USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 438 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 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 CYS SG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.0546 X(o=-0.055,f=-0.27) USER MOD Single : A 14 ASN : amide:sc= -0.174 X(o=-0.17,f=-0.26) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 38 SER OG : rot -8:sc= -0.335 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.199 USER MOD Single : A 42 ASN : amide:sc= -0.485 K(o=-0.48,f=-8!) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ -147:sc= -0.245 (180deg=-1.07) USER MOD Single : A 50 SER OG : rot 180:sc= -0.0422 USER MOD Single : A 51 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 54 LYS NZ :NH3+ 155:sc= 0.814 (180deg=0.444) USER MOD ----------------------------------------------------------------- ATOM 20 N ARG A 2 -1.799 11.102 3.938 1.00 0.00 N ATOM 21 CA ARG A 2 -2.228 9.804 4.448 1.00 0.00 C ATOM 22 C ARG A 2 -1.365 8.683 3.877 1.00 0.00 C ATOM 23 O ARG A 2 -1.357 8.445 2.669 1.00 0.00 O ATOM 24 CB ARG A 2 -3.698 9.556 4.105 1.00 0.00 C ATOM 25 CG ARG A 2 -4.390 8.596 5.059 1.00 0.00 C ATOM 26 CD ARG A 2 -5.736 8.139 4.517 1.00 0.00 C ATOM 27 NE ARG A 2 -6.840 8.928 5.061 1.00 0.00 N ATOM 28 CZ ARG A 2 -7.384 9.978 4.447 1.00 0.00 C ATOM 29 NH1 ARG A 2 -6.935 10.376 3.262 1.00 0.00 N ATOM 30 NH2 ARG A 2 -8.382 10.636 5.022 1.00 0.00 N ATOM 0 HA ARG A 2 -2.112 9.812 5.532 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -4.230 10.508 4.111 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -3.765 9.160 3.092 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -3.752 7.729 5.229 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -4.532 9.081 6.025 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -5.735 8.218 3.430 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -5.887 7.087 4.760 1.00 0.00 H new ATOM 0 HE ARG A 2 -7.218 8.657 5.969 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -6.167 9.877 2.814 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -7.358 11.181 2.800 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -8.732 10.338 5.933 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -8.800 11.440 4.554 1.00 0.00 H new ATOM 44 N GLN A 3 -0.639 7.996 4.754 1.00 0.00 N ATOM 45 CA GLN A 3 0.227 6.899 4.336 1.00 0.00 C ATOM 46 C GLN A 3 0.066 5.695 5.257 1.00 0.00 C ATOM 47 O GLN A 3 -0.303 5.836 6.422 1.00 0.00 O ATOM 48 CB GLN A 3 1.689 7.351 4.321 1.00 0.00 C ATOM 49 CG GLN A 3 1.938 8.576 3.456 1.00 0.00 C ATOM 50 CD GLN A 3 3.209 9.309 3.836 1.00 0.00 C ATOM 51 OE1 GLN A 3 4.274 8.706 3.962 1.00 0.00 O ATOM 52 NE2 GLN A 3 3.102 10.620 4.020 1.00 0.00 N ATOM 0 H GLN A 3 -0.633 8.179 5.757 1.00 0.00 H new ATOM 0 HA GLN A 3 -0.066 6.604 3.328 1.00 0.00 H new ATOM 0 HB2 GLN A 3 2.004 7.567 5.342 1.00 0.00 H new ATOM 0 HB3 GLN A 3 2.311 6.531 3.962 1.00 0.00 H new ATOM 0 HG2 GLN A 3 1.997 8.272 2.411 1.00 0.00 H new ATOM 0 HG3 GLN A 3 1.091 9.256 3.543 1.00 0.00 H new ATOM 0 HE21 GLN A 3 2.198 11.079 3.905 1.00 0.00 H new ATOM 0 HE22 GLN A 3 3.923 11.168 4.276 1.00 0.00 H new ATOM 61 N CYS A 4 0.346 4.510 4.724 1.00 0.00 N ATOM 62 CA CYS A 4 0.233 3.277 5.495 1.00 0.00 C ATOM 63 C CYS A 4 1.266 2.254 5.035 1.00 0.00 C ATOM 64 O CYS A 4 1.627 2.209 3.859 1.00 0.00 O ATOM 65 CB CYS A 4 -1.175 2.689 5.360 1.00 0.00 C ATOM 66 SG CYS A 4 -1.868 2.790 3.692 1.00 0.00 S ATOM 0 H CYS A 4 0.653 4.377 3.760 1.00 0.00 H new ATOM 0 HA CYS A 4 0.420 3.516 6.542 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -1.150 1.644 5.668 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -1.841 3.209 6.049 1.00 0.00 H new ATOM 0 HG CYS A 4 -3.057 2.265 3.684 1.00 0.00 H new ATOM 72 N LYS A 5 1.737 1.431 5.968 1.00 0.00 N ATOM 73 CA LYS A 5 2.725 0.409 5.648 1.00 0.00 C ATOM 74 C LYS A 5 2.170 -0.987 5.903 1.00 0.00 C ATOM 75 O LYS A 5 1.682 -1.284 6.988 1.00 0.00 O ATOM 76 CB LYS A 5 3.995 0.618 6.473 1.00 0.00 C ATOM 77 CG LYS A 5 3.739 0.734 7.968 1.00 0.00 C ATOM 78 CD LYS A 5 4.777 -0.030 8.774 1.00 0.00 C ATOM 79 CE LYS A 5 4.154 -0.712 9.981 1.00 0.00 C ATOM 80 NZ LYS A 5 5.098 -1.661 10.633 1.00 0.00 N ATOM 0 H LYS A 5 1.451 1.453 6.947 1.00 0.00 H new ATOM 0 HA LYS A 5 2.967 0.498 4.589 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.676 -0.214 6.293 1.00 0.00 H new ATOM 0 HB3 LYS A 5 4.498 1.522 6.128 1.00 0.00 H new ATOM 0 HG2 LYS A 5 3.752 1.784 8.260 1.00 0.00 H new ATOM 0 HG3 LYS A 5 2.745 0.351 8.198 1.00 0.00 H new ATOM 0 HD2 LYS A 5 5.255 -0.776 8.139 1.00 0.00 H new ATOM 0 HD3 LYS A 5 5.558 0.654 9.105 1.00 0.00 H new ATOM 0 HE2 LYS A 5 3.842 0.043 10.703 1.00 0.00 H new ATOM 0 HE3 LYS A 5 3.257 -1.248 9.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 4.634 -2.105 11.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 5.377 -2.396 9.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 5.943 -1.146 10.951 1.00 0.00 H new ATOM 94 N VAL A 6 2.252 -1.836 4.888 1.00 0.00 N ATOM 95 CA VAL A 6 1.762 -3.205 4.976 1.00 0.00 C ATOM 96 C VAL A 6 2.495 -3.988 6.061 1.00 0.00 C ATOM 97 O VAL A 6 3.691 -3.796 6.282 1.00 0.00 O ATOM 98 CB VAL A 6 1.927 -3.939 3.631 1.00 0.00 C ATOM 99 CG1 VAL A 6 1.251 -5.298 3.676 1.00 0.00 C ATOM 100 CG2 VAL A 6 1.376 -3.100 2.487 1.00 0.00 C ATOM 0 H VAL A 6 2.658 -1.597 3.984 1.00 0.00 H new ATOM 0 HA VAL A 6 0.704 -3.148 5.230 1.00 0.00 H new ATOM 0 HB VAL A 6 2.992 -4.093 3.456 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.379 -5.800 2.717 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.700 -5.902 4.464 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.188 -5.169 3.879 1.00 0.00 H new ATOM 0 HG21 VAL A 6 1.503 -3.638 1.547 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.316 -2.908 