USER MOD reduce.3.24.130724 H: found=0, std=0, add=450, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 451 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 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 116:sc= 0.0381 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -0.801 K(o=-0.8,f=-4.1!) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -0.0547 K(o=-0.055,f=-1.2) USER MOD Single : A 61 SER OG : rot -61:sc= 0.506 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.0115 X(o=-0.012,f=-0.012) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 CYS SG : rot 170:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 17 N GLU A 2 -13.308 -3.530 10.421 1.00 0.00 N ATOM 18 CA GLU A 2 -12.600 -4.795 10.154 1.00 0.00 C ATOM 19 C GLU A 2 -11.418 -4.580 9.203 1.00 0.00 C ATOM 20 O GLU A 2 -10.419 -5.286 9.260 1.00 0.00 O ATOM 21 CB GLU A 2 -13.538 -5.831 9.519 1.00 0.00 C ATOM 22 CG GLU A 2 -14.987 -5.814 10.032 1.00 0.00 C ATOM 23 CD GLU A 2 -15.113 -6.319 11.464 1.00 0.00 C ATOM 24 OE1 GLU A 2 -14.320 -7.211 11.837 1.00 0.00 O ATOM 25 OE2 GLU A 2 -15.919 -5.703 12.199 1.00 0.00 O ATOM 0 HA GLU A 2 -12.239 -5.160 11.116 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -13.551 -5.671 8.441 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -13.122 -6.824 9.689 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -15.376 -4.797 9.975 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -15.606 -6.429 9.379 1.00 0.00 H new ATOM 32 N CYS A 3 -11.481 -3.548 8.352 1.00 0.00 N ATOM 33 CA CYS A 3 -10.414 -3.210 7.402 1.00 0.00 C ATOM 34 C CYS A 3 -9.055 -3.113 8.109 1.00 0.00 C ATOM 35 O CYS A 3 -8.140 -3.891 7.837 1.00 0.00 O ATOM 36 CB CYS A 3 -10.774 -1.915 6.656 1.00 0.00 C ATOM 37 SG CYS A 3 -12.270 -2.241 5.707 1.00 0.00 S ATOM 0 H CYS A 3 -12.282 -2.918 8.303 1.00 0.00 H new ATOM 0 HA CYS A 3 -10.325 -4.009 6.666 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -10.936 -1.099 7.360 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -9.960 -1.612 5.998 1.00 0.00 H new ATOM 42 N VAL A 4 -8.962 -2.210 9.089 1.00 0.00 N ATOM 43 CA VAL A 4 -7.762 -2.043 9.918 1.00 0.00 C ATOM 44 C VAL A 4 -7.362 -3.326 10.649 1.00 0.00 C ATOM 45 O VAL A 4 -6.178 -3.585 10.805 1.00 0.00 O ATOM 46 CB VAL A 4 -7.956 -0.898 10.928 1.00 0.00 C ATOM 47 CG1 VAL A 4 -8.670 -1.350 12.217 1.00 0.00 C ATOM 48 CG2 VAL A 4 -6.599 -0.273 11.262 1.00 0.00 C ATOM 0 H VAL A 4 -9.719 -1.571 9.332 1.00 0.00 H new ATOM 0 HA VAL A 4 -6.947 -1.794 9.238 1.00 0.00 H new ATOM 0 HB VAL A 4 -8.603 -0.157 10.459 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -8.778 -0.500 12.890 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -9.656 -1.743 11.968 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -8.082 -2.127 12.705 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -6.738 0.538 11.977 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -5.946 -1.031 11.695 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -6.145 0.120 10.352 1.00 0.00 H new ATOM 58 N SER A 5 -8.346 -4.151 11.032 1.00 0.00 N ATOM 59 CA SER A 5 -8.141 -5.423 11.731 1.00 0.00 C ATOM 60 C SER A 5 -7.356 -6.405 10.862 1.00 0.00 C ATOM 61 O SER A 5 -6.561 -7.204 11.351 1.00 0.00 O ATOM 62 CB SER A 5 -9.493 -6.047 12.109 1.00 0.00 C ATOM 63 OG SER A 5 -9.317 -7.084 13.043 1.00 0.00 O ATOM 0 H SER A 5 -9.330 -3.945 10.859 1.00 0.00 H new ATOM 0 HA SER A 5 -7.568 -5.218 12.635 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.148 -5.282 12.526 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.983 -6.434 11.216 1.00 0.00 H new ATOM 0 HG SER A 5 -10.189 -7.468 13.273 1.00 0.00 H new ATOM 69 N LYS A 6 -7.541 -6.315 9.538 1.00 0.00 N ATOM 70 CA LYS A 6 -6.779 -7.103 8.572 1.00 0.00 C ATOM 71 C LYS A 6 -5.568 -6.373 8.012 1.00 0.00 C ATOM 72 O LYS A 6 -4.775 -7.018 7.339 1.00 0.00 O ATOM 73 CB LYS A 6 -7.722 -7.530 7.450 1.00 0.00 C ATOM 74 CG LYS A 6 -8.425 -8.855 7.753 1.00 0.00 C ATOM 75 CD LYS A 6 -7.645 -10.065 7.215 1.00 0.00 C ATOM 76 CE LYS A 6 -6.681 -10.592 8.281 1.00 0.00 C ATOM 77 NZ LYS A 6 -5.936 -11.778 7.802 1.00 0.00 N ATOM 0 H LYS A 6 -8.226 -5.691 9.110 1.00 0.00 H new ATOM 0 HA LYS A 6 -6.376 -7.972 9.092 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.470 -6.753 7.292 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -7.159 -7.624 6.522 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.553 -8.958 8.831 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -9.422 -8.844 7.313 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -8.339 -10.852 6.921 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -7.090 -9.780 6.321 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -5.978 -9.806 8.557 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -7.239 -10.851 9.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.292 -12.109 8.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -6.607 -12.536 7.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -5.385 -11.524 6.958 1.00 0.00 H new ATOM 91 N GLY A 7 -5.456 -5.069 8.253 1.00 0.00 N ATOM 92 CA GLY A 7 -4.382 -4.236 7.732 1.00 0.00 C ATOM 93 C GLY A 7 -4.654 -3.760 6.308 1.00 0.00 C ATOM 94 O GLY A 7 -3.719 -3.660 5.529 1.00 0.00 O ATOM 0 H GLY A 7 -6.124 -4.554 8.827 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.249 -3.371 8.382 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.448 -4.797 7.752 1.00 0.00 H new ATOM 98 N PHE A 8 -5.917 -3.504 5.945 1.00 0.00 N ATOM 99 CA PHE A 8 -6.294 -2.946 4.643 1.00 0.00 C ATOM 100 C PHE A 8 -6.103 -1.426 4.583 1.00 0.00 C ATOM 101 O PHE A 8 -5.924 -0.763 5.602 1.00 0.00 O ATOM 102 CB PHE A 8 -7.748 -3.306 4.320 1.00 0.00 C ATOM 103 CG PHE A 8 -7.895 -4.725 3.834 1.00 0.00 C ATOM 104 CD1 PHE A 8 -7.504 -5.059 2.527 1.00 0.00 C ATOM 105 CD2 PHE A 8 -8.401 -5.715 4.682 1.00 0.00 C ATOM 106 CE1 PHE A 8 -7.646 -6.378 2.055 1.00 0.00 C ATOM 107 CE2 PHE A 8 -8.492 -7.037 4.229 1.00 0.00 C ATOM 108 CZ PHE A 8 -8.144 -7.370 2.913 1.00 0.00 C ATOM 0 H PHE A 8 -6.715 -3.681 6.556 1.00 0.00 H new ATOM 0 HA PHE A 8 -5.631 -3.385 3.897 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -8.361 -3.165 5.210 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -8.128 -2.623 3.560 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -7.092 -4.299 1.880 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -8.720 -5.461 5.682 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -7.373 -6.624 1.039 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -8.834 -7.809 4.902 1.00 0.00 H new ATOM 0 HZ PHE A 8 -8.259 -8.385 2.561 1.00 0.00 H new ATOM 118 N GLY A 9 -6.206 -0.864 3.376 1.00 0.00 N ATOM 119 CA GLY A 9 -6.044 0.568 3.133 1.00 0.00 C ATOM 120 C GLY A 9 -7.334 1.200 2.651 1.00 0.00 C ATOM 121 O GLY A 9 -7.866 0.833 1.606 1.00 0.00 O ATOM 0 H GLY A 9 -6.407 -1.399 2.531 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -5.718 1.059 4.050 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -5.261 0.726 2.391 1.00 0.00 H new ATOM 125 N CYS A 10 -7.859 2.135 3.432 1.00 0.00 N ATOM 126 CA CYS A 10 -9.042 2.891 3.058 1.00 0.00 C ATOM 127 C CYS A 10 -8.760 3.888 1.963 1.00 0.00 C ATOM 128 O CYS A 10 -7.825 4.666 2.122 1.00 0.00 O ATOM 129 CB CYS A 10 -9.530 3.704 4.262 1.00 0.00 C ATOM 130 SG CYS A 10 -9.891 2.753 5.719 1.00 0.00 S ATOM 0 H CYS A 10 -7.475 2.389 4.342 1.00 0.00 H new ATOM 0 HA CYS A 10 -9.780 2.165 2.716 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -8.772 4.446 4.511 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -10.428 4.250 3.972 1.00 0.00 H new ATOM 135 N LEU A 11 -9.596 3.920 0.925 1.00 0.00 N ATOM 136 CA LEU A 11 -9.438 4.862 -0.177 1.00 0.00 C ATOM 137 C LEU A 11 -10.792 5.260 -0.763 1.00 0.00 C ATOM 138 O LEU A 11 -11.751 4.524 -0.617 1.00 0.00 O ATOM 139 CB LEU A 11 -8.552 4.218 -1.257 1.00 0.00 C ATOM 140 CG LEU A 11 -7.072 4.086 -0.854 1.00 0.00 C ATOM 141 CD1 LEU A 11 -6.317 3.320 -1.933 1.00 0.00 C ATOM 142 CD2 LEU A 11 -6.441 5.465 -0.627 1.00 0.00 C ATOM 0 H LEU A 11 -10.397 3.296 0.827 1.00 0.00 H new ATOM 0 HA LEU A 11 -8.965 5.771 0.196 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.944 3.228 -1.492 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.618 4.812 -2.169 1.00 0.00 H new ATOM 0 HG LEU A 11 -7.010 3.535 0.085 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.269 3.227 -1.647 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -6.752 2.327 -2.046 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -6.389 3.857 -2.879 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.395 5.344 -0.343 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.503 6.049 -1.545 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.976 5.983 0.169 1.00 0.00 H new ATOM 154 N PRO A 12 -10.922 6.414 -1.422 1.00 0.00 N ATOM 155 CA PRO A 12 -12.155 6.816 -2.087 1.00 0.00 C ATOM 156 C PRO A 12 -12.469 5.905 -3.263 1.00 0.00 C ATOM 157 O PRO A 12 -11.581 5.581 -4.033 1.00 0.00 O ATOM 158 CB PRO A 12 -11.939 8.275 -2.483 1.00 0.00 C ATOM 159 CG PRO A 12 -10.423 8.390 -2.605 1.00 0.00 C ATOM 160 CD PRO A 12 -9.879 7.399 -1.588 1.00 0.00 C ATOM 0 HA PRO A 12 -13.029 6.726 -1.442 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -12.437 8.514 -3.423 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -12.334 8.958 -1.731 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -10.087 8.148 -3.613 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -10.084 9.404 -2.391 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -8.956 6.939 -1.941 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -9.649 7.891 -0.643 1.00 0.00 H new ATOM 168 N GLN A 13 -13.742 5.542 -3.461 1.00 0.00 N ATOM 169 CA GLN A 13 -14.193 4.735 -4.617 1.00 0.00 C ATOM 170 C GLN A 13 -13.753 5.288 -5.980 1.00 0.00 C ATOM 171 O GLN A 13 -13.835 4.579 -6.979 1.00 0.00 O ATOM 172 CB GLN A 13 -15.726 4.711 -4.665 1.00 0.00 C ATOM 173 CG GLN A 13 -16.425 4.144 -3.430 1.00 0.00 C ATOM 174 CD GLN A 13 -17.929 4.320 -3.451 1.00 0.00 C ATOM 175 OE1 GLN A 13 -18.552 4.439 -4.490 1.00 0.00 O ATOM 176 NE2 GLN A 13 -18.542 4.295 -2.290 1.00 0.00 N ATOM 0 H GLN A 13 -14.497 5.798 -2.825 1.00 0.00 H new ATOM 0 HA GLN A 13 -13.743 3.754 -4.465 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -16.081 5.729 -4.824 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -16.034 4.127 -5.533 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -16.193 3.082 -3.347 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -16.023 4.629 -2.540 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -18.002 4.195 -1.430 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -19.558 4.376 -2.248 1.00 0.00 H new ATOM 185 N SER A 14 -13.418 6.579 -6.025 1.00 0.00 N ATOM 186 CA SER A 14 -12.784 7.238 -7.160 1.00 0.00 C ATOM 187 C SER A 14 -11.356 6.734 -7.413 1.00 0.00 C ATOM 188 O SER A 14 -11.046 6.387 -8.545 1.00 0.00 O ATOM 189 CB SER A 14 -12.794 8.747 -6.912 1.00 0.00 C ATOM 190 OG SER A 14 -12.306 9.460 -8.019 1.00 0.00 O ATOM 0 H SER A 14 -13.588 7.213 -5.244 1.00 0.00 H new ATOM 0 HA SER A 14 -13.351 6.999 -8.060 1.00 0.00 H new ATOM 0 HB2 SER A 14 -13.810 9.072 -6.689 1.00 0.00 H new ATOM 0 HB3 SER A 14 -12.187 8.976 -6.036 1.00 0.00 H new ATOM 0 HG SER A 14 -12.328 10.420 -7.825 1.00 0.00 H new ATOM 196 N ASP A 15 -10.518 6.653 -6.374 1.00 0.00 N ATOM 197 CA ASP A 15 -9.141 6.135 -6.460 1.00 0.00 C ATOM 198 C ASP A 15 -9.122 4.594 -6.496 1.00 0.00 C ATOM 199 O ASP A 15 -8.372 3.976 -7.245 1.00 0.00 O ATOM 200 CB ASP A 15 -8.324 6.669 -5.266 1.00 0.00 C ATOM 201 CG ASP A 15 -6.817 6.737 -5.540 1.00 0.00 C ATOM 202 OD1 ASP A 15 -6.220 5.671 -5.789 1.00 0.00 O ATOM 203 OD2 ASP A 15 -6.275 7.863 -5.449 1.00 0.00 O ATOM 0 H ASP A 15 -10.778 6.949 -5.433 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.690 6.482 -7.390 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -8.684 7.665 -5.006 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -8.500 6.030 -4.400 1.00 0.00 H new ATOM 208 N CYS A 16 -10.009 3.950 -5.728 1.00 0.00 N ATOM 209 CA CYS A 16 -10.087 2.496 -5.658 1.00 0.00 C ATOM 210 C CYS A 16 -11.007 1.916 -6.750 1.00 0.00 C ATOM 211 O CYS A 16 -12.191 2.272 -6.814 1.00 0.00 O ATOM 212 CB CYS A 16 -10.575 2.078 -4.270 1.00 0.00 C ATOM 213 SG CYS A 16 -10.637 0.298 -3.991 1.00 0.00 S ATOM 0 H CYS A 16 -10.691 4.428 -5.139 1.00 0.00 H new ATOM 0 HA CYS A 16 -9.089 2.094 -5.833 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -9.922 2.526 -3.521 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -11.571 2.491 -4.112 1.00 0.00 H new ATOM 218 N PRO A 17 -10.522 0.966 -7.569 1.00 0.00 N ATOM 219 CA PRO A 17 -11.315 0.345 -8.620 1.00 0.00 C ATOM 220 C PRO A 17 -12.493 -0.422 -8.025 1.00 0.00 C ATOM 221 O PRO A 17 -12.358 -1.042 -6.969 1.00 0.00 O ATOM 222 CB PRO A 17 -10.350 -0.590 -9.355 1.00 0.00 C ATOM 223 CG PRO A 17 -9.277 -0.918 -8.326 1.00 0.00 C ATOM 224 CD PRO A 17 -9.222 0.329 -7.450 1.00 0.00 C ATOM 0 HA PRO A 17 -11.747 1.081 -9.298 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -10.857 -1.491 -9.701 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -9.922 -0.108 -10.234 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -9.536 -1.804 -7.746 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -8.316 -1.117 -8.800 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -9.010 0.067 -6.413 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -8.428 1.000 -7.778 1.00 0.00 H new ATOM 232 N GLN A 18 -13.628 -0.449 -8.741 1.00 0.00 N ATOM 233 CA GLN A 18 -14.819 -1.224 -8.353 1.00 0.00 C ATOM 234 C GLN A 18 -14.530 -2.704 -8.058 1.00 0.00 C ATOM 235 O GLN A 18 -15.298 -3.330 -7.340 