HA ASP A 91 3.690 1.981 7.043 1.00 0.00 H new ATOM 0 HB2 ASP A 91 5.235 2.725 5.230 1.00 0.00 H new ATOM 0 HB3 ASP A 91 3.890 3.487 4.405 1.00 0.00 H new ATOM 655 N SER A 92 1.560 3.135 7.456 1.00 0.00 N ATOM 656 CA SER A 92 0.224 3.616 7.773 1.00 0.00 C ATOM 657 C SER A 92 0.051 5.072 7.356 1.00 0.00 C ATOM 658 O SER A 92 -1.062 5.516 7.073 1.00 0.00 O ATOM 659 CB SER A 92 -0.056 3.461 9.269 1.00 0.00 C ATOM 660 OG SER A 92 0.071 2.108 9.689 1.00 0.00 O ATOM 0 H SER A 92 2.169 3.022 8.267 1.00 0.00 H new ATOM 0 HA SER A 92 -0.492 3.014 7.213 1.00 0.00 H new ATOM 0 HB2 SER A 92 0.636 4.085 9.836 1.00 0.00 H new ATOM 0 HB3 SER A 92 -1.062 3.818 9.490 1.00 0.00 H new ATOM 0 HG SER A 92 -0.113 2.045 10.650 1.00 0.00 H new ATOM 666 N THR A 93 1.153 5.803 7.299 1.00 0.00 N ATOM 667 CA THR A 93 1.119 7.203 6.912 1.00 0.00 C ATOM 668 C THR A 93 0.718 7.313 5.449 1.00 0.00 C ATOM 669 O THR A 93 -0.124 8.130 5.072 1.00 0.00 O ATOM 670 CB THR A 93 2.496 7.865 7.110 1.00 0.00 C ATOM 671 OG1 THR A 93 3.050 7.464 8.367 1.00 0.00 O ATOM 672 CG2 THR A 93 2.386 9.382 7.058 1.00 0.00 C ATOM 0 H THR A 93 2.084 5.448 7.517 1.00 0.00 H new ATOM 0 HA THR A 93 0.393 7.716 7.542 1.00 0.00 H new ATOM 0 HB THR A 93 3.150 7.541 6.301 1.00 0.00 H new ATOM 0 HG1 THR A 93 3.926 7.886 8.488 1.00 0.00 H new ATOM 0 HG21 THR A 93 3.372 9.823 7.201 1.00 0.00 H new ATOM 0 HG22 THR A 93 1.989 9.685 6.089 1.00 0.00 H new ATOM 0 HG23 THR A 93 1.717 9.726 7.847 1.00 0.00 H new ATOM 680 N LEU A 94 1.319 6.455 4.640 1.00 0.00 N ATOM 681 CA LEU A 94 1.051 6.420 3.219 1.00 0.00 C ATOM 682 C LEU A 94 -0.307 5.795 2.957 1.00 0.00 C ATOM 683 O LEU A 94 -1.088 6.292 2.157 1.00 0.00 O ATOM 684 CB LEU A 94 2.141 5.623 2.506 1.00 0.00 C ATOM 685 CG LEU A 94 3.568 6.060 2.832 1.00 0.00 C ATOM 686 CD1 LEU A 94 4.565 5.083 2.242 1.00 0.00 C ATOM 687 CD2 LEU A 94 3.826 7.468 2.321 1.00 0.00 C ATOM 0 H LEU A 94 2.004 5.767 4.953 1.00 0.00 H new ATOM 0 HA LEU A 94 1.046 7.440 2.835 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.030 4.570 2.764 1.00 0.00 H new ATOM 0 HB3 LEU A 94 1.987 5.705 1.430 1.00 0.00 H new ATOM 0 HG LEU A 94 3.691 6.065 3.915 1.00 0.00 H new ATOM 0 HD11 LEU A 94 5.578 5.407 2.482 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.393 4.091 2.659 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.443 5.047 1.159 1.00 0.00 H new ATOM 0 HD21 LEU A 94 4.848 7.761 2.563 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.687 7.494 1.240 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.129 8.160 2.793 1.00 0.00 H new ATOM 699 N VAL A 95 -0.613 4.710 3.643 1.00 0.00 N ATOM 700 CA VAL A 95 -1.874 4.040 3.397 1.00 0.00 C ATOM 701 C VAL A 95 -3.039 4.960 3.746 1.00 0.00 C ATOM 702 O VAL A 95 -4.050 4.981 3.046 1.00 0.00 O ATOM 703 CB VAL A 95 -1.987 2.687 4.145 1.00 0.00 C ATOM 704 CG1 VAL A 95 -2.492 2.844 5.568 1.00 0.00 C ATOM 705 CG2 VAL A 95 -2.876 1.738 3.374 1.00 0.00 C ATOM 0 H VAL A 95 -0.023 4.283 4.357 1.00 0.00 H new ATOM 0 HA