2.655 1.00 0.00 H new ATOM 0 HG23 VAL A 6 1.914 -2.153 2.439 1.00 0.00 H new ATOM 110 N LEU A 7 1.762 -4.864 6.741 1.00 0.00 N ATOM 111 CA LEU A 7 2.328 -5.676 7.816 1.00 0.00 C ATOM 112 C LEU A 7 2.798 -7.038 7.307 1.00 0.00 C ATOM 113 O LEU A 7 3.663 -7.669 7.914 1.00 0.00 O ATOM 114 CB LEU A 7 1.298 -5.866 8.933 1.00 0.00 C ATOM 115 CG LEU A 7 -0.118 -6.214 8.464 1.00 0.00 C ATOM 116 CD1 LEU A 7 -0.142 -7.586 7.806 1.00 0.00 C ATOM 117 CD2 LEU A 7 -1.096 -6.160 9.629 1.00 0.00 C ATOM 0 H LEU A 7 0.771 -5.031 6.567 1.00 0.00 H new ATOM 0 HA LEU A 7 3.196 -5.146 8.207 1.00 0.00 H new ATOM 0 HB2 LEU A 7 1.648 -6.656 9.597 1.00 0.00 H new ATOM 0 HB3 LEU A 7 1.253 -4.951 9.523 1.00 0.00 H new ATOM 0 HG LEU A 7 -0.426 -5.475 7.724 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.156 -7.815 7.480 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.526 -7.588 6.944 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.188 -8.339 8.522 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -2.096 -6.410 9.276 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.791 -6.875 10.393 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -1.101 -5.156 10.053 1.00 0.00 H new ATOM 129 N PHE A 8 2.223 -7.491 6.196 1.00 0.00 N ATOM 130 CA PHE A 8 2.587 -8.783 5.620 1.00 0.00 C ATOM 131 C PHE A 8 3.255 -8.609 4.258 1.00 0.00 C ATOM 132 O PHE A 8 3.413 -7.490 3.770 1.00 0.00 O ATOM 133 CB PHE A 8 1.347 -9.671 5.484 1.00 0.00 C ATOM 134 CG PHE A 8 1.504 -11.026 6.115 1.00 0.00 C ATOM 135 CD1 PHE A 8 1.265 -11.207 7.467 1.00 0.00 C ATOM 136 CD2 PHE A 8 1.891 -12.118 5.354 1.00 0.00 C ATOM 137 CE1 PHE A 8 1.408 -12.452 8.050 1.00 0.00 C ATOM 138 CE2 PHE A 8 2.036 -13.365 5.932 1.00 0.00 C ATOM 139 CZ PHE A 8 1.794 -13.532 7.282 1.00 0.00 C ATOM 0 H PHE A 8 1.505 -6.985 5.678 1.00 0.00 H new ATOM 0 HA PHE A 8 3.299 -9.262 6.292 1.00 0.00 H new ATOM 0 HB2 PHE A 8 0.496 -9.164 5.939 1.00 0.00 H new ATOM 0 HB3 PHE A 8 1.115 -9.797 4.426 1.00 0.00 H new ATOM 0 HD1 PHE A 8 0.963 -10.365 8.073 1.00 0.00 H new ATOM 0 HD2 PHE A 8 2.081 -11.993 4.298 1.00 0.00 H new ATOM 0 HE1 PHE A 8 1.218 -12.580 9.105 1.00 0.00 H new ATOM 0 HE2 PHE A 8 2.338 -14.208 5.329 1.00 0.00 H new ATOM 0 HZ PHE A 8 1.907 -14.506 7.735 1.00 0.00 H new ATOM 149 N GLU A 9 3.649 -9.724 3.652 1.00 0.00 N ATOM 150 CA GLU A 9 4.304 -9.693 2.349 1.00 0.00 C ATOM 151 C GLU A 9 3.323 -10.043 1.234 1.00 0.00 C ATOM 152 O GLU A 9 2.302 -10.690 1.472 1.00 0.00 O ATOM 153 CB GLU A 9 5.486 -10.664 2.327 1.00 0.00 C ATOM 154 CG GLU A 9 6.707 -10.118 1.605 1.00 0.00 C ATOM 155 CD GLU A 9 7.533 -11.207 0.951 1.00 0.00 C ATOM 156 OE1 GLU A 9 7.867 -12.194 1.641 1.00 0.00 O ATOM 157 OE2 GLU A 9 7.848 -11.074 -0.250 1.00 0.00 O ATOM 0 H GLU A 9 3.527 -10.659 4.041 1.00 0.00 H new ATOM 0 HA GLU A 9 4.669 -8.680 2.180 1.00 0.00 H new ATOM 0 HB2 GLU A 9 5.761 -10.912 3.352 1.00 0.00 H new ATOM 0 HB3 GLU A 9 5.175 -11.592 1.847 1.00 0.00 H new ATOM 0 HG2 GLU A 9 6.387 -9.405 0.846 1.00 0.00 H new ATOM 0 HG3 GLU A 9 7.329 -9.571 2.314 1.00 0.00 H new ATOM 164 N TYR A 10 3.640 -9.611 0.017 1.00 0.00 N ATOM 165 CA TYR A 10 2.787 -9.878 -1.136 1.00 0.00 C ATOM 166 C TYR A 10 3.617 -10.004 -2.411 1.00 0.00 C ATOM 167 O TYR A 10 4.616 -9.306 -2.584 1.00 0.00 O ATOM 168 CB TYR A 10 1.749 -8.768 -1.299 1.00 0.00 C ATOM 169 CG TYR A 10 0.723 -9.052 -2.372 1.00 0.00 C ATOM 170 CD1 TYR A 10 -0.121 -10.152 -2.279 1.00 0.00 C ATOM 171 CD2 TYR A 10 0.598 -8.221 -3.479 1.00 0.00 C ATOM 172 CE1 TYR A 10 -1.059 -10.416 -3.258 1.00 0.00 C ATOM 173 CE2 TYR A 10 -0.338 -8.478 -4.462 1.00 0.00 C ATOM 174 CZ TYR A 10 -1.164 -9.576 -4.347 1.00 0.00 C ATOM 175 OH TYR A 10 -2.098 -9.836 -5.324 1.00 0.00 O ATOM 0 H TYR A 10 4.481 -9.075 -0.196 1.00 0.00 H new ATOM 0 HA TYR A 10 2.273 -10.824 -0.963 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.237 -8.619 -0.349 1.00 0.00 H new ATOM 0 HB3 TYR A 10 2.261 -7.835 -1.535 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -0.042 -10.811 -1.427 1.00 0.00 H new ATOM 0 HD2 TYR A 10 1.243 -7.360 -3.572 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -1.707 -11.276 -3.171 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.422 -7.822 -5.316 1.00 0.00 H new ATOM 0 HH TYR A 10 -2.043 -9.149 -6.021 1.00 0.00 H new ATOM 185 N ILE A 11 3.195 -10.898 -3.299 1.00 0.00 N ATOM 186 CA ILE A 11 3.897 -11.116 -4.559 1.00 0.00 C ATOM 187 C ILE A 11 2.990 -10.819 -5.752 1.00 0.00 C ATOM 188 O ILE A 11 2.079 -11.590 -6.052 1.00 0.00 O ATOM 189 CB ILE A 11 4.411 -12.565 -4.669 1.00 0.00 C ATOM 190 CG1 ILE A 11 5.154 -12.965 -3.393 1.00 0.00 C ATOM 191 CG2 ILE A 11 5.314 -12.717 -5.884 1.00 0.00 C ATOM 192 CD1 ILE A 11 6.324 -12.062 -3.067 1.00 0.00 C ATOM 0 H ILE A 11 2.370 -11.484 -3.170 1.00 0.00 H new ATOM 0 HA ILE A 11 4.746 -10.433 -4.572 1.00 0.00 H new ATOM 0 HB ILE A 11 3.555 -13.229 -4.792 1.00 0.00 H new ATOM 0 HG12 ILE A 11 4.455 -12.956 -2.557 1.00 0.00 H new ATOM 0 HG13 ILE A 11 5.513 -13.989 -3.497 1.00 0.00 H new ATOM 0 HG21 ILE A 11 5.669 -13.746 -5.947 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.755 -12.470 -6.786 1.00 0.00 H new ATOM 0 HG23 ILE A 11 6.167 -12.045 -5.790 1.00 0.00 H new ATOM 0 HD11 ILE A 11 6.804 -12.405 -2.150 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.044 -12.089 -3.885 1.00 0.00 H new ATOM 0 HD13 ILE A 11 5.968 -11.041 -2.930 1.00 0.00 H new ATOM 204 N PRO A 12 3.226 -9.694 -6.453 1.00 0.00 N ATOM 205 CA PRO A 12 2.420 -9.308 -7.616 1.00 0.00 C ATOM 206 C PRO A 12 2.711 -10.173 -8.837 1.00 0.00 C ATOM 207 O PRO A 12 3.367 -11.210 -8.733 1.00 0.00 O ATOM 208 CB PRO A 12 2.844 -7.861 -7.872 1.00 0.00 C ATOM 209 CG PRO A 12 4.235 -7.780 -7.348 1.00 0.00 C ATOM 210 CD PRO A 12 4.291 -8.713 -6.169 1.00 0.00 C ATOM 0 HA PRO A 12 