1.00 0.00 O ATOM 236 CB GLN A 18 -15.952 -1.067 -9.379 1.00 0.00 C ATOM 237 CG GLN A 18 -15.639 -1.792 -10.686 1.00 0.00 C ATOM 238 CD GLN A 18 -16.825 -1.895 -11.628 1.00 0.00 C ATOM 239 OE1 GLN A 18 -17.957 -2.142 -11.243 1.00 0.00 O ATOM 240 NE2 GLN A 18 -16.622 -1.649 -12.900 1.00 0.00 N ATOM 0 H GLN A 18 -13.747 0.069 -9.611 1.00 0.00 H new ATOM 0 HA GLN A 18 -15.151 -0.796 -7.407 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -16.879 -1.458 -8.959 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -16.115 -0.008 -9.581 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -14.827 -1.271 -11.194 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -15.280 -2.796 -10.457 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -15.681 -1.441 -13.235 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -17.405 -1.665 -13.554 1.00 0.00 H new ATOM 249 N GLU A 19 -13.406 -3.205 -8.569 1.00 0.00 N ATOM 250 CA GLU A 19 -12.939 -4.579 -8.423 1.00 0.00 C ATOM 251 C GLU A 19 -12.243 -4.791 -7.082 1.00 0.00 C ATOM 252 O GLU A 19 -12.366 -5.853 -6.479 1.00 0.00 O ATOM 253 CB GLU A 19 -11.951 -4.937 -9.553 1.00 0.00 C ATOM 254 CG GLU A 19 -12.158 -4.199 -10.889 1.00 0.00 C ATOM 255 CD GLU A 19 -13.565 -4.321 -11.488 1.00 0.00 C ATOM 256 OE1 GLU A 19 -14.348 -5.186 -11.043 1.00 0.00 O ATOM 257 OE2 GLU A 19 -13.871 -3.468 -12.357 1.00 0.00 O ATOM 0 H GLU A 19 -12.767 -2.634 -9.122 1.00 0.00 H new ATOM 0 HA GLU A 19 -13.816 -5.224 -8.476 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -10.939 -4.735 -9.202 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -12.015 -6.009 -9.739 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -11.933 -3.143 -10.742 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -11.437 -4.580 -11.613 1.00 0.00 H new ATOM 264 N ALA A 20 -11.520 -3.765 -6.619 1.00 0.00 N ATOM 265 CA ALA A 20 -10.857 -3.778 -5.332 1.00 0.00 C ATOM 266 C ALA A 20 -11.778 -3.406 -4.178 1.00 0.00 C ATOM 267 O ALA A 20 -11.495 -3.760 -3.041 1.00 0.00 O ATOM 268 CB ALA A 20 -9.723 -2.768 -5.353 1.00 0.00 C ATOM 0 H ALA A 20 -11.384 -2.899 -7.140 1.00 0.00 H new ATOM 0 HA ALA A 20 -10.506 -4.797 -5.171 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -9.216 -2.770 -4.388 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -9.013 -3.034 -6.136 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -10.125 -1.774 -5.550 1.00 0.00 H new ATOM 274 N ARG A 21 -12.838 -2.622 -4.431 1.00 0.00 N ATOM 275 CA ARG A 21 -13.831 -2.220 -3.421 1.00 0.00 C ATOM 276 C ARG A 21 -14.255 -3.402 -2.555 1.00 0.00 C ATOM 277 O ARG A 21 -14.963 -4.302 -2.999 1.00 0.00 O ATOM 278 CB ARG A 21 -15.072 -1.630 -4.084 1.00 0.00 C ATOM 279 CG ARG A 21 -14.795 -0.316 -4.806 1.00 0.00 C ATOM 280 CD ARG A 21 -16.109 0.288 -5.280 1.00 0.00 C ATOM 281 NE ARG A 21 -15.874 1.460 -6.141 1.00 0.00 N ATOM 282 CZ ARG A 21 -16.709 1.919 -7.053 1.00 0.00 C ATOM 283 NH1 ARG A 21 -17.869 1.354 -7.253 1.00 0.00 N ATOM 284 NH2 ARG A 21 -16.393 2.957 -7.772 1.00 0.00 N ATOM 0 H ARG A 21 -13.033 -2.243 -5.358 1.00 0.00 H new ATOM 0 HA ARG A 21 -13.356 -1.467 -2.792 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -15.474 -2.351 -4.795 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -15.839 -1.467 -3.327 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -14.283 0.377 -4.139 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -14.134 -0.488 -5.655 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -16.680 -0.461 -5.828 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -16.710 0.580 -4.419 1.00 0.00 H new ATOM 0 HE ARG A 21 -14.992 1.958 -6.022 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -18.143 0.543 -6.699 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -18.501 1.724 -7.963 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -15.495 3.420 -7.632 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -17.043 3.307 -8.476 1.00 0.00 H new ATOM 298 N LEU A 22 -13.852 -3.371 -1.290 1.00 0.00 N ATOM 299 CA LEU A 22 -14.146 -4.442 -0.354 1.00 0.00 C ATOM 300 C LEU A 22 -15.398 -4.104 0.461 1.00 0.00 C ATOM 301 O LEU A 22 -15.907 -2.984 0.456 1.00 0.00 O ATOM 302 CB LEU A 22 -12.950 -4.667 0.577 1.00 0.00 C ATOM 303 CG LEU A 22 -11.554 -4.722 -0.057 1.00 0.00 C ATOM 304 CD1 LEU A 22 -10.489 -4.478 1.011 1.00 0.00 C ATOM 305 CD2 LEU A 22 -11.328 -6.072 -0.758 1.00 0.00 C ATOM 0 H LEU A 22 -13.314 -2.603 -0.888 1.00 0.00 H new ATOM 0 HA LEU A 22 -14.333 -5.359 -0.914 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -12.949 -3.870 1.321 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -13.113 -5.603 1.112 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.478 -3.938 -0.811 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.500 -4.518 0.555 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.642 -3.496 1.460 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -10.564 -5.245 1.782 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -10.332 -6.090 -1.201 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -11.416 -6.879 -0.031 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -12.075 -6.205 -1.540 1.00 0.00 H new ATOM 317 N SER A 23 -15.828 -5.053 1.284 1.00 0.00 N ATOM 318 CA SER A 23 -17.003 -4.925 2.154 1.00 0.00 C ATOM 319 C SER A 23 -16.687 -5.247 3.608 1.00 0.00 C ATOM 320 O SER A 23 -17.549 -5.655 4.375 1.00 0.00 O ATOM 321 CB SER A 23 -18.151 -5.779 1.616 1.00 0.00 C ATOM 322 OG SER A 23 -17.696 -7.083 1.306 1.00 0.00 O ATOM 0 H SER A 23 -15.362 -5.956 1.371 1.00 0.00 H new ATOM 0 HA SER A 23 -17.316 -3.881 2.141 1.00 0.00 H new ATOM 0 HB2 SER A 23 -18.950 -5.833 2.356 1.00 0.00 H new ATOM 0 HB3 SER A 23 -18.572 -5.313 0.725 1.00 0.00 H new ATOM 0 HG SER A 23 -18.443 -7.618 0.965 1.00 0.00 H new ATOM 328 N TYR A 24 -15.443 -5.006 4.025 1.00 0.00 N ATOM 329 CA TYR A 24 -15.005 -5.274 5.393 1.00 0.00 C ATOM 330 C TYR A 24 -15.617 -4.274 6.376 1.00 0.00 C ATOM 331 O TYR A 24 -15.571 -4.498 7.567 1.00 0.00 O ATOM 332 CB TYR A 24 -13.479 -5.214 5.464 1.00 0.00 C ATOM 333 CG TYR A 24 -12.753 -6.381 4.869 1.00 0.00 C ATOM 334 CD1 TYR A 24 -12.916 -6.660 3.506 1.00 0.00 C ATOM 335 CD2 TYR A 24 -11.905 -7.173 5.654 1.00 0.00 C ATOM 336 CE1 TYR A 24 -12.251 -7.729 2.898 1.00 0.00 C ATOM 337 CE2 TYR A 24 -11.269 -8.273 5.057 1.00 0.00 C ATOM 338 CZ TYR A 24 -11.416 -8.541 3.681 1.00 0.00 C ATOM 339 OH TYR A 24 -10.719 -9.551 3.103 1.00 0.00 O ATOM 0 H TYR A 24 -14.714 -4.621 3.425 1.00 0.00 H new ATOM 0 HA TYR A 24 -15.344 -6.271 5.674 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -13.146 -4.307 4.959 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -13.186 -5.123 6.510 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -13.569 -6.037 2.913 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -11.744 -6.942 6.697 