VAL A 95 -1.914 3.807 2.333 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.981 2.273 4.211 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.551 1.865 6.043 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.807 3.479 6.129 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.481 3.301 5.555 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.948 0.791 3.909 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -3.870 2.173 3.271 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -2.452 1.565 2.385 1.00 0.00 H new ATOM 715 N LEU A 96 -2.866 5.771 4.788 1.00 0.00 N ATOM 716 CA LEU A 96 -3.887 6.728 5.179 1.00 0.00 C ATOM 717 C LEU A 96 -4.154 7.713 4.043 1.00 0.00 C ATOM 718 O LEU A 96 -5.293 8.130 3.831 1.00 0.00 O ATOM 719 CB LEU A 96 -3.469 7.482 6.446 1.00 0.00 C ATOM 720 CG LEU A 96 -4.534 8.416 7.032 1.00 0.00 C ATOM 721 CD1 LEU A 96 -5.786 7.635 7.405 1.00 0.00 C ATOM 722 CD2 LEU A 96 -3.982 9.148 8.243 1.00 0.00 C ATOM 0 H LEU A 96 -2.030 5.781 5.372 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.805 6.180 5.392 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -3.189 6.754 7.207 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -2.578 8.068 6.223 1.00 0.00 H new ATOM 0 HG LEU A 96 -4.804 9.151 6.274 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -6.530 8.316 7.819 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -6.192 7.152 6.516 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.535 6.877 8.147 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -4.748 9.808 8.650 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -3.686 8.424 9.002 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -3.115 9.738 7.947 1.00 0.00 H new ATOM 734 N LEU A 97 -3.114 8.045 3.275 1.00 0.00 N ATOM 735 CA LEU A 97 -3.270 9.000 2.190 1.00 0.00 C ATOM 736 C LEU A 97 -3.919 8.326 0.992 1.00 0.00 C ATOM 737 O LEU A 97 -4.482 8.986 0.122 1.00 0.00 O ATOM 738 CB LEU A 97 -1.941 9.705 1.847 1.00 0.00 C ATOM 739 CG LEU A 97 -0.803 8.855 1.291 1.00 0.00 C ATOM 740 CD1 LEU A 97 -1.099 8.445 -0.132 1.00 0.00 C ATOM 741 CD2 LEU A 97 0.516 9.608 1.370 1.00 0.00 C ATOM 0 H LEU A 97 -2.172 7.671 3.386 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.940 9.796 2.517 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -2.157 10.490 1.122 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.580 10.196 2.751 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.717 7.954 1.898 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.278 7.839 -0.514 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.021 7.865 -0.159 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -1.212 9.335 -0.751 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.315 8.985 0.969 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.446 10.527 0.788 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.734 9.852 2.410 1.00 0.00 H new ATOM 753 N TYR A 98 -3.866 7.000 0.973 1.00 0.00 N ATOM 754 CA TYR A 98 -4.572 6.237 -0.040 