1.352 -9.429 -7.432 1.00 0.00 H new ATOM 0 HB2 PRO A 12 2.806 -7.618 -8.934 1.00 0.00 H new ATOM 0 HB3 PRO A 12 2.186 -7.159 -7.361 1.00 0.00 H new ATOM 0 HG2 PRO A 12 4.957 -8.072 -8.111 1.00 0.00 H new ATOM 0 HG3 PRO A 12 4.481 -6.761 -7.050 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.266 -9.193 -6.083 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.112 -8.186 -5.232 1.00 0.00 H new ATOM 218 N GLN A 13 2.219 -9.741 -9.993 1.00 0.00 N ATOM 219 CA GLN A 13 2.427 -10.477 -11.235 1.00 0.00 C ATOM 220 C GLN A 13 2.017 -9.637 -12.441 1.00 0.00 C ATOM 221 O GLN A 13 2.716 -9.603 -13.453 1.00 0.00 O ATOM 222 CB GLN A 13 1.632 -11.784 -11.217 1.00 0.00 C ATOM 223 CG GLN A 13 0.187 -11.610 -10.779 1.00 0.00 C ATOM 224 CD GLN A 13 -0.250 -12.662 -9.778 1.00 0.00 C ATOM 225 OE1 GLN A 13 0.461 -12.954 -8.817 1.00 0.00 O ATOM 226 NE2 GLN A 13 -1.426 -13.238 -10.000 1.00 0.00 N ATOM 0 H GLN A 13 1.674 -8.885 -10.096 1.00 0.00 H new ATOM 0 HA GLN A 13 3.489 -10.706 -11.318 1.00 0.00 H new ATOM 0 HB2 GLN A 13 1.650 -12.225 -12.214 1.00 0.00 H new ATOM 0 HB3 GLN A 13 2.124 -12.490 -10.547 1.00 0.00 H new ATOM 0 HG2 GLN A 13 0.061 -10.621 -10.339 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -0.462 -11.655 -11.654 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -1.983 -12.965 -10.810 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -1.772 -13.953 -9.361 1.00 0.00 H new ATOM 235 N ASN A 14 0.878 -8.963 -12.326 1.00 0.00 N ATOM 236 CA ASN A 14 0.374 -8.125 -13.407 1.00 0.00 C ATOM 237 C ASN A 14 0.995 -6.733 -13.353 1.00 0.00 C ATOM 238 O ASN A 14 1.521 -6.316 -12.321 1.00 0.00 O ATOM 239 CB ASN A 14 -1.150 -8.019 -13.331 1.00 0.00 C ATOM 240 CG ASN A 14 -1.765 -7.581 -14.645 1.00 0.00 C ATOM 241 OD1 ASN A 14 -1.518 -8.182 -15.691 1.00 0.00 O ATOM 242 ND2 ASN A 14 -2.573 -6.527 -14.598 1.00 0.00 N ATOM 0 H ASN A 14 0.287 -8.981 -11.495 1.00 0.00 H new ATOM 0 HA ASN A 14 0.652 -8.591 -14.352 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -1.565 -8.985 -13.043 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -1.424 -7.309 -12.550 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -3.017 -6.186 -15.451 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -2.750 -6.059 -13.709 1.00 0.00 H new ATOM 249 N GLU A 15 0.930 -6.019 -14.472 1.00 0.00 N ATOM 250 CA GLU A 15 1.486 -4.674 -14.554 1.00 0.00 C ATOM 251 C GLU A 15 0.802 -3.739 -13.560 1.00 0.00 C ATOM 252 O GLU A 15 1.405 -2.780 -13.081 1.00 0.00 O ATOM 253 CB GLU A 15 1.336 -4.124 -15.973 1.00 0.00 C ATOM 254 CG GLU A 15 -0.101 -4.096 -16.465 1.00 0.00 C ATOM 255 CD GLU A 15 -0.201 -4.140 -17.978 1.00 0.00 C ATOM 256 OE1 GLU A 15 0.133 -5.191 -18.564 1.00 0.00 O ATOM 257 OE2 GLU A 15 -0.615 -3.125 -18.576 1.00 0.00 O ATOM 0 H GLU A 15 0.498 -6.350 -15.335 1.00 0.00 H new ATOM 0 HA GLU A 15 2.545 -4.731 -14.302 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.743 -3.113 -16.007 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.933 -4.731 -16.654 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.642 -4.944 -16.044 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.589 -3.193 -16.099 1.00 0.00 H new ATOM 264 N ASP A 16 -0.460 -4.025 -13.257 1.00 0.00 N ATOM 265 CA ASP A 16 -1.224 -3.208 -12.321 1.00 0.00 C ATOM 266 C ASP A 16 -1.168 -3.795 -10.914 1.00 0.00 C ATOM 267 O ASP A 16 -2.184 -3.873 -10.221 1.00 0.00 O ATOM 268 CB ASP A 16 -2.678 -3.091 -12.784 1.00 0.00 C ATOM 269 CG ASP A 16 -2.882 -1.953 -13.765 1.00 0.00 C ATOM 270 OD1 ASP A 16 -1.900 -1.555 -14.426 1.00 0.00 O ATOM 271 OD2 ASP A 16 -4.024 -1.459 -13.871 1.00 0.00 O ATOM 0 H ASP A 16 -0.975 -4.815 -13.645 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.778 -2.214 -12.296 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -2.985 -4.028 -13.249 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -3.321 -2.940 -11.917 1.00 0.00 H new ATOM 276 N GLU A 17 0.025 -4.206 -10.496 1.00 0.00 N ATOM 277 CA GLU A 17 0.214 -4.784 -9.170 1.00 0.00 C ATOM 278 C GLU A 17 1.560 -4.372 -8.583 1.00 0.00 C ATOM 279 O GLU A 17 2.604 -4.561 -9.207 1.00 0.00 O ATOM 280 CB GLU A 17 0.120 -6.309 -9.237 1.00 0.00 C ATOM 281 CG GLU A 17 -1.296 -6.823 -9.445 1.00 0.00 C ATOM 282 CD GLU A 17 -1.348 -8.326 -9.637 1.00 0.00 C ATOM 283 OE1 GLU A 17 -0.626 -9.042 -8.912 1.00 0.00 O ATOM 284 OE2 GLU A 17 -2.110 -8.786 -10.513 1.00 0.00 O ATOM 0 H GLU A 17 0.875 -4.150 -11.056 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.576 -4.406 -8.521 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.751 -6.668 -10.050 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.519 -6.730 -8.314 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.908 -6.549 -8.586 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.732 -6.334 -10.316 1.00 0.00 H new ATOM 291 N LEU A 18 1.529 -3.809 -7.380 1.00 0.00 N ATOM 292 CA LEU A 18 2.748 -3.372 -6.710 1.00 0.00 C ATOM 293 C LEU A 18 3.174 -4.377 -5.644 1.00 0.00 C ATOM 294 O LEU A 18 2.387 -5.229 -5.230 1.00 0.00 O ATOM 295 CB LEU A 18 2.545 -1.992 -6.080 1.00 0.00 C ATOM 296 CG LEU A 18 3.685 -1.000 -6.318 1.00 0.00 C ATOM 297 CD1 LEU A 18 3.929 -0.816 -7.808 1.00 0.00 C ATOM 298 CD2 LEU A 18 3.376 0.335 -5.657 1.00 0.00 C ATOM 0 H LEU A 18 0.674 -3.645 -6.849 1.00 0.00 H new ATOM 0 HA LEU A 18 3.539 -3.307 -7.457 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.622 -1.563 -6.471 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.409 -2.116 -5.006 1.00 0.00 H new ATOM 0 HG LEU A 18 4.593 -1.403 -5.869 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.743 -0.107 -7.959 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.195 -1.774 -8.254 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.024 -0.435 -8.281 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.197 