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -12.378 -7.927 1.844 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -10.657 -8.925 5.662 1.00 0.00 H new ATOM 0 HH TYR A 24 -9.758 -9.377 3.189 1.00 0.00 H new ATOM 349 N GLY A 25 -16.163 -3.147 5.914 1.00 0.00 N ATOM 350 CA GLY A 25 -16.841 -2.172 6.770 1.00 0.00 C ATOM 351 C GLY A 25 -15.905 -1.587 7.829 1.00 0.00 C ATOM 352 O GLY A 25 -15.812 -2.007 8.986 1.00 0.00 O ATOM 0 H GLY A 25 -16.147 -2.884 4.929 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.240 -1.366 6.155 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -17.690 -2.649 7.260 1.00 0.00 H new ATOM 356 N GLY A 26 -15.146 -0.587 7.412 1.00 0.00 N ATOM 357 CA GLY A 26 -14.152 0.016 8.281 1.00 0.00 C ATOM 358 C GLY A 26 -13.291 1.050 7.582 1.00 0.00 C ATOM 359 O GLY A 26 -12.102 1.150 7.867 1.00 0.00 O ATOM 0 H GLY A 26 -15.200 -0.177 6.479 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -14.655 0.485 9.127 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -13.511 -0.767 8.686 1.00 0.00 H new ATOM 363 N CYS A 27 -13.875 1.755 6.619 1.00 0.00 N ATOM 364 CA CYS A 27 -13.230 2.895 5.987 1.00 0.00 C ATOM 365 C CYS A 27 -14.147 4.093 5.925 1.00 0.00 C ATOM 366 O CYS A 27 -15.358 3.953 6.067 1.00 0.00 O ATOM 367 CB CYS A 27 -12.753 2.508 4.596 1.00 0.00 C ATOM 368 SG CYS A 27 -11.185 1.625 4.728 1.00 0.00 S ATOM 0 H CYS A 27 -14.807 1.551 6.257 1.00 0.00 H new ATOM 0 HA CYS A 27 -12.371 3.180 6.594 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -13.497 1.880 4.105 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -12.631 3.399 3.980 1.00 0.00 H new ATOM 373 N SER A 28 -13.547 5.245 5.634 1.00 0.00 N ATOM 374 CA SER A 28 -14.265 6.505 5.459 1.00 0.00 C ATOM 375 C SER A 28 -15.386 6.394 4.424 1.00 0.00 C ATOM 376 O SER A 28 -16.503 6.824 4.669 1.00 0.00 O ATOM 377 CB SER A 28 -13.279 7.608 5.065 1.00 0.00 C ATOM 378 OG SER A 28 -12.462 7.193 3.977 1.00 0.00 O ATOM 0 H SER A 28 -12.538 5.331 5.512 1.00 0.00 H new ATOM 0 HA SER A 28 -14.735 6.756 6.410 1.00 0.00 H new ATOM 0 HB2 SER A 28 -13.826 8.510 4.791 1.00 0.00 H new ATOM 0 HB3 SER A 28 -12.652 7.863 5.919 1.00 0.00 H new ATOM 0 HG SER A 28 -11.841 7.913 3.741 1.00 0.00 H new ATOM 384 N THR A 29 -15.089 5.794 3.272 1.00 0.00 N ATOM 385 CA THR A 29 -16.030 5.619 2.155 1.00 0.00 C ATOM 386 C THR A 29 -16.014 4.191 1.634 1.00 0.00 C ATOM 387 O THR A 29 -17.053 3.542 1.561 1.00 0.00 O ATOM 388 CB THR A 29 -15.730 6.626 1.034 1.00 0.00 C ATOM 389 OG1 THR A 29 -16.410 6.294 -0.162 1.00 0.00 O ATOM 390 CG2 THR A 29 -14.248 6.715 0.681 1.00 0.00 C ATOM 0 H THR A 29 -14.166 5.405 3.080 1.00 0.00 H new ATOM 0 HA THR A 29 -17.036 5.815 2.527 1.00 0.00 H new ATOM 0 HB THR A 29 -16.070 7.582 1.433 1.00 0.00 H new ATOM 0 HG1 THR A 29 -16.198 6.956 -0.853 1.00 0.00 H new ATOM 0 HG21 THR A 29 -14.107 7.444 -0.117 1.00 0.00 H new ATOM 0 HG22 THR A 29 -13.683 7.025 1.560 1.00 0.00 H new ATOM 0 HG23 THR A 29 -13.894 5.739 0.348 1.00 0.00 H new ATOM 398 N VAL A 30 -14.835 3.690 1.263 1.00 0.00 N ATOM 399 CA VAL A 30 -14.648 2.332 0.755 1.00 0.00 C ATOM 400 C VAL A 30 -13.250 1.808 1.115 1.00 0.00 C ATOM 401 O VAL A 30 -12.265 2.541 1.157 1.00 0.00 O ATOM 402 CB VAL A 30 -14.967 2.276 -0.746 1.00 0.00 C ATOM 403 CG1 VAL A 30 -13.990 3.088 -1.569 1.00 0.00 C ATOM 404 CG2 VAL A 30 -14.977 0.860 -1.314 1.00 0.00 C ATOM 0 H VAL A 30 -13.969 4.227 1.308 1.00 0.00 H new ATOM 0 HA VAL A 30 -15.352 1.656 1.240 1.00 0.00 H new ATOM 0 HB VAL A 30 -15.970 2.697 -0.819 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -14.256 3.018 -2.624 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -14.028 4.131 -1.254 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -12.982 2.701 -1.423 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -15.209 0.897 -2.378 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -13.997 0.404 -1.172 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -15.732 0.266 -0.798 1.00 0.00 H new ATOM 414 N CYS A 31 -13.167 0.534 1.475 1.00 0.00 N ATOM 415 CA CYS A 31 -11.897 -0.160 1.683 1.00 0.00 C ATOM 416 C CYS A 31 -11.344 -0.654 0.341 1.00 0.00 C ATOM 417 O CYS A 31 -12.106 -1.189 -0.464 1.00 0.00 O ATOM 418 CB CYS A 31 -12.135 -1.338 2.653 1.00 0.00 C ATOM 419 SG CYS A 31 -12.665 -0.867 4.322 1.00 0.00 S ATOM 0 H CYS A 31 -13.985 -0.055 1.633 1.00 0.00 H new ATOM 0 HA CYS A 31 -11.161 0.518 2.116 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -12.889 -1.997 2.222 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -11.214 -1.916 2.731 1.00 0.00 H new ATOM 424 N CYS A 32 -10.032 -0.524 0.138 1.00 0.00 N ATOM 425 CA CYS A 32 -9.324 -1.054 -1.019 1.00 0.00 C ATOM 426 C CYS A 32 -8.293 -2.105 -0.599 1.00 0.00 C ATOM 427 O CYS A 32 -7.630 -2.017 0.444 1.00 0.00 O ATOM 428 CB CYS A 32 -8.656 0.096 -1.773 1.00 0.00 C ATOM 429 SG CYS A 32 -8.704 -0.118 -3.557 1.00 0.00 S ATOM 0 H CYS A 32 -9.421 -0.035 0.792 1.00 0.00 H new ATOM 0 HA CYS A 32 -10.039 -1.546 -1.678 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -9.150 1.032 -1.511 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -7.619 0.182 -1.450 1.00 0.00 H new ATOM 434 N ASP A 33 -8.185 -3.151 -1.400 1.00 0.00 N ATOM 435 CA ASP A 33 -7.267 -4.253 -1.174 1.00 0.00 C ATOM 436 C ASP A 33 -5.822 -3.904 -1.525 1.00 0.00 C ATOM 437 O ASP A 33 -5.372 -3.906 -2.664 1.00 0.00 O ATOM 438 CB ASP A 33 -7.700 -5.503 -1.913 1.00 0.00 C ATOM 439 CG ASP A 33 -8.324 -5.217 -3.270 1.00 0.00 C ATOM 440 OD1 ASP A 33 -7.815 -4.308 -3.949 1.00 0.00 O ATOM 441 OD2 ASP A 33 -9.247 -5.972 -3.621 1.00 0.00 O ATOM 0 H ASP A 33 -8.746 -3.260 -2.245 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.301 -4.452 -0.103 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -6.836 -6.154 -2.049 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.417 -6.049 -1.300 1.00 0.00 H new ATOM 446 N LEU A 34 -4.998 -3.726 -0.503 1.00 0.00 N ATOM 447 CA LEU A 34 -3.606 -3.355 -0.733 1.00 0.00 C ATOM 448 C LEU A 34 -2.845 -4.490 -1.413 1.00 0.00 C ATOM 449 O LEU A 34 -2.007 -4.254 -2.265 1.00 0.00 O ATOM 450 CB LEU A 34 -2.939 -3.010 0.593 1.00 0.00 C ATOM 451 CG LEU A 34 -3.739 -2.042 1.474 1.00 0.00 C ATOM 452 CD1 LEU A 34 -3.199 -2.165 2.884 1.00 0.00 C ATOM 453 CD2 LEU A 34 -3.671 -0.605 0.965 1.00 0.00 C ATOM 0 H LEU A 34 -5.260 -3.830 0.477 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.586 -2.485 -1.390 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.768 -3.931 1.150 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.961 -2.574 0.391 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.796 -2.305 1.448 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.745 -1.489 3.543 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.322 -3.190 3.233 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.141 -1.904 2.892 