1.00 0.00 C ATOM 755 C TYR A 98 -6.046 6.179 0.338 1.00 0.00 C ATOM 756 O TYR A 98 -6.927 6.199 -0.518 1.00 0.00 O ATOM 757 CB TYR A 98 -4.001 4.822 -0.166 1.00 0.00 C ATOM 758 CG TYR A 98 -4.587 4.040 -1.318 1.00 0.00 C ATOM 759 CD1 TYR A 98 -5.738 3.277 -1.157 1.00 0.00 C ATOM 760 CD2 TYR A 98 -3.994 4.073 -2.571 1.00 0.00 C ATOM 761 CE1 TYR A 98 -6.278 2.569 -2.215 1.00 0.00 C ATOM 762 CE2 TYR A 98 -4.525 3.368 -3.630 1.00 0.00 C ATOM 763 CZ TYR A 98 -5.666 2.618 -3.450 1.00 0.00 C ATOM 764 OH TYR A 98 -6.199 1.918 -4.510 1.00 0.00 O ATOM 0 H TYR A 98 -3.344 6.437 1.644 1.00 0.00 H new ATOM 0 HA TYR A 98 -4.450 6.726 -1.007 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -2.920 4.884 -0.291 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -4.184 4.280 0.762 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -6.218 3.237 -0.190 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -3.101 4.661 -2.720 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -7.173 1.981 -2.075 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -4.048 3.404 -4.598 1.00 0.00 H new ATOM 0 HH TYR A 98 -5.647 2.061 -5.307 1.00 0.00 H new ATOM 774 N GLN A 99 -6.299 6.124 1.640 1.00 0.00 N ATOM 775 CA GLN A 99 -7.658 6.160 2.162 1.00 0.00 C ATOM 776 C GLN A 99 -8.249 7.553 1.998 1.00 0.00 C ATOM 777 O GLN A 99 -9.463 7.717 1.951 1.00 0.00 O ATOM 778 CB GLN A 99 -7.677 5.752 3.633 1.00 0.00 C ATOM 779 CG GLN A 99 -7.099 4.368 3.876 1.00 0.00 C ATOM 780 CD GLN A 99 -7.112 3.970 5.336 1.00 0.00 C ATOM 781 OE1 GLN A 99 -7.989 4.371 6.098 1.00 0.00 O ATOM 782 NE2 GLN A 99 -6.133 3.178 5.730 1.00 0.00 N ATOM 0 H GLN A 99 -5.576 6.054 2.356 1.00 0.00 H new ATOM 0 HA GLN A 99 -8.263 5.451 1.597 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -7.113 6.482 4.213 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -8.704 5.780 3.998 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -7.667 3.637 3.301 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -6.074 4.338 3.506 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -5.426 2.870 5.062 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -6.083 2.874 6.702 1.00 0.00 H new ATOM 791 N GLN A 100 -7.381 8.557 1.923 1.00 0.00 N ATOM 792 CA GLN A 100 -7.820 9.913 1.606 1.00 0.00 C ATOM 793 C GLN A 100 -8.361 9.966 0.178 1.00 0.00 C ATOM 794 O GLN A 100 -9.235 10.771 -0.140 1.00 0.00 O ATOM 795 CB GLN A 100 -6.677 10.924 1.775 1.00 0.00 C ATOM 796 CG GLN A 100 -6.103 10.983 3.184 1.00 0.00 C ATOM 797 CD GLN A 100 -7.151 11.292 4.236 1.00 0.00 C ATOM 798 OE1 GLN A 100 -7.413 12.454 4.548 1.00 0.00 O ATOM 799 NE2 GLN A 100 -7.750 10.252 4.797 1.00 0.00 N ATOM 0 H GLN A 100 -6.377 8.460 2.076 1.00 0.00 H new ATOM 0 HA GLN A 100 -8.613 10.183 2.303 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -5.877 10.672 1.079 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -7.039 11.915 1.500 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -5.630 10.029 3.419 