1.029 -5.836 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.457 0.745 -6.076 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.252 0.190 -4.584 1.00 0.00 H new ATOM 310 N GLU A 19 4.424 -4.271 -5.203 1.00 0.00 N ATOM 311 CA GLU A 19 4.954 -5.172 -4.187 1.00 0.00 C ATOM 312 C GLU A 19 4.728 -4.610 -2.787 1.00 0.00 C ATOM 313 O GLU A 19 5.386 -3.655 -2.376 1.00 0.00 O ATOM 314 CB GLU A 19 6.448 -5.409 -4.415 1.00 0.00 C ATOM 315 CG GLU A 19 6.756 -6.170 -5.694 1.00 0.00 C ATOM 316 CD GLU A 19 6.728 -5.281 -6.922 1.00 0.00 C ATOM 317 OE1 GLU A 19 7.236 -4.143 -6.842 1.00 0.00 O ATOM 318 OE2 GLU A 19 6.198 -5.723 -7.963 1.00 0.00 O ATOM 0 H GLU A 19 5.088 -3.570 -5.533 1.00 0.00 H new ATOM 0 HA GLU A 19 4.424 -6.121 -4.269 1.00 0.00 H new ATOM 0 HB2 GLU A 19 6.960 -4.447 -4.443 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.853 -5.961 -3.567 1.00 0.00 H new ATOM 0 HG2 GLU A 19 7.738 -6.635 -5.609 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.032 -6.976 -5.816 1.00 0.00 H new ATOM 325 N LEU A 20 3.795 -5.213 -2.058 1.00 0.00 N ATOM 326 CA LEU A 20 3.484 -4.776 -0.702 1.00 0.00 C ATOM 327 C LEU A 20 4.450 -5.398 0.301 1.00 0.00 C ATOM 328 O LEU A 20 4.120 -6.377 0.971 1.00 0.00 O ATOM 329 CB LEU A 20 2.045 -5.150 -0.339 1.00 0.00 C ATOM 330 CG LEU A 20 0.965 -4.466 -1.180 1.00 0.00 C ATOM 331 CD1 LEU A 20 -0.200 -5.412 -1.424 1.00 0.00 C ATOM 332 CD2 LEU A 20 0.487 -3.192 -0.499 1.00 0.00 C ATOM 0 H LEU A 20 3.241 -6.005 -2.383 1.00 0.00 H new ATOM 0 HA LEU A 20 3.591 -3.692 -0.662 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.931 -6.230 -0.437 1.00 0.00 H new ATOM 0 HB3 LEU A 20 1.876 -4.906 0.710 1.00 0.00 H new ATOM 0 HG LEU A 20 1.397 -4.199 -2.144 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.958 -4.908 -2.024 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.154 -6.296 -1.954 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.632 -5.711 -0.469 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.281 -2.718 -1.111 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.072 -3.436 0.479 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.327 -2.508 -0.377 1.00 0.00 H new ATOM 344 N LYS A 21 5.646 -4.826 0.398 1.00 0.00 N ATOM 345 CA LYS A 21 6.658 -5.327 1.320 1.00 0.00 C ATOM 346 C LYS A 21 6.379 -4.853 2.742 1.00 0.00 C ATOM 347 O LYS A 21 5.939 -3.724 2.955 1.00 0.00 O ATOM 348 CB LYS A 21 8.051 -4.870 0.877 1.00 0.00 C ATOM 349 CG LYS A 21 8.988 -6.018 0.535 1.00 0.00 C ATOM 350 CD LYS A 21 9.191 -6.947 1.721 1.00 0.00 C ATOM 351 CE LYS A 21 9.907 -6.247 2.866 1.00 0.00 C ATOM 352 NZ LYS A 21 11.279 -6.786 3.076 1.00 0.00 N ATOM 0 H LYS A 21 5.937 -4.016 -0.150 1.00 0.00 H new ATOM 0 HA LYS A 21 6.621 -6.416 1.307 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.952 -4.221 0.007 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.498 -4.272 1.671 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.582 -6.582 -0.304 1.00 0.00 H new ATOM 0 HG3 LYS A 21 9.951 -5.620 0.215 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.224 -7.314 2.066 1.00 0.00 H new ATOM 0 HD3 LYS A 21 9.769 -7.817 1.408 1.00 0.00 H new ATOM 0 HE2 LYS A 21 9.965 -5.178 2.659 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.327 -6.363 3.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 11.733 -6.283 3.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 11.223 -7.800 3.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 11.841 -6.652 2.211 1.00 0.00 H new ATOM 366 N VAL A 22 6.636 -5.723 3.712 1.00 0.00 N ATOM 367 CA VAL A 22 6.410 -5.391 5.113 1.00 0.00 C ATOM 368 C VAL A 22 7.330 -4.260 5.561 1.00 0.00 C ATOM 369 O VAL A 22 8.543 -4.317 5.362 1.00 0.00 O ATOM 370 CB VAL A 22 6.634 -6.612 6.025 1.00 0.00 C ATOM 371 CG1 VAL A 22 6.239 -6.290 7.459 1.00 0.00 C ATOM 372 CG2 VAL A 22 5.858 -7.815 5.509 1.00 0.00 C ATOM 0 H VAL A 22 7.001 -6.662 3.554 1.00 0.00 H new ATOM 0 HA VAL A 22 5.372 -5.071 5.200 1.00 0.00 H new ATOM 0 HB VAL A 22 7.695 -6.860 6.012 1.00 0.00 H new ATOM 0 HG11 VAL A 22 6.405 -7.165 8.087 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.844 -5.461 7.825 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.185 -6.013 7.493 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.029 -8.667 6.166 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.794 -7.580 5.489 1.00 0.00 H new ATOM 0 HG23 VAL A 22 6.195 -8.060 4.502 1.00 0.00 H new ATOM 382 N GLY A 23 6.743 -3.232 6.166 1.00 0.00 N ATOM 383 CA GLY A 23 7.525 -2.102 6.632 1.00 0.00 C ATOM 384 C GLY A 23 7.642 -0.997 5.597 1.00 0.00 C ATOM 385 O GLY A 23 8.183 0.071 5.885 1.00 0.00 O ATOM 0 H GLY A 23 5.741 -3.162 6.342 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.069 -1.699 7.536 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.523 -2.445 6.904 1.00 0.00 H new ATOM 389 N ASP A 24 7.137 -1.247 4.392 1.00 0.00 N ATOM 390 CA ASP A 24 7.194 -0.255 3.323 1.00 0.00 C ATOM 391 C ASP A 24 5.980 0.665 3.374 1.00 0.00 C ATOM 392 O ASP A 24 4.843 0.202 3.456 1.00 0.00 O ATOM 393 CB ASP A 24 7.272 -0.943 1.960 1.00 0.00 C ATOM 394 CG ASP A 24 8.698 -1.249 1.548 1.00 0.00 C ATOM 395 OD1 ASP A 24 9.273 -2.224 2.075 1.00 0.00 O ATOM 396 OD2 ASP A 24 9.241 -0.512 0.697 1.00 0.00 O ATOM 0 H ASP A 24 6.686 -2.124 4.132 1.00 0.00 H new ATOM 0 HA ASP A 24 8.091 0.347 3.467 1.00 0.00 H new ATOM 0 HB2 ASP A 24 6.699 -1.870 1.990 1.00 0.00 H new ATOM 0 HB3 ASP A 24 6.808 -0.306 1.207 1.00 0.00 H new ATOM 401 N ILE A 25 6.228 1.970 3.328 1.00 0.00 N ATOM 402 CA ILE A 25 5.152 2.952 3.373 1.00 0.00 C ATOM 403 C ILE A 25 4.752 3.402 1.972 1.00 0.00 C ATOM 404 O ILE A 25 5.600 3.771 1.161 1.00 0.00 O ATOM 405 CB ILE A 25 5.548 4.193 4.198 1.00 0.00 C ATOM 406 CG1 ILE A 25 6.208 3.773 5.516 1.00 