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.253 0.042 1.622 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.633 -0.272 0.954 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.078 -0.557 -0.045 1.00 0.00 H new ATOM 465 N SER A 35 -3.171 -5.736 -1.052 1.00 0.00 N ATOM 466 CA SER A 35 -2.538 -6.931 -1.621 1.00 0.00 C ATOM 467 C SER A 35 -2.874 -7.151 -3.093 1.00 0.00 C ATOM 468 O SER A 35 -2.165 -7.888 -3.772 1.00 0.00 O ATOM 469 CB SER A 35 -2.959 -8.174 -0.834 1.00 0.00 C ATOM 470 OG SER A 35 -4.368 -8.384 -0.933 1.00 0.00 O ATOM 0 H SER A 35 -3.885 -5.945 -0.354 1.00 0.00 H new ATOM 0 HA SER A 35 -1.463 -6.766 -1.548 1.00 0.00 H new ATOM 0 HB2 SER A 35 -2.429 -9.047 -1.214 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.676 -8.060 0.213 1.00 0.00 H new ATOM 0 HG SER A 35 -4.616 -9.184 -0.425 1.00 0.00 H new ATOM 548 N LYS A 41 2.387 -2.125 -0.400 1.00 0.00 N ATOM 549 CA LYS A 41 1.572 -2.126 0.813 1.00 0.00 C ATOM 550 C LYS A 41 1.046 -3.513 1.166 1.00 0.00 C ATOM 551 O LYS A 41 0.864 -3.794 2.345 1.00 0.00 O ATOM 552 CB LYS A 41 0.394 -1.173 0.622 1.00 0.00 C ATOM 553 CG LYS A 41 0.803 0.264 0.263 1.00 0.00 C ATOM 554 CD LYS A 41 1.288 1.050 1.486 1.00 0.00 C ATOM 555 CE LYS A 41 0.091 1.505 2.330 1.00 0.00 C ATOM 556 NZ LYS A 41 0.530 1.979 3.667 1.00 0.00 N ATOM 0 HA LYS A 41 2.208 -1.802 1.637 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.252 -1.563 -0.165 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -0.196 -1.153 1.538 1.00 0.00 H new ATOM 0 HG2 LYS A 41 1.593 0.238 -0.487 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -0.046 0.780 -0.186 1.00 0.00 H new ATOM 0 HD2 LYS A 41 1.951 0.429 2.087 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.867 1.916 1.165 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.439 2.305 1.813 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.611 0.679 2.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.299 2.281 4.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 1.015 1.207 4.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 1.182 2.782 3.554 1.00 0.00 H new ATOM 570 N GLY A 42 0.819 -4.370 0.168 1.00 0.00 N ATOM 571 CA GLY A 42 0.370 -5.747 0.370 1.00 0.00 C ATOM 572 C GLY A 42 1.270 -6.563 1.298 1.00 0.00 C ATOM 573 O GLY A 42 0.768 -7.343 2.098 1.00 0.00 O ATOM 0 H GLY A 42 0.944 -4.123 -0.814 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.640 -5.733 0.780 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.315 -6.246 -0.597 1.00 0.00 H new ATOM 577 N LYS A 43 2.588 -6.369 1.204 1.00 0.00 N ATOM 578 CA LYS A 43 3.606 -6.998 2.057 1.00 0.00 C ATOM 579 C LYS A 43 3.918 -6.180 3.314 1.00 0.00 C ATOM 580 O LYS A 43 4.967 -6.368 3.914 1.00 0.00 O ATOM 581 CB LYS A 43 4.889 -7.263 1.251 1.00 0.00 C ATOM 582 CG LYS A 43 4.626 -8.004 -0.066 1.00 0.00 C ATOM 583 CD LYS A 43 5.934 -8.543 -0.645 1.00 0.00 C ATOM 584 CE LYS A 43 5.626 -9.407 -1.867 1.00 0.00 C ATOM 585 NZ LYS A 43 6.864 -9.975 -2.445 1.00 0.00 N ATOM 0 H LYS A 43 2.993 -5.746 0.506 1.00 0.00 H new ATOM 0 HA LYS A 43 3.191 -7.947 2.398 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.379 -6.313 1.036 1.00 0.00 H new ATOM 0 HB3 LYS A 43 5.579 -7.848 1.859 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.930 -8.826 0.104 1.00 0.00 H new ATOM 0 HG3 LYS A 43 4.154 -7.331 -0.782 1.00 0.00 H new ATOM 0 HD2 LYS A 43 6.589 -7.718 -0.924 1.00 0.00 H new ATOM 0 HD3 LYS A 43 6.463 -9.130 0.106 1.00 0.00 H new ATOM 0 HE2 LYS A 43 4.950 -10.214 -1.584 1.00 0.00 H new ATOM 0 HE3 LYS A 43 5.112 -8.808 -2.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 6.625 -10.557 -3.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 7.498 -9.203 -2.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 7.341 -10.565 -1.733 1.00 0.00 H new ATOM 599 N GLY A 44 3.055 -5.224 3.667 1.00 0.00 N ATOM 600 CA GLY A 44 3.266 -4.340 4.811 1.00 0.00 C ATOM 601 C GLY A 44 4.455 -3.397 4.618 1.00 0.00 C ATOM 602 O GLY A 44 5.163 -3.088 5.573 1.00 0.00 O ATOM 0 H GLY A 44 2.187 -5.042 3.163 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.365 -3.751 4.981 1.00 0.00 H new ATOM 0 HA3 GLY A 44 3.427 -4.942 5.705 1.00 0.00 H new ATOM 606 N GLY A 45 4.690 -2.954 3.379 1.00 0.00 N ATOM 607 CA GLY A 45 5.751 -2.003 3.073 1.00 0.00 C ATOM 608 C GLY A 45 5.462 -0.620 3.640 1.00 0.00 C ATOM 609 O GLY A 45 4.368 -0.317 4.131 1.00 0.00 O ATOM 0 H GLY A 45 4.149 -3.247 2.565 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.694 -2.370 3.478 1.00 0.00 H new ATOM 0 HA3 GLY A 45 5.874 -1.933 1.992 1.00 0.00 H new ATOM 613 N GLU A 46 6.443 0.259 3.482 1.00 0.00 N ATOM 614 CA GLU A 46 6.404 1.613 3.998 1.00 0.00 C ATOM 615 C GLU A 46 7.061 2.617 3.039 1.00 0.00 C ATOM 616 O GLU A 46 8.141 2.393 2.484 1.00 0.00 O ATOM 617 CB GLU A 46 7.061 1.662 5.390 1.00 0.00 C ATOM 618 CG GLU A 46 6.397 2.639 6.377 1.00 0.00 C ATOM 619 CD GLU A 46 5.749 3.872 5.740 1.00 0.00 C ATOM 620 OE1 GLU A 46 4.653 3.749 5.137 1.00 0.00 O ATOM 621 OE2 GLU A 46 6.399 4.927 5.790 1.00 0.00 O ATOM 0 H GLU A 46 7.304 0.042 2.980 1.00 0.00 H new ATOM 0 HA GLU A 46 5.359 1.908 4.089 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.042 0.661 5.822 1.00 0.00 H new ATOM 0 HB3 GLU A 46 8.109 1.940 5.273 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.636 2.099 6.941 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.148 2.972 7.093 1.00 0.00 H new ATOM 628 N CYS A 47 6.420 3.762 2.845 1.00 0.00 N ATOM 629 CA CYS A 47 6.944 4.829 2.002 1.00 0.00 C ATOM 630 C CYS A 47 8.114 5.573 2.657 1.00 0.00 C ATOM 631 O CYS A 47 8.000 6.132 3.740 1.00 0.00 O ATOM 632 CB CYS A 47 5.825 5.812 1.693 1.00 0.00 C ATOM 633 SG CYS A 47 6.035 6.682 0.128 1.00 0.00 S ATOM 0 H CYS A 47 5.518 3.978 3.270 1.00 0.00 H new ATOM 0 HA CYS A 47 7.323 4.374 1.087 1.00 0.00 H new ATOM 0 HB2 CYS A 47 4.877 5.275 1.675 1.00 0.00 H new ATOM 0 HB3 CYS A 47 5.763 6.543 2.499 1.00 0.00 H new ATOM 638 N ASN A 48 9.260 5.621 1.988 1.00 0.00 N ATOM 639 CA ASN A 48 10.441 6.302 2.507 1.00 0.00 C ATOM 640 C ASN A 48 10.995 7.307 1.483 1.00 0.00 C ATOM 641 O ASN A 48 10.893 7.098 0.267 1.00 0.00 O ATOM 642 CB ASN A 48 11.475 5.264 2.979 1.00 0.00 C ATOM 643 CG ASN A 48 11.199 4.769 4.391 1.00 0.00 C ATOM 644 OD1 ASN A 48 11.915 5.046 5.340 1.00 0.00 O ATOM 645 ND2 ASN A 48 10.136 4.037 4.598 1.00 0.00 N ATOM 0 H ASN A 48 9.397 5.191 1.073 1.00 0.00 H new ATOM 0 HA ASN A 48 10.170 6.897 3.379 1.00 0.00 H new ATOM 0 HB2 ASN A 48 11.474 4.417 2.293 1.00 0.00 H new ATOM 0 HB3 ASN A 48 12.471 5.704 2.940 1.00 0.00 H new ATOM 0 HD21 ASN A 48 9.918 3.709 5.539 1.00 0.00 H new ATOM 0 HD22 ASN A 48 9.524 3.794 3.819 1.00 0.00 H new ATOM 652 N PRO A 49 11.570 8.423 1.963 1.00 0.00 N ATOM 653 CA PRO A 49 12.194 9.412 1.096 1.00 0.00 C ATOM 654 C PRO A 49 13.443 8.835 0.437 1.00 0.00 C