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -5.323 11.743 3.221 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -7.503 9.305 4.509 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -8.458 10.398 5.517 1.00 0.00 H new ATOM 808 N GLN A 101 -7.841 9.083 -0.674 1.00 0.00 N ATOM 809 CA GLN A 101 -8.320 8.962 -2.051 1.00 0.00 C ATOM 810 C GLN A 101 -9.622 8.169 -2.084 1.00 0.00 C ATOM 811 O GLN A 101 -10.324 8.131 -3.096 1.00 0.00 O ATOM 812 CB GLN A 101 -7.283 8.254 -2.926 1.00 0.00 C ATOM 813 CG GLN A 101 -5.922 8.923 -2.948 1.00 0.00 C ATOM 814 CD GLN A 101 -4.937 8.183 -3.830 1.00 0.00 C ATOM 815 OE1 GLN A 101 -5.023 6.964 -3.999 1.00 0.00 O ATOM 816 NE2 GLN A 101 -3.999 8.911 -4.407 1.00 0.00 N ATOM 0 H GLN A 101 -7.087 8.440 -0.434 1.00 0.00 H new ATOM 0 HA GLN A 101 -8.489 9.966 -2.439 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -7.165 7.230 -2.572 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -7.663 8.198 -3.946 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -6.028 9.948 -3.304 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -5.529 8.977 -1.933 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -3.961 9.917 -4.243 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -3.313 8.468 -5.017 1.00 0.00 H new ATOM 825 N GLN A 102 -9.924 7.527 -0.970 1.00 0.00 N ATOM 826 CA GLN A 102 -11.126 6.731 -0.836 1.00 0.00 C ATOM 827 C GLN A 102 -12.238 7.550 -0.208 1.00 0.00 C ATOM 828 O GLN A 102 -12.015 8.274 0.762 1.00 0.00 O ATOM 829 CB GLN A 102 -10.842 5.493 0.017 1.00 0.00 C ATOM 830 CG GLN A 102 -10.143 4.385 -0.746 1.00 0.00 C ATOM 831 CD GLN A 102 -11.039 3.737 -1.786 1.00 0.00 C ATOM 832 OE1 GLN A 102 -12.322 3.613 -1.480 1.00 0.00 O flip ATOM 833 NE2 GLN A 102 -10.575 3.316 -2.844 1.00 0.00 N flip ATOM 0 H GLN A 102 -9.341 7.544 -0.133 1.00 0.00 H new ATOM 0 HA GLN A 102 -11.445 6.414 -1.829 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -10.227 5.781 0.869 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -11.782 5.112 0.416 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -9.257 4.789 -1.236 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -9.800 3.626 -0.043 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -9.582 3.429 -3.046 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -11.183 2.854 -3.520 1.00 0.00 H new ATOM 842 N PRO A 103 -13.447 7.469 -0.771 1.00 0.00 N ATOM 843 CA PRO A 103 -14.615 8.129 -0.203 1.00 0.00 C ATOM 844 C PRO A 103 -14.987 7.525 1.142 1.00 0.00 C ATOM 845 O PRO A 103 -15.510 6.412 1.206 1.00 0.00 O ATOM 846 CB PRO A 103 -15.725 7.882 -1.235 1.00 0.00 C ATOM 847 CG PRO A 103 -15.028 7.413 -2.469 1.00 0.00 C ATOM 848 CD PRO A 103 -13.770 6.741 -2.005 1.00 0.00 C ATOM 0 HA PRO A 103 -14.441 9.189 -0.017 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -16.434 7.135 -0.877 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -16.292 8.793 -1.427 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -15.655 6.721 -3.032 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -14.802 