0.00 C ATOM 407 CG2 ILE A 25 4.326 5.063 4.459 1.00 0.00 C ATOM 408 CD1 ILE A 25 6.423 4.917 6.484 1.00 0.00 C ATOM 0 H ILE A 25 7.163 2.371 3.260 1.00 0.00 H new ATOM 0 HA ILE A 25 4.306 2.460 3.852 1.00 0.00 H new ATOM 0 HB ILE A 25 6.271 4.776 3.628 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.589 3.015 5.996 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.170 3.308 5.298 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.619 5.936 5.042 1.00 0.00 H new ATOM 0 HG22 ILE A 25 3.901 5.387 3.509 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.583 4.489 5.013 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.894 4.541 7.392 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.068 5.666 6.024 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.463 5.368 6.733 1.00 0.00 H new ATOM 420 N ILE A 26 3.452 3.372 1.699 1.00 0.00 N ATOM 421 CA ILE A 26 2.932 3.782 0.401 1.00 0.00 C ATOM 422 C ILE A 26 1.830 4.822 0.565 1.00 0.00 C ATOM 423 O ILE A 26 0.808 4.563 1.200 1.00 0.00 O ATOM 424 CB ILE A 26 2.377 2.582 -0.391 1.00 0.00 C ATOM 425 CG1 ILE A 26 3.361 1.410 -0.344 1.00 0.00 C ATOM 426 CG2 ILE A 26 2.091 2.984 -1.830 1.00 0.00 C ATOM 427 CD1 ILE A 26 2.986 0.346 0.665 1.00 0.00 C ATOM 0 H ILE A 26 2.738 3.067 2.361 1.00 0.00 H new ATOM 0 HA ILE A 26 3.764 4.215 -0.154 1.00 0.00 H new ATOM 0 HB ILE A 26 1.442 2.264 0.070 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.421 0.956 -1.333 1.00 0.00 H new ATOM 0 HG13 ILE A 26 4.355 1.790 -0.107 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.700 2.126 -2.377 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.356 3.789 -1.844 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.012 3.326 -2.302 1.00 0.00 H new ATOM 0 HD11 ILE A 26 3.727 -0.453 0.644 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.955 0.785 1.662 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.006 -0.061 0.417 1.00 0.00 H new ATOM 439 N ASP A 27 2.046 6.003 -0.004 1.00 0.00 N ATOM 440 CA ASP A 27 1.071 7.084 0.089 1.00 0.00 C ATOM 441 C ASP A 27 -0.131 6.821 -0.812 1.00 0.00 C ATOM 442 O ASP A 27 0.003 6.717 -2.031 1.00 0.00 O ATOM 443 CB ASP A 27 1.720 8.417 -0.287 1.00 0.00 C ATOM 444 CG ASP A 27 2.299 8.402 -1.689 1.00 0.00 C ATOM 445 OD1 ASP A 27 1.546 8.685 -2.645 1.00 0.00 O ATOM 446 OD2 ASP A 27 3.504 8.107 -1.831 1.00 0.00 O ATOM 0 H ASP A 27 2.886 6.236 -0.534 1.00 0.00 H new ATOM 0 HA ASP A 27 0.722 7.132 1.121 1.00 0.00 H new ATOM 0 HB2 ASP A 27 0.979 9.213 -0.211 1.00 0.00 H new ATOM 0 HB3 ASP A 27 2.510 8.648 0.427 1.00 0.00 H new ATOM 451 N ILE A 28 -1.307 6.727 -0.200 1.00 0.00 N ATOM 452 CA ILE A 28 -2.540 6.489 -0.942 1.00 0.00 C ATOM 453 C ILE A 28 -3.143 7.805 -1.423 1.00 0.00 C ATOM 454 O ILE A 28 -3.379 8.716 -0.629 1.00 0.00 O ATOM 455 CB ILE A 28 -3.582 5.729 -0.094 1.00 0.00 C ATOM 456 CG1 ILE A 28 -3.703 6.345 1.302 1.00 0.00 C ATOM 457 CG2 ILE A 28 -3.210 4.257 0.004 1.00 0.00 C ATOM 458 CD1 ILE A 28 -4.728 5.658 2.178 1.00 0.00 C ATOM 0 H ILE A 28 -1.432 6.812 0.809 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.280 5.872 -1.802 1.00 0.00 H new ATOM 0 HB ILE A 28 -4.551 5.813 -0.586 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.731 6.305 1.794 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -3.967 7.398 1.204 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -3.953 3.733 0.605 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.179 3.822 -0.995 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.231 4.160 0.473 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -4.760 6.147 3.152 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.709 5.721 1.708 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -4.454 4.611 2.306 1.00 0.00 H new ATOM 470 N ASN A 29 -3.383 7.904 -2.728 1.00 0.00 N ATOM 471 CA ASN A 29 -3.949 9.118 -3.308 1.00 0.00 C ATOM 472 C ASN A 29 -5.421 8.932 -3.665 1.00 0.00 C ATOM 473 O ASN A 29 -6.252 9.790 -3.368 1.00 0.00 O ATOM 474 CB ASN A 29 -3.160 9.527 -4.554 1.00 0.00 C ATOM 475 CG ASN A 29 -2.060 10.523 -4.241 1.00 0.00 C ATOM 476 OD1 ASN A 29 -1.499 10.522 -3.145 1.00 0.00 O ATOM 477 ND2 ASN A 29 -1.746 11.380 -5.206 1.00 0.00 N ATOM 0 H ASN A 29 -3.195 7.161 -3.401 1.00 0.00 H new ATOM 0 HA ASN A 29 -3.879 9.907 -2.560 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -2.723 8.639 -5.012 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -3.841 9.961 -5.286 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -1.014 12.073 -5.054 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -2.237 11.345 -6.099 1.00 0.00 H new ATOM 484 N GLU A 30 -5.738 7.813 -4.309 1.00 0.00 N ATOM 485 CA GLU A 30 -7.112 7.530 -4.710 1.00 0.00 C ATOM 486 C GLU A 30 -7.581 6.185 -4.162 1.00 0.00 C ATOM 487 O GLU A 30 -6.791 5.253 -4.011 1.00 0.00 O ATOM 488 CB GLU A 30 -7.233 7.544 -6.236 1.00 0.00 C ATOM 489 CG GLU A 30 -8.035 8.719 -6.771 1.00 0.00 C ATOM 490 CD GLU A 30 -8.012 8.800 -8.285 1.00 0.00 C ATOM 491 OE1 GLU A 30 -6.940 8.555 -8.877 1.00 0.00 O ATOM 492 OE2 GLU A 30 -9.067 9.107 -8.879 1.00 0.00 O ATOM 0 H GLU A 30 -5.065 7.090 -4.564 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.750 8.309 -4.293 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.234 7.568 -6.671 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.701 6.616 -6.564 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.067 8.634 -6.431 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -7.637 9.645 -6.355 1.00 0.00 H new ATOM 499 N GLU A 31 -8.876 6.094 -3.872 1.00 0.00 N ATOM 500 CA GLU A 31 -9.460 4.866 -3.345 1.00 0.00 C ATOM 501 C GLU A 31 -10.414 4.245 -4.361 1.00 0.00 C ATOM 502 O GLU A 31 -11.513 4.753 -4.587 1.00 0.00 O ATOM 503 CB GLU A 31 -10.200 5.150 -2.035 1.00 0.00 C ATOM 504 CG GLU A 31 -9.608 