ATOM 655 O PRO A 49 14.112 7.987 1.015 1.00 0.00 O ATOM 656 CB PRO A 49 12.530 10.596 2.009 1.00 0.00 C ATOM 657 CG PRO A 49 12.667 9.975 3.397 1.00 0.00 C ATOM 658 CD PRO A 49 11.712 8.787 3.367 1.00 0.00 C ATOM 0 HA PRO A 49 11.539 9.718 0.280 1.00 0.00 H new ATOM 0 HB2 PRO A 49 13.453 11.087 1.700 1.00 0.00 H new ATOM 0 HB3 PRO A 49 11.744 11.351 1.987 1.00 0.00 H new ATOM 0 HG2 PRO A 49 13.691 9.658 3.593 1.00 0.00 H new ATOM 0 HG3 PRO A 49 12.397 10.684 4.180 1.00 0.00 H new ATOM 0 HD2 PRO A 49 12.107 7.954 3.948 1.00 0.00 H new ATOM 0 HD3 PRO A 49 10.748 9.050 3.802 1.00 0.00 H new ATOM 666 N LEU A 50 13.809 9.364 -0.731 1.00 0.00 N ATOM 667 CA LEU A 50 15.036 8.969 -1.445 1.00 0.00 C ATOM 668 C LEU A 50 16.320 9.246 -0.645 1.00 0.00 C ATOM 669 O LEU A 50 17.363 8.679 -0.943 1.00 0.00 O ATOM 670 CB LEU A 50 15.140 9.708 -2.792 1.00 0.00 C ATOM 671 CG LEU A 50 13.846 9.819 -3.601 1.00 0.00 C ATOM 672 CD1 LEU A 50 14.070 10.548 -4.928 1.00 0.00 C ATOM 673 CD2 LEU A 50 13.224 8.449 -3.848 1.00 0.00 C ATOM 0 H LEU A 50 13.266 10.080 -1.214 1.00 0.00 H new ATOM 0 HA LEU A 50 14.955 7.893 -1.596 1.00 0.00 H new ATOM 0 HB2 LEU A 50 15.514 10.714 -2.603 1.00 0.00 H new ATOM 0 HB3 LEU A 50 15.885 9.201 -3.405 1.00 0.00 H new ATOM 0 HG LEU A 50 13.150 10.409 -3.005 1.00 0.00 H new ATOM 0 HD11 LEU A 50 13.129 10.607 -5.474 1.00 0.00 H new ATOM 0 HD12 LEU A 50 14.440 11.555 -4.732 1.00 0.00 H new ATOM 0 HD13 LEU A 50 14.802 10.002 -5.524 1.00 0.00 H new ATOM 0 HD21 LEU A 50 12.307 8.565 -4.425 1.00 0.00 H new ATOM 0 HD22 LEU A 50 13.925 7.826 -4.402 1.00 0.00 H new ATOM 0 HD23 LEU A 50 12.995 7.976 -2.893 1.00 0.00 H new ATOM 685 N ASP A 51 16.227 10.114 0.362 1.00 0.00 N ATOM 686 CA ASP A 51 17.318 10.450 1.275 1.00 0.00 C ATOM 687 C ASP A 51 17.488 9.405 2.388 1.00 0.00 C ATOM 688 O ASP A 51 18.493 9.382 3.101 1.00 0.00 O ATOM 689 CB ASP A 51 17.026 11.819 1.904 1.00 0.00 C ATOM 690 CG ASP A 51 17.436 12.958 0.978 1.00 0.00 C ATOM 691 OD1 ASP A 51 16.858 13.038 -0.128 1.00 0.00 O ATOM 692 OD2 ASP A 51 18.294 13.755 1.409 1.00 0.00 O ATOM 0 H ASP A 51 15.365 10.617 0.571 1.00 0.00 H new ATOM 0 HA ASP A 51 18.245 10.470 0.703 1.00 0.00 H new ATOM 0 HB2 ASP A 51 15.963 11.897 2.130 1.00 0.00 H new ATOM 0 HB3 ASP A 51 17.560 11.907 2.850 1.00 0.00 H new ATOM 697 N ARG A 52 16.491 8.534 2.584 1.00 0.00 N ATOM 698 CA ARG A 52 16.556 7.438 3.546 1.00 0.00 C ATOM 699 C ARG A 52 17.152 6.199 2.886 1.00 0.00 C ATOM 700 O ARG A 52 16.784 5.837 1.780 1.00 0.00 O ATOM 701 CB ARG A 52 15.151 7.155 4.079 1.00 0.00 C ATOM 702 CG ARG A 52 15.137 6.136 5.219 1.00 0.00 C ATOM 703 CD ARG A 52 15.533 6.804 6.534 1.00 0.00 C ATOM 704 NE ARG A 52 15.112 5.997 7.687 1.00 0.00 N ATOM 705 CZ ARG A 52 15.130 6.394 8.943 1.00 0.00 C ATOM 706 NH1 ARG A 52 15.574 7.576 9.267 1.00 0.00 N ATOM 707 NH2 ARG A 52 14.718 5.612 9.898 1.00 0.00 N ATOM 0 H ARG A 52 15.610 8.574 2.072 1.00 0.00 H new ATOM 0 HA ARG A 52 17.199 7.715 4.381 1.00 0.00 H new ATOM 0 HB2 ARG A 52 14.706 8.087 4.427 1.00 0.00 H new ATOM 0 HB3 ARG A 52 14.527 6.789 3.264 1.00 0.00 H new ATOM 0 HG2 ARG A 52 14.143 5.697 5.311 1.00 0.00 H new ATOM 0 HG3 ARG A 52 15.826 5.321 4.996 1.00 0.00 H new ATOM 0 HD2 ARG A 52 16.613 6.947 6.562 1.00 0.00 H new ATOM 0 HD3 ARG A 52 15.079 7.793 6.594 1.00 0.00 H new ATOM 0 HE ARG A 52 14.778 5.052 7.500 1.00 0.00 H new ATOM 0 HH11 ARG A 52 15.914 8.209 8.543 1.00 0.00 H new ATOM 0 HH12 ARG A 52 15.581 7.868 10.244 1.00 0.00 H new ATOM 0 HH21 ARG A 52 14.375 4.677 9.679 1.00 0.00 H new ATOM 0 HH22 ARG A 52 14.738 5.934 10.866 1.00 0.00 H new ATOM 721 N GLN A 53 17.997 5.500 3.634 1.00 0.00 N ATOM 722 CA GLN A 53 18.574 4.221 3.230 1.00 0.00 C ATOM 723 C GLN A 53 17.777 3.052 3.823 1.00 0.00 C ATOM 724 O GLN A 53 17.598 2.960 5.043 1.00 0.00 O ATOM 725 CB GLN A 53 20.055 4.193 3.633 1.00 0.00 C ATOM 726 CG GLN A 53 20.265 4.064 5.149 1.00 0.00 C ATOM 727 CD GLN A 53 21.680 4.396 5.573 1.00 0.00 C ATOM 728 OE1 GLN A 53 22.649 3.780 5.175 1.00 0.00 O ATOM 729 NE2 GLN A 53 21.848 5.368 6.439 1.00 0.00 N ATOM 0 H GLN A 53 18.307 5.810 4.555 1.00 0.00 H new ATOM 0 HA GLN A 53 18.515 4.109 2.147 1.00 0.00 H new ATOM 0 HB2 GLN A 53 20.546 3.359 3.132 1.00 0.00 H new ATOM 0 HB3 GLN A 53 20.538 5.105 3.282 1.00 0.00 H new ATOM 0 HG2 GLN A 53 19.570 4.726 5.666 1.00 0.00 H new ATOM 0 HG3 GLN A 53 20.026 3.047 5.460 1.00 0.00 H new ATOM 0 HE21 GLN A 53 21.042 5.892 6.780 1.00 0.00 H new ATOM 0 HE22 GLN A 53 22.784 5.599 6.771 1.00 0.00 H new ATOM 738 N CYS A 54 17.267 2.171 2.970 1.00 0.00 N ATOM 739 CA CYS A 54 16.554 0.970 3.392 1.00 0.00 C ATOM 740 C CYS A 54 16.361 0.020 2.215 1.00 0.00 C ATOM 741 O CYS A 54 16.643 0.374 1.089 1.00 0.00 O ATOM 742 CB CYS A 54 15.222 1.363 4.056 1.00 0.00 C ATOM 743 SG CYS A 54 14.300 2.772 3.366 1.00 0.00 S ATOM 0 H CYS A 54 17.337 2.271 1.957 1.00 0.00 H new ATOM 0 HA CYS A 54 17.146 0.434 4.133 1.00 0.00 H new ATOM 0 HB2 CYS A 54 14.567 0.492 4.030 1.00 0.00 H new ATOM 0 HB3 CYS A 54 15.424 1.579 5.105 1.00 0.00 H new ATOM 748 N LYS A 55 15.913 -1.209 2.477 1.00 0.00 N ATOM 749 CA LYS A 55 15.591 -2.172 1.422 1.00 0.00 C ATOM 750 C LYS A 55 14.286 -1.797 0.736 1.00 0.00 C ATOM 751 O LYS A 55 13.222 -1.972 1.331 1.00 0.00 O ATOM 752 CB LYS A 55 15.502 -3.570 2.034 1.00 0.00 C ATOM 753 CG LYS A 55 15.084 -4.629 0.997 1.00 0.00 C ATOM 754 CD LYS A 55 15.078 -6.019 1.631 1.00 0.00 C ATOM 755 CE LYS A 55 16.514 -6.536 1.786 1.00 0.00 C ATOM 756 NZ LYS A 55 16.609 -7.528 2.882 1.00 0.00 N ATOM 0 H LYS A 55 15.764 -1.564 3.422 1.00 0.00 H new ATOM 0 HA LYS A 55 16.376 -2.160 0.666 1.00 0.00 H new ATOM 0 HB2 LYS A 55 16.468 -3.841 2.460 1.00 0.00 H new ATOM 0 HB3 LYS A 55 14.783 -3.562 2.853 1.00 0.00 H new ATOM 0 HG2 LYS A 55 14.093 -4.395 0.608 1.00 0.00 H new ATOM 0 HG3 LYS A 55 15.771 -4.611 0.151 1.00 0.00 H new ATOM 0 HD2 LYS A 55 14.590 -5.980 2.605 1.00 0.00 H new ATOM 0 HD3 LYS A 55 14.501 -6.706 1.013 1.00 0.00 H new ATOM 0 HE2 LYS A 55 16.843 -6.990 0.851 1.00 0.00 H new ATOM 0 HE3 LYS A 55 17.185 -5.701 1.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 17.591 -7.861 2.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 16.317 -7.086 3.