8.249 -3.131 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -13.924 5.678 -1.819 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -12.972 6.823 -2.743 1.00 0.00 H new ATOM 856 N MET A 104 -14.692 8.254 2.211 1.00 0.00 N ATOM 857 CA MET A 104 -15.012 7.809 3.562 1.00 0.00 C ATOM 858 C MET A 104 -16.518 7.647 3.690 1.00 0.00 C ATOM 859 O MET A 104 -17.018 6.726 4.339 1.00 0.00 O ATOM 860 CB MET A 104 -14.487 8.820 4.584 1.00 0.00 C ATOM 861 CG MET A 104 -14.680 8.388 6.030 1.00 0.00 C ATOM 862 SD MET A 104 -13.822 6.848 6.418 1.00 0.00 S ATOM 863 CE MET A 104 -12.117 7.330 6.134 1.00 0.00 C ATOM 0 H MET A 104 -14.229 9.162 2.168 1.00 0.00 H new ATOM 0 HA MET A 104 -14.534 6.849 3.757 1.00 0.00 H new ATOM 0 HB2 MET A 104 -13.425 8.987 4.403 1.00 0.00 H new ATOM 0 HB3 MET A 104 -14.991 9.774 4.429 1.00 0.00 H new ATOM 0 HG2 MET A 104 -14.320 9.176 6.691 1.00 0.00 H new ATOM 0 HG3 MET A 104 -15.745 8.266 6.229 1.00 0.00 H new ATOM 0 HE1 MET A 104 -11.451 6.609 6.608 1.00 0.00 H new ATOM 0 HE2 MET A 104 -11.920 7.356 5.062 1.00 0.00 H new ATOM 0 HE3 MET A 104 -11.943 8.319 6.559 1.00 0.00 H new ATOM 873 N ASN A 105 -17.228 8.559 3.050 1.00 0.00 N ATOM 874 CA ASN A 105 -18.669 8.466 2.902 1.00 0.00 C ATOM 875 C ASN A 105 -19.032 8.955 1.511 1.00 0.00 C ATOM 876 O ASN A 105 -19.557 8.206 0.690 1.00 0.00 O ATOM 877 CB ASN A 105 -19.394 9.299 3.963 1.00 0.00 C ATOM 878 CG ASN A 105 -20.896 9.078 3.939 1.00 0.00 C ATOM 879 OD1 ASN A 105 -21.367 7.990 3.607 1.00 0.00 O ATOM 880 ND2 ASN A 105 -21.659 10.108 4.270 1.00 0.00 N ATOM 0 H ASN A 105 -16.820 9.387 2.617 1.00 0.00 H new ATOM 0 HA ASN A 105 -18.981 7.430 3.037 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -19.007 9.044 4.950 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -19.181 10.356 3.800 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -22.675 10.016 4.255 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -21.231 10.994 4.540 1.00 0.00 H new ATOM 887 N GLU A 106 -18.712 10.216 1.256 1.00 0.00 N ATOM 888 CA GLU A 106 -18.882 10.815 -0.057 1.00 0.00 C ATOM 889 C GLU A 106 -17.774 11.841 -0.284 1.00 0.00 C ATOM 890 O GLU A 106 -16.748 11.489 -0.906 1.00 0.00 O ATOM 891 CB GLU A 106 -20.262 11.477 -0.167 1.00 0.00 C ATOM 892 CG GLU A 106 -20.551 12.092 -1.529 1.00 0.00 C ATOM 893 CD GLU A 106 -20.513 11.077 -2.652 1.00 0.00 C ATOM 894 OE1 GLU A 106 -21.496 10.325 -2.815 1.00 0.00 O ATOM 895 OE2 GLU A 106 -19.506 11.035 -3.386 1.00 0.00 O ATOM 896 OXT GLU A 106 -17.905 12.982 0.213 1.00 0.00 O ATOM 0 H GLU A 106 -18.327 10.851 1.955 1.00 0.00 H new ATOM 0 HA GLU A 106 -18.818 10.041 -0.822 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -21.028 10.734 0.054 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -20.342 12.253 0.594 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -21.532 12.566 -1.507 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -19.822 12.877 -1.730 1.00 0.00 H new TER 903 GLU A 106