4.431 -0.834 1.00 0.00 C ATOM 505 CD GLU A 31 -10.608 4.258 0.292 1.00 0.00 C ATOM 506 OE1 GLU A 31 -11.655 3.617 0.063 1.00 0.00 O ATOM 507 OE2 GLU A 31 -10.345 4.763 1.404 1.00 0.00 O ATOM 0 H GLU A 31 -9.541 6.858 -3.994 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.654 4.159 -3.149 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -10.189 6.224 -1.847 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -11.244 4.856 -2.146 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -9.243 3.452 -1.145 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.747 4.991 -0.468 1.00 0.00 H new ATOM 514 N VAL A 32 -9.987 3.145 -4.973 1.00 0.00 N ATOM 515 CA VAL A 32 -10.804 2.458 -5.967 1.00 0.00 C ATOM 516 C VAL A 32 -12.076 1.897 -5.339 1.00 0.00 C ATOM 517 O VAL A 32 -13.178 2.125 -5.839 1.00 0.00 O ATOM 518 CB VAL A 32 -10.027 1.310 -6.641 1.00 0.00 C ATOM 519 CG1 VAL A 32 -10.830 0.724 -7.792 1.00 0.00 C ATOM 520 CG2 VAL A 32 -8.667 1.794 -7.122 1.00 0.00 C ATOM 0 H VAL A 32 -9.081 2.711 -4.798 1.00 0.00 H new ATOM 0 HA VAL A 32 -11.069 3.197 -6.723 1.00 0.00 H new ATOM 0 HB VAL A 32 -9.867 0.524 -5.903 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -10.265 -0.085 -8.255 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -11.776 0.336 -7.415 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -11.025 1.500 -8.532 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -8.134 0.969 -7.595 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.802 2.600 -7.843 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -8.090 2.160 -6.273 1.00 0.00 H new ATOM 530 N GLU A 33 -11.917 1.163 -4.243 1.00 0.00 N ATOM 531 CA GLU A 33 -13.054 0.570 -3.549 1.00 0.00 C ATOM 532 C GLU A 33 -12.608 -0.128 -2.269 1.00 0.00 C ATOM 533 O GLU A 33 -11.450 -0.025 -1.866 1.00 0.00 O ATOM 534 CB GLU A 33 -13.773 -0.425 -4.464 1.00 0.00 C ATOM 535 CG GLU A 33 -12.934 -1.642 -4.819 1.00 0.00 C ATOM 536 CD GLU A 33 -13.684 -2.946 -4.623 1.00 0.00 C ATOM 537 OE1 GLU A 33 -14.391 -3.371 -5.561 1.00 0.00 O ATOM 538 OE2 GLU A 33 -13.563 -3.542 -3.532 1.00 0.00 O ATOM 0 H GLU A 33 -11.012 0.965 -3.816 1.00 0.00 H new ATOM 0 HA GLU A 33 -13.743 1.371 -3.281 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -14.690 -0.756 -3.977 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -14.066 0.085 -5.382 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -12.611 -1.566 -5.857 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -12.034 -1.649 -4.205 1.00 0.00 H new ATOM 545 N GLU A 34 -13.535 -0.838 -1.634 1.00 0.00 N ATOM 546 CA GLU A 34 -13.237 -1.555 -0.399 1.00 0.00 C ATOM 547 C GLU A 34 -12.599 -2.909 -0.698 1.00 0.00 C ATOM 548 O GLU A 34 -13.113 -3.953 -0.296 1.00 0.00 O ATOM 549 CB GLU A 34 -14.512 -1.745 0.425 1.00 0.00 C ATOM 550 CG GLU A 34 -14.250 -2.035 1.894 1.00 0.00 C ATOM 551 CD GLU A 34 -13.811 -0.804 2.661 1.00 0.00 C ATOM 552 OE1 GLU A 34 -14.245 0.309 2.297 1.00 0.00 O ATOM 553 OE2 GLU A 34 -13.033 -0.953 3.627 1.00 0.00 O ATOM 0 H GLU A 34 -14.499 -0.932 -1.954 1.00 0.00 H new ATOM 0 HA GLU A 34 -12.528 -0.960 0.177 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -15.124 -0.847 0.344 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -15.091 -2.564 -0.001 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -15.155 -2.438 2.348 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -13.482 -2.804 1.978 1.00 0.00 H new ATOM 560 N GLY A 35 -11.474 -2.883 -1.405 1.00 0.00 N ATOM 561 CA GLY A 35 -10.782 -4.111 -1.747 1.00 0.00 C ATOM 562 C GLY A 35 -9.399 -3.855 -2.313 1.00 0.00 C ATOM 563 O GLY A 35 -8.425 -4.484 -1.898 1.00 0.00 O ATOM 0 H GLY A 35 -11.029 -2.032 -1.748 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -10.698 -4.737 -0.859 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -11.373 -4.667 -2.475 1.00 0.00 H new ATOM 567 N TRP A 36 -9.314 -2.927 -3.260 1.00 0.00 N ATOM 568 CA TRP A 36 -8.041 -2.585 -3.884 1.00 0.00 C ATOM 569 C TRP A 36 -7.785 -1.084 -3.802 1.00 0.00 C ATOM 570 O TRP A 36 -8.595 -0.280 -4.262 1.00 0.00 O ATOM 571 CB TRP A 36 -8.027 -3.036 -5.346 1.00 0.00 C ATOM 572 CG TRP A 36 -8.517 -4.438 -5.541 1.00 0.00 C ATOM 573 CD1 TRP A 36 -9.817 -4.855 -5.574 1.00 0.00 C ATOM 574 CD2 TRP A 36 -7.715 -5.609 -5.729 1.00 0.00 C ATOM 575 NE1 TRP A 36 -9.872 -6.213 -5.771 1.00 0.00 N ATOM 576 CE2 TRP A 36 -8.594 -6.699 -5.869 1.00 0.00 C ATOM 577 CE3 TRP A 36 -6.338 -5.842 -5.792 1.00 0.00 C ATOM 578 CZ2 TRP A 36 -8.141 -8.001 -6.069 1.00 0.00 C ATOM 579 CZ3 TRP A 36 -5.889 -7.134 -5.991 1.00 0.00 C ATOM 580 CH2 TRP A 36 -6.788 -8.199 -6.127 1.00 0.00 C ATOM 0 H TRP A 36 -10.112 -2.398 -3.612 1.00 0.00 H new ATOM 0 HA TRP A 36 -7.248 -3.103 -3.344 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -8.646 -2.358 -5.934 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -7.011 -2.957 -5.733 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -10.676 -4.211 -5.462 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -10.725 -6.769 -5.834 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -5.637 -5.027 -5.687 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -8.832 -8.824 -6.174 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -4.827 -7.325 -6.042 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -6.406 -9.197 -6.281 1.00 0.00 H new ATOM 591 N TRP A 37 -6.654 -0.712 -3.211 1.00 0.00 N ATOM 592 CA TRP A 37 -6.293 0.694 -3.067 1.00 0.00 C ATOM 593 C TRP A 37 -5.069 1.032 -3.911 1.00 0.00 C ATOM 594 O TRP A 37 -4.288 0.152 -4.273 1.00 0.00 O ATOM 595 CB TRP A 37 -6.022 1.024 -1.598 1.00 0.00 C ATOM 596 CG TRP A 37 -7.268 1.257 -0.797 1.00 0.00 C ATOM 597 CD1 TRP A 37 -8.549 0.962 -1.167 1.00 0.00 C ATOM 598 CD2 TRP A 37 -7.350 1.835 0.510 1.00 0.00 C ATOM 599 NE1 TRP A 37 -9.422 1.322 -0.169 1.00 0.00 N ATOM 600 CE2 TRP A 37 -8.710 1.860 0.871 1.00 0.00 C ATOM 601 CE3 TRP A 37 -6.405 2.334 1.411 1.00 0.00 C ATOM 602 CZ2 TRP A 37 -9.147 2.364 2.094 1.00 0.00 C ATOM 603 CZ3 TRP A 37 -6.840 2.834 2.624 1.00 0.00 C ATOM 604 CH2 TRP A 37 -8.200 2.845 2.956 1.00 0.00 C ATOM 0 H TRP A 37 -5.972 -1.364 -2.824 1.00 0.00 H new ATOM 0 HA TRP A 37 -7.131 1.296 -3.419 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -5.458 0.207 -1.148 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -5.393 1.913 -1.544 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -8.834 0.512 -2.106 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -10.435 1.207 -0.198 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -5.354 2.329 1.164 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -10.196 2.375 2.352 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -6.119 3.223 3.327 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -8.508 3.241 3.912 1.00 0.00 H new ATOM 615 N SER A 38 -4.907 2.315 -4.220 1.00 0.00 N ATOM 616 CA SER A 38 -3.777 2.773 -5.020 1.00 0.00 C ATOM 617 C SER A 38 -2.838 3.639 -4.186 1.00 0.00 C ATOM 618 O SER A 38 -3.280 4.392 -3.319 1.00 0.00 O ATOM 619 CB SER A 38 -4.272 3.561 -6.235 1.00 0.00 C ATOM 620 OG SER A 38 -3.476 3.293 -7.376 1.00 0.00 O ATOM 0 H SER A 38 -5.544 3.056 -3.928 1.00 0.00 H new ATOM 0 HA SER A 38 -3.227 1.897 -5.364 1.00 0.00 H new ATOM 0 HB2 SER A 38 -5.310 3.301 -6.443 1.00 0.00 H new ATOM 0 HB3 SER A 38 -4.249 4.628 -6.014 1.00 0.00 H new ATOM 0 HG SER A 38 -2.701 2.753 -7.115 1.00 0.00 H new ATOM 626 N GLY A 39 -1.541 3.526 -4.453 1.00 0.00 N ATOM 627 CA GLY A 39 -0.564 4.305 -3.716 1.00 0.00 C ATOM 628 C GLY A 39 0.708 4.541 -4.505 1.00 0.00 C ATOM 629 O GLY A 39 0.840 4.076 -5.637 1.00 0.00 O ATOM 0 H GLY A 39 -1.150 2.910 -5.165 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.001 5.265 -3.443 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.320 3.790 -2.787 1.00 0.00 H new ATOM 633 N THR A 40 1.648 5.265 -3.905 1.00 0.00 N ATOM 634 CA THR A 40 2.917 5.563 -4.558 1.00 0.00 C ATOM 635 C THR A 40 4.084 5.348 -3.599 1.00 0.00 C ATOM 636 O THR A 40 3.997 5.680 -2.417 1.00 0.00 O ATOM 637 CB THR A 40 2.924 7.003 -5.073 1.00 0.00 C ATOM 638 OG1 THR A 40 1.685 7.324 -5.680 1.00 0.00 O ATOM 639 CG2 THR A 40 4.016 7.271 -6.085 1.00 0.00 C ATOM 0 H THR A 40 1.554 5.656 -2.968 1.00 0.00 H new ATOM 0 HA THR A 40 3.032 4.883 -5.402 1.00 0.00 H new ATOM 0 HB THR A 40 3.106 7.623 -4.195 1.00 0.00 H new ATOM 0 HG1 THR A 40 1.708 8.249 -6.002 1.00 0.00 H new ATOM 0 HG21 THR A 40 3.964 8.310 -6.409 1.00 0.00 H new ATOM 0 HG22 THR A 40 4.988 7.080 -5.630 1.00 0.00 H new ATOM 0 HG23 THR A 40 3.883 6.615 -6.946 1.00 0.00 H new ATOM 647 N LEU A 41 5.175 4.792 -4.116 1.00 0.00 N ATOM 648 CA LEU A 41 6.359 4.534 -3.305 1.00 0.00 C ATOM 649 C LEU A 41 7.316 5.723 -3.346 1.00 0.00 C ATOM 650 O LEU A 41 7.367 6.524 -2.412 1.00 0.00 O ATOM 651 CB LEU A 41 7.069 3.267 -3.791 1.00 0.00 C ATOM 652 CG LEU A 41 6.921 2.051 -2.876 1.00 0.00 C ATOM 653 CD1 LEU A 41 6.876 0.770 -3.695 1.00 0.00 C ATOM 654 CD2 LEU A 41 8.060 2.001 -1.869 1.00 0.00 C ATOM 0 H LEU A 41 5.263 4.512 -5.093 1.00 0.00 H new ATOM 0 HA LEU A 41 6.040 4.387 -2.273 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.684 3.009 -4.778 1.00 0.00 H new ATOM 0 HB3 LEU A 41 8.130 3.486 -3.910 1.00 0.00 H new ATOM 0 HG LEU A 41 5.982 2.143 -2.330 1.00 0.00 H new ATOM 0 HD11 LEU A 41 6.770 -0.085 -3.027 1.00 0.00 H new ATOM 0 HD12 LEU A 41 6.027 0.804 -4.378 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.798 0.672 -4.268 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.939 1.129 -1.226 1.00 0.00 H new ATOM 0 HD22 LEU A 41 9.011 1.932 -2.398 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.048 2.905 -1.261 1.00 0.00 H new ATOM 666 N ASN A 42 8.075 5.829 -4.432 1.00 0.00 N ATOM 667 CA ASN A 42 9.032 6.919 -4.593 1.00 0.00 C ATOM 668 C ASN A 42 8.670 7.811 -5.779 1.00 0.00 C ATOM 669 O ASN A 42 9.151 8.939 -5.886 1.00 0.00 O ATOM 670 CB ASN A 42 10.444 6.360 -4.776 1.00 0.00 C ATOM 671 CG ASN A 42 10.522 5.338 -5.893 1.00 0.00 C ATOM 672 OD1 ASN A 42 9.601 5.211 -6.699 1.00 0.00 O ATOM 673 ND2 ASN A 42 11.626 4.601 -5.945 1.00 0.00 N ATOM 0 H ASN A 42 8.046 5.174 -5.213 1.00 0.00 H new ATOM 0 HA ASN A 42 8.997 7.527 -3.689 1.00 0.00 H new ATOM 0 HB2 ASN A 42 11.131 7.179 -4.988 1.00 0.00 H new ATOM 0 HB3 ASN A 42 10.774 5.901 -3.844 1.00 0.00 H new ATOM 0 HD21 ASN A 42 11.735 3.896 -6.674 1.00 0.00 H new ATOM 0 HD22 ASN A 42 12.365 4.740 -5.256 1.00 0.00 H new ATOM 680 N ASN A 43 7.821 7.304 -6.671 1.00 0.00 N ATOM 681 CA ASN A 43 7.406 8.064 -7.846 1.00 0.00 C ATOM 682 C ASN A 43 6.402 7.278 -8.686 1.00 0.00 C ATOM 683 O ASN A 43 5.502 7.856 -9.295 1.00 0.00 O ATOM 684 CB ASN A 43 8.622 8.433 -8.698 1.00 0.00 C ATOM 685 CG ASN A 43 8.538 9.844 -9.246 1.00 0.00 C ATOM 686 OD1 ASN A 43 7.777 10.118 -10.174 1.00 0.00 O ATOM 687 ND2 ASN A 43 9.322 10.750 -8.673 1.00 0.00 N ATOM 0 H ASN A 43 7.409 6.373 -6.602 1.00 0.00 H new ATOM 0 HA ASN A 43 6.922 8.977 -7.499 1.00 0.00 H new ATOM 0 HB2 ASN A 43 9.526 8.333 -8.098 1.00 0.00 H new ATOM 0 HB3 ASN A 43 8.709 7.729 -9.526 1.00 0.00 H new ATOM 0 HD21 ASN A 43 9.308 11.716 -9.000 1.00 0.00 H new ATOM 0 HD22 ASN A 43 9.938 10.480 -7.906 1.00 0.00 H new ATOM 694 N LYS A 44 6.564 5.958 -8.720 1.00 0.00 N ATOM 695 CA LYS A 44 5.673 5.099 -9.490 1.00 0.00 C ATOM 696 C LYS A 44 4.444 4.714 -8.672 1.00 0.00 C ATOM 697 O LYS A 44 4.547 4.410 -7.484 1.00 0.00 O ATOM 698 CB LYS A 44 6.412 3.840 -9.943 1.00 0.00 C ATOM 699 CG LYS A 44 5.915 3.284 -11.268 1.00 0.00 C ATOM 700 CD LYS A 44 6.865 2.236 -11.827 1.00 0.00 C ATOM 701 CE LYS A 44 6.147 0.926 -12.113 1.00 0.00 C ATOM 702 NZ LYS A 44 5.384 0.442 -10.930 1.00 0.00 N ATOM 0 H LYS A 44 7.304 5.461 -8.223 1.00 0.00 H new ATOM 0 HA LYS A 44 5.343 5.655 -10.367 1.00 0.00 H new ATOM 0 HB2 LYS A 44 7.475 4.064 -10.029 1.00 0.00 H new ATOM 0 HB3 LYS A 44 6.309 3.073 -9.176 1.00 0.00 H new ATOM 0 HG2 LYS A 44 4.927 2.844 -11.131 1.00 0.00 H new ATOM 0 HG3 LYS A 44 5.805 4.097 -11.986 1.00 0.00 H new ATOM 0 HD2 LYS A 44 7.321 2.609 -12.744 1.00 0.00 H new ATOM 0 HD3 LYS A 44 7.673 2.061 -11.117 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.466 1.061 -12.954 1.00 0.00 H new ATOM 0 HE3 LYS A 44 6.874 0.170 -12.