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 15.986 -8.335 2.675 1.00 0.00 H new ATOM 770 N GLU A 56 14.364 -1.379 -0.515 1.00 0.00 N ATOM 771 CA GLU A 56 13.226 -1.015 -1.345 1.00 0.00 C ATOM 772 C GLU A 56 13.207 -1.813 -2.641 1.00 0.00 C ATOM 773 O GLU A 56 14.224 -2.016 -3.294 1.00 0.00 O ATOM 774 CB GLU A 56 13.201 0.501 -1.610 1.00 0.00 C ATOM 775 CG GLU A 56 14.338 1.054 -2.478 1.00 0.00 C ATOM 776 CD GLU A 56 15.684 1.076 -1.764 1.00 0.00 C ATOM 777 OE1 GLU A 56 16.379 0.032 -1.809 1.00 0.00 O ATOM 778 OE2 GLU A 56 15.969 2.155 -1.203 1.00 0.00 O ATOM 0 H GLU A 56 15.255 -1.280 -1.001 1.00 0.00 H new ATOM 0 HA GLU A 56 12.318 -1.269 -0.799 1.00 0.00 H new ATOM 0 HB2 GLU A 56 12.253 0.750 -2.087 1.00 0.00 H new ATOM 0 HB3 GLU A 56 13.220 1.017 -0.650 1.00 0.00 H new ATOM 0 HG2 GLU A 56 14.423 0.450 -3.381 1.00 0.00 H new ATOM 0 HG3 GLU A 56 14.085 2.066 -2.794 1.00 0.00 H new ATOM 785 N LEU A 57 12.037 -2.307 -3.030 1.00 0.00 N ATOM 786 CA LEU A 57 11.938 -3.019 -4.301 1.00 0.00 C ATOM 787 C LEU A 57 11.749 -2.040 -5.455 1.00 0.00 C ATOM 788 O LEU A 57 10.969 -1.108 -5.344 1.00 0.00 O ATOM 789 CB LEU A 57 10.771 -3.998 -4.207 1.00 0.00 C ATOM 790 CG LEU A 57 10.923 -5.334 -4.937 1.00 0.00 C ATOM 791 CD1 LEU A 57 10.714 -5.187 -6.442 1.00 0.00 C ATOM 792 CD2 LEU A 57 12.275 -5.979 -4.645 1.00 0.00 C ATOM 0 H LEU A 57 11.167 -2.232 -2.503 1.00 0.00 H new ATOM 0 HA LEU A 57 12.859 -3.567 -4.498 1.00 0.00 H new ATOM 0 HB2 LEU A 57 10.589 -4.207 -3.153 1.00 0.00 H new ATOM 0 HB3 LEU A 57 9.881 -3.501 -4.592 1.00 0.00 H new ATOM 0 HG LEU A 57 10.142 -5.992 -4.555 1.00 0.00 H new ATOM 0 HD11 LEU A 57 10.831 -6.159 -6.922 1.00 0.00 H new ATOM 0 HD12 LEU A 57 9.711 -4.805 -6.635 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.451 -4.492 -6.845 1.00 0.00 H new ATOM 0 HD21 LEU A 57 12.349 -6.926 -5.179 1.00 0.00 H new ATOM 0 HD22 LEU A 57 13.074 -5.314 -4.973 1.00 0.00 H new ATOM 0 HD23 LEU A 57 12.369 -6.158 -3.574 1.00 0.00 H new ATOM 804 N GLN A 58 12.337 -2.318 -6.612 1.00 0.00 N ATOM 805 CA GLN A 58 12.188 -1.500 -7.817 1.00 0.00 C ATOM 806 C GLN A 58 10.755 -1.489 -8.363 1.00 0.00 C ATOM 807 O GLN A 58 10.252 -0.459 -8.802 1.00 0.00 O ATOM 808 CB GLN A 58 13.127 -2.027 -8.912 1.00 0.00 C ATOM 809 CG GLN A 58 14.563 -1.502 -8.778 1.00 0.00 C ATOM 810 CD GLN A 58 15.408 -2.360 -7.847 1.00 0.00 C ATOM 811 OE1 GLN A 58 15.214 -2.408 -6.652 1.00 0.00 O ATOM 812 NE2 GLN A 58 16.339 -3.118 -8.374 1.00 0.00 N ATOM 0 H GLN A 58 12.941 -3.129 -6.745 1.00 0.00 H new ATOM 0 HA GLN A 58 12.441 -0.478 -7.536 1.00 0.00 H new ATOM 0 HB2 GLN A 58 13.140 -3.116 -8.878 1.00 0.00 H new ATOM 0 HB3 GLN A 58 12.733 -1.744 -9.888 1.00 0.00 H new ATOM 0 HG2 GLN A 58 15.029 -1.471 -9.763 1.00 0.00 H new ATOM 0 HG3 GLN A 58 14.540 -0.478 -8.404 1.00 0.00 H new ATOM 0 HE21 GLN A 58 16.513 -3.088 -9.379 1.00 0.00 H new ATOM 0 HE22 GLN A 58 16.889 -3.738 -7.779 1.00 0.00 H new ATOM 821 N ALA A 59 10.098 -2.650 -8.372 1.00 0.00 N ATOM 822 CA ALA A 59 8.705 -2.752 -8.805 1.00 0.00 C ATOM 823 C ALA A 59 7.749 -2.149 -7.766 1.00 0.00 C ATOM 824 O ALA A 59 6.770 -1.501 -8.115 1.00 0.00 O ATOM 825 CB ALA A 59 8.366 -4.221 -9.088 1.00 0.00 C ATOM 0 H ALA A 59 10.511 -3.536 -8.083 1.00 0.00 H new ATOM 0 HA ALA A 59 8.578 -2.176 -9.722 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.328 -4.299 -9.411 1.00 0.00 H new ATOM 0 HB2 ALA A 59 9.020 -4.601 -9.873 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.509 -4.809 -8.181 1.00 0.00 H new ATOM 831 N GLU A 60 8.063 -2.313 -6.479 1.00 0.00 N ATOM 832 CA GLU A 60 7.228 -1.805 -5.387 1.00 0.00 C ATOM 833 C GLU A 60 7.421 -0.305 -5.196 1.00 0.00 C ATOM 834 O GLU A 60 6.485 0.398 -4.827 1.00 0.00 O ATOM 835 CB GLU A 60 7.550 -2.519 -4.067 1.00 0.00 C ATOM 836 CG GLU A 60 7.491 -4.057 -4.159 1.00 0.00 C ATOM 837 CD GLU A 60 6.087 -4.652 -4.275 1.00 0.00 C ATOM 838 OE1 GLU A 60 5.171 -3.955 -4.770 1.00 0.00 O ATOM 839 OE2 GLU A 60 5.934 -5.825 -3.863 1.00 0.00 O ATOM 0 H GLU A 60 8.902 -2.801 -6.164 1.00 0.00 H new ATOM 0 HA GLU A 60 6.192 -2.002 -5.662 1.00 0.00 H new ATOM 0 HB2 GLU A 60 8.546 -2.222 -3.738 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.849 -2.183 -3.303 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.075 -4.375 -5.023 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.973 -4.476 -3.276 1.00 0.00 H new ATOM 846 N SER A 61 8.622 0.208 -5.487 1.00 0.00 N ATOM 847 CA SER A 61 8.961 1.621 -5.394 1.00 0.00 C ATOM 848 C SER A 61 8.018 2.477 -6.207 1.00 0.00 C ATOM 849 O SER A 61 7.769 3.614 -5.822 1.00 0.00 O ATOM 850 CB SER A 61 10.408 1.922 -5.805 1.00 0.00 C ATOM 851 OG SER A 61 10.677 1.948 -7.197 1.00 0.00 O ATOM 0 H SER A 61 9.402 -0.369 -5.802 1.00 0.00 H new ATOM 0 HA SER A 61 8.856 1.873 -4.339 1.00 0.00 H new ATOM 0 HB2 SER A 61 10.688 2.888 -5.385 1.00 0.00 H new ATOM 0 HB3 SER A 61 11.056 1.175 -5.346 1.00 0.00 H new ATOM 0 HG SER A 61 10.486 1.068 -7.584 1.00 0.00 H new ATOM 857 N ALA A 62 7.501 1.936 -7.314 1.00 0.00 N ATOM 858 CA ALA A 62 6.520 2.595 -8.160 1.00 0.00 C ATOM 859 C ALA A 62 5.264 3.022 -7.392 1.00 0.00 C ATOM 860 O ALA A 62 4.749 4.095 -7.681 1.00 0.00 O ATOM 861 CB ALA A 62 6.139 1.666 -9.313 1.00 0.00 C ATOM 0 H ALA A 62 7.763 1.008 -7.648 1.00 0.00 H new ATOM 0 HA ALA A 62 6.979 3.507 -8.543 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.403 2.158 -9.949 1.00 0.00 H new ATOM 0 HB2 ALA A 62 7.027 1.432 -9.900 1.00 0.00 H new ATOM 0 HB3 ALA A 62 5.715 0.745 -8.913 1.00 0.00 H new ATOM 867 N SER A 63 4.841 2.234 -6.391 1.00 0.00 N ATOM 868 CA SER A 63 3.685 2.508 -5.521 1.00 0.00 C ATOM 869 C SER A 63 3.684 3.946 -5.013 1.00 0.00 C ATOM 870 O SER A 63 2.708 4.669 -5.193 1.00 0.00 O ATOM 871 CB SER A 63 3.693 1.551 -4.321 1.00 0.00 C ATOM 872 OG SER A 63 2.678 1.828 -3.377 1.00 0.00 O ATOM 0 H SER A 63 5.310 1.359 -6.157 1.00 0.00 H new ATOM 0 HA SER A 63 2.786 2.356 -6.118 1.00 0.00 H new ATOM 0 HB2 SER A 63 3.576 0.528 -4.680 1.00 0.00 H new ATOM 0 HB3 SER A 63 4.663 1.607 -3.827 1.00 0.00 H new ATOM 0 HG SER A 63 2.734 1.186 -2.639 1.00 0.00 H new ATOM 878 N CYS A 64 4.802 4.364 -4.414 1.00 0.00 N ATOM 879 CA CYS A 64 4.984 5.741 -3.987 1.00 0.00 C ATOM 880 C CYS A 64 5.552 6.585 -5.133 1.00 0.00 C ATOM 881 O CYS A 64 4.949 7.581 -5.533 1.00 0.00 O ATOM 882 CB CYS A 64 5.856 5.762 -2.726 1.00 0.00 C ATOM 883 SG CYS A 64 4.907 5.625 -1.195 1.00 0.00 S ATOM 0 H CYS A 64 5.597 3.757 -4.215 1.00 0.00 H new ATOM 0 HA CYS A 64 4.026 6.192 -3.729 1.00 0.00 H new ATOM 0 HB2 CYS A 64 6.573 4.942 -2.775 1.00 0.00 H new ATOM 0 HB3 CYS A 64 6.431 6.688 -2.707 1.00 0.00 H new ATOM 888 N GLY A 65 6.708 6.170 -5.676 1.00 0.00 N ATOM 889 CA GLY A 65 7.453 6.864 -6.727 1.00 0.00 C ATOM 890 C GLY A 65 7.445 8.373 -6.533 1.00 0.00 C ATOM 891 O GLY A 65 7.503 8.838 -5.410 1.00 0.00 O ATOM 0 H GLY A 65 7.163 5.307 -5.380 1.00 0.00 H new ATOM 0 HA2 GLY A 65 8.482 6.506 -6.738 1.00 0.00 H new ATOM 0 HA3 GLY A 65 7.021 6.621 -7.698 1.00 0.00 H new ATOM 895 N LYS A 66 7.452 9.165 -7.608 1.00 0.00 N ATOM 896 CA LYS A 66 7.344 10.640 -7.513 1.00 0.00 C ATOM 897 C LYS A 66 8.282 11.269 -6.463 1.00 0.00 C ATOM 898 O LYS A 66 7.880 12.094 -5.652 1.00 0.00 O ATOM 899 CB LYS A 66 5.881 11.039 -7.235 1.00 0.00 C ATOM 900 CG LYS A 66 4.900 10.568 -8.312 1.00 0.00 C ATOM 901 CD LYS A 66 3.567 11.308 -8.151 1.00 0.00 C ATOM 902 CE LYS A 66 2.490 10.647 -9.016 1.00 0.00 C ATOM 903 NZ LYS A 66 1.142 11.179 -8.699 1.00 0.00 N ATOM 0 H LYS A 66 7.531 8.816 -8.563 1.00 0.00 H new ATOM 0 HA LYS A 66 7.667 11.037 -8.475 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.577 10.625 -6.273 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.819 12.124 -7.149 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.314 10.755 -9.303 1.00 0.00 H new ATOM 0 HG3 LYS A 66 4.743 9.492 -8.230 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.261 11.298 -7.105 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.685 12.353 -8.439 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.712 10.817 -10.070 1.00 0.00 H new ATOM 0 HE3 LYS A 66 2.504 9.569 -8.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 0.434 10.712 -9.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 0.922 10.995 -7.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 1.123 12.204 -8.874 1.00 0.00 H new ATOM 917 N GLY A 67 9.546 10.844 -6.472 1.00 0.00 N ATOM 918 CA GLY A 67 10.511 11.277 -5.457 1.00 0.00 C ATOM 919 C GLY A 67 10.426 10.502 -4.136 1.00 0.00 C ATOM 920 O GLY A 67 10.900 10.974 -3.114 1.00 0.00 O ATOM 0 H GLY A 67 9.926 10.202 -7.168 1.00 0.00 H new ATOM 0 HA2 GLY A 67 11.518 11.173 -5.862 1.00 0.00 H new ATOM 0 HA3 GLY A 67 10.357 12.337 -5.254 1.00 0.00 H new ATOM 924 N GLN A 68 9.832 9.314 -4.139 1.00 0.00 N ATOM 925 CA GLN A 68 9.687 8.425 -2.989 1.00 0.00 C ATOM 926 C GLN A 68 9.929 6.975 -3.408 1.00 0.00 C ATOM 927 O GLN A 68 9.742 6.590 -4.570 1.00 0.00 O ATOM 928 CB GLN A 68 8.306 8.603 -2.332 1.00 0.00 C ATOM 929 CG GLN A 68 8.171 9.958 -1.627 1.00 0.00 C ATOM 930 CD GLN A 68 7.110 9.908 -0.539 1.00 0.00 C ATOM 931 OE1 GLN A 68 5.916 9.909 -0.787 1.00 0.00 O ATOM 932 NE2 GLN A 68 7.518 9.840 0.709 1.00 0.00 N ATOM 0 H GLN A 68 9.417 8.924 -4.985 1.00 0.00 H new ATOM 0 HA GLN A 68 10.438 8.688 -2.244 1.00 0.00 H new ATOM 0 HB2 GLN A 68 7.530 8.511 -3.092 1.00 0.00 H new ATOM 0 HB3 GLN A 68 8.143 7.802 -1.611 1.00 0.00 H new ATOM 0 HG2 GLN A 68 9.129 10.241 -1.192 1.00 0.00 H new ATOM 0 HG3 GLN A 68 7.912 10.726 -2.356 1.00 0.00 H new ATOM 0 HE21 GLN A 68 8.516 9.839 0.920 1.00 0.00 H new ATOM 0 HE22 GLN A 68 6.837 9.788 1.466 1.00 0.00 H new ATOM 941 N LYS A 69 10.415 6.165 -2.469 1.00 0.00 N ATOM 942 CA LYS A 69 10.675 4.736 -2.662 1.00 0.00 C ATOM 943 C LYS A 69 9.865 3.920 -1.661 1.00 0.00 C ATOM 944 O LYS A 69 9.424 4.424 -0.633 1.00 0.00 O ATOM 945 CB LYS A 69 12.177 4.447 -2.518 1.00 0.00 C ATOM 946 CG LYS A 69 13.053 5.148 -3.567 1.00 0.00 C ATOM 947 CD LYS A 69 13.291 4.351 -4.855 1.00 0.00 C ATOM 948 CE LYS A 69 12.245 4.703 -5.920 1.00 0.00 C ATOM 949 NZ LYS A 69 12.626 5.896 -6.706 1.00 0.00 N ATOM 0 H LYS A 69 10.645 6.490 -1.530 1.00 0.00 H new ATOM 0 HA LYS A 69 10.368 4.449 -3.668 1.00 0.00 H new ATOM 0 HB2 LYS A 69 12.502 4.755 -1.524 1.00 0.00 H new ATOM 0 HB3 LYS A 69 12.337 3.371 -2.586 1.00 0.00 H new ATOM 0 HG2 LYS A 69 12.589 6.099 -3.828 1.00 0.00 H new ATOM 0 HG3 LYS A 69 14.019 5.377 -3.116 1.00 0.00 H new ATOM 0 HD2 LYS A 69 14.290 4.561 -5.238 1.00 0.00 H new ATOM 0 HD3 LYS A 69 13.250 3.283 -4.639 1.00 0.00 H new ATOM 0 HE2 LYS A 69 12.113 3.855 -6.592 1.00 0.00 H new ATOM 0 HE3 LYS A 69 11.284 4.880 -5.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 11.890 6.096 -7.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 12.726 6.713 -6.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 13.530 5.720 -7.188 1.00 0.00 H new ATOM 963 N CYS A 70 9.643 2.655 -1.999 1.00 0.00 N ATOM 964 CA CYS A 70 8.888 1.721 -1.164 1.00 0.00 C ATOM 965 C CYS A 70 9.832 0.793 -0.406 1.00 0.00 C ATOM 966 O CYS A 70 10.269 -0.215 -0.966 1.00 0.00 O ATOM 967 CB CYS A 70 7.921 0.899 -2.017 1.00 0.00 C ATOM 968 SG CYS A 70 6.972 -0.282 -1.019 1.00 0.00 S ATOM 0 H CYS A 70 9.984 2.243 -2.867 1.00 0.00 H new ATOM 0 HA CYS A 70 8.313 2.301 -0.442 1.00 0.00 H new ATOM 0 HB2 CYS A 70 7.235 1.569 -2.536 1.00 0.00 H new ATOM 0 HB3 CYS A 70 8.480 0.360 -2.782 1.00 0.00 H new ATOM 0 HG CYS A 70 6.024 -0.799 -1.743 1.00 0.00 H new ATOM 973 N CYS A 71 10.143 1.133 0.842 1.00 0.00 N ATOM 974 CA CYS A 71 10.988 0.318 1.702 1.00 0.00 C ATOM 975 C CYS A 71 10.162 -0.694 2.503 1.00 0.00 C ATOM 976 O CYS A 71 9.060 -0.403 2.951 1.00 0.00 O ATOM 977 CB CYS A 71 11.805 1.218 2.631 1.00 0.00 C ATOM 978 SG CYS A 71 13.237 1.984 1.830 1.00 0.00 S ATOM 0 H CYS A 71 9.812 1.989 1.286 1.00 0.00 H new ATOM 0 HA CYS A 71 11.672 -0.252 1.073 1.00 0.00 H new ATOM 0 HB2 CYS A 71 11.158 2.002 3.024 1.00 0.00 H new ATOM 0 HB3 CYS A 71 12.148 0.630 3.483 1.00 0.00 H new ATOM 983 N VAL A 72 10.706 -1.886 2.725 1.00 0.00 N ATOM 984 CA VAL A 72 10.069 -2.948 3.517 1.00 0.00 C ATOM 985 C VAL A 72 10.878 -3.219 4.781 1.00 0.00 C ATOM 986 O VAL A 72 12.111 -3.235 4.764 1.00 0.00 O ATOM 987 CB VAL A 72 9.886 -4.222 2.671 1.00 0.00 C ATOM 988 CG1 VAL A 72 11.231 -4.870 2.308 1.00 0.00 C ATOM 989 CG2 VAL A 72 8.985 -5.255 3.370 1.00 0.00 C ATOM 0 H VAL A 72 11.619 -2.152 2.355 1.00 0.00 H new ATOM 0 HA VAL A 72 9.076 -2.616 3.821 1.00 0.00 H new ATOM 0 HB VAL A 72 9.396 -3.903 1.751 1.00 0.00 H new ATOM 0 HG11 VAL A 72 11.054 -5.765 1.711 1.00 0.00 H new ATOM 0 HG12 VAL A 72 11.832 -4.164 1.734 1.00 0.00 H new ATOM 0 HG13 VAL A 72 11.762 -5.141 3.220 1.00 0.00 H new ATOM 0 HG21 VAL A 72 8.884 -6.137 2.737 1.00 0.00 H new ATOM 0 HG22 VAL A 72 9.431 -5.541 4.323 1.00 0.00 H new ATOM 0 HG23 VAL A 72 8.001 -4.820 3.546 1.00 0.00 H new ATOM 999 N TRP A 73 10.172 -3.490 5.877 1.00 0.00 N ATOM 1000 CA TRP A 73 10.772 -3.863 7.152 1.00 0.00 C ATOM 1001 C TRP A 73 10.562 -5.327 7.489 1.00 0.00 C ATOM 1002 O TRP A 73 11.528 -6.080 7.599 1.00 0.00 O ATOM 1003 CB TRP A 73 10.235 -2.949 8.253 1.00 0.00 C ATOM 1004 CG TRP A 73 10.693 -1.536 8.124 1.00 0.00 C ATOM 1005 CD1 TRP A 73 9.898 -0.445 8.084 1.00 0.00 C ATOM 1006 CD2 TRP A 73 12.062 -1.056 7.985 1.00 0.00 C ATOM 1007 NE1 TRP A 73 10.684 0.683 7.940 1.00 0.00 N ATOM 1008 CE2 TRP A 73 12.026 0.363 7.871 1.00 0.00 C ATOM 1009 CE3 TRP A 73 13.329 -1.679 7.942 1.00 0.00 C ATOM 1010 CZ2 TRP A 73 13.192 1.129 7.727 1.00 0.00 C ATOM 1011 CZ3 TRP A 73 14.506 -0.924 7.788 1.00 0.00 C ATOM 1012 CH2 TRP A 73 14.439 0.477 7.685 1.00 0.00 C ATOM 0 H TRP A 73 9.153 -3.456 5.902 1.00 0.00 H new ATOM 0 HA TRP A 73 11.851 -3.730 7.071 1.00 0.00 H new ATOM 0 HB2 TRP A 73 9.145 -2.973 8.236 1.00 0.00 H new ATOM 0 HB3 TRP A 73 10.547 -3.338 9.222 1.00 0.00 H new ATOM 0 HD1 TRP A 73 8.820 -0.453 8.153 1.00 0.00 H new ATOM 0 HE1 TRP A 73 10.318 1.634 7.891 1.00 0.00 H new ATOM 0 HE3 TRP A 73 13.395 -2.753 8.029 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 13.134 2.205 7.649 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 15.464 -1.422 7.749 1.00 0.00 H new ATOM 0 HH2 TRP A 73 15.345 1.053 7.574 1.00 0.00 H new