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 5.386 -0.598 -10.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 5.828 0.800 -10.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 4.404 0.786 -10.985 1.00 0.00 H new ATOM 716 N LEU A 45 3.281 4.731 -9.317 1.00 0.00 N ATOM 717 CA LEU A 45 2.031 4.386 -8.651 1.00 0.00 C ATOM 718 C LEU A 45 1.574 2.982 -9.037 1.00 0.00 C ATOM 719 O LEU A 45 1.801 2.531 -10.160 1.00 0.00 O ATOM 720 CB LEU A 45 0.943 5.402 -9.006 1.00 0.00 C ATOM 721 CG LEU A 45 1.334 6.867 -8.806 1.00 0.00 C ATOM 722 CD1 LEU A 45 1.851 7.463 -10.106 1.00 0.00 C ATOM 723 CD2 LEU A 45 0.151 7.669 -8.283 1.00 0.00 C ATOM 0 H LEU A 45 3.179 4.980 -10.301 1.00 0.00 H new ATOM 0 HA LEU A 45 2.206 4.408 -7.575 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.658 5.257 -10.048 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.060 5.192 -8.402 1.00 0.00 H new ATOM 0 HG LEU A 45 2.133 6.912 -8.066 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.124 8.506 -9.945 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.727 6.906 -10.439 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.073 7.405 -10.867 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.448 8.709 -8.147 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.669 7.617 -8.999 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.174 7.257 -7.328 1.00 0.00 H new ATOM 735 N GLY A 46 0.929 2.299 -8.098 1.00 0.00 N ATOM 736 CA GLY A 46 0.446 0.955 -8.355 1.00 0.00 C ATOM 737 C GLY A 46 -0.820 0.640 -7.583 1.00 0.00 C ATOM 738 O GLY A 46 -1.286 1.453 -6.785 1.00 0.00 O ATOM 0 H GLY A 46 0.732 2.653 -7.162 1.00 0.00 H new ATOM 0 HA2 GLY A 46 0.257 0.837 -9.422 1.00 0.00 H new ATOM 0 HA3 GLY A 46 1.220 0.236 -8.087 1.00 0.00 H new ATOM 742 N LEU A 47 -1.379 -0.543 -7.819 1.00 0.00 N ATOM 743 CA LEU A 47 -2.599 -0.958 -7.136 1.00 0.00 C ATOM 744 C LEU A 47 -2.434 -2.342 -6.517 1.00 0.00 C ATOM 745 O LEU A 47 -1.703 -3.184 -7.039 1.00 0.00 O ATOM 746 CB LEU A 47 -3.779 -0.959 -8.110 1.00 0.00 C ATOM 747 CG LEU A 47 -4.101 0.398 -8.739 1.00 0.00 C ATOM 748 CD1 LEU A 47 -3.329 0.581 -10.036 1.00 0.00 C ATOM 749 CD2 LEU A 47 -5.597 0.530 -8.983 1.00 0.00 C ATOM 0 H LEU A 47 -1.008 -1.229 -8.476 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.797 -0.244 -6.336 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.571 -1.672 -8.908 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.664 -1.318 -7.584 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.796 1.181 -8.045 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.570 1.552 -10.469 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.259 0.530 -9.833 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.603 -0.208 -10.737 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.808 1.501 -9.431 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.927 -0.260 -9.658 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -6.129 0.444 -8.036 1.00 0.00 H new ATOM 761 N PHE A 48 -3.120 -2.570 -5.402 1.00 0.00 N ATOM 762 CA PHE A 48 -3.052 -3.851 -4.708 1.00 0.00 C ATOM 763 C PHE A 48 -4.164 -3.964 -3.667 1.00 0.00 C ATOM 764 O PHE A 48 -4.829 -2.978 -3.349 1.00 0.00 O ATOM 765 CB PHE A 48 -1.687 -4.033 -4.037 1.00 0.00 C ATOM 766 CG PHE A 48 -1.076 -2.756 -3.528 1.00 0.00 C ATOM 767 CD1 PHE A 48 -1.860 -1.792 -2.913 1.00 0.00 C ATOM 768 CD2 PHE A 48 0.283 -2.523 -3.665 1.00 0.00 C ATOM 769 CE1 PHE A 48 -1.298 -0.619 -2.444 1.00 0.00 C ATOM 770 CE2 PHE A 48 0.850 -1.353 -3.197 1.00 0.00 C ATOM 771 CZ PHE A 48 0.059 -0.400 -2.587 1.00 0.00 C ATOM 0 H PHE A 48 -3.730 -1.883 -4.959 1.00 0.00 H new ATOM 0 HA PHE A 48 -3.186 -4.640 -5.449 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.793 -4.729 -3.205 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -1.002 -4.492 -4.750 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -2.921 -1.959 -2.799 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.906 -3.264 -4.143 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -1.919 0.125 -1.967 1.00 0.00 H new ATOM 0 HE2 PHE A 48 1.911 -1.184 -3.308 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.500 0.516 -2.222 1.00 0.00 H new ATOM 781 N PRO A 49 -4.386 -5.174 -3.124 1.00 0.00 N ATOM 782 CA PRO A 49 -5.429 -5.407 -2.119 1.00 0.00 C ATOM 783 C PRO A 49 -5.252 -4.524 -0.888 1.00 0.00 C ATOM 784 O PRO A 49 -4.221 -4.573 -0.217 1.00 0.00 O ATOM 785 CB PRO A 49 -5.248 -6.883 -1.745 1.00 0.00 C ATOM 786 CG PRO A 49 -4.535 -7.488 -2.904 1.00 0.00 C ATOM 787 CD PRO A 49 -3.648 -6.407 -3.450 1.00 0.00 C ATOM 0 HA PRO A 49 -6.421 -5.171 -2.503 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.671 -6.990 -0.827 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.209 -7.368 -1.576 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -3.950 -8.354 -2.594 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -5.240 -7.834 -3.660 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.662 -6.422 -2.986 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.496 -6.514 -4.524 1.00 0.00 H new ATOM 795 N SER A 50 -6.267 -3.715 -0.600 1.00 0.00 N ATOM 796 CA SER A 50 -6.232 -2.816 0.548 1.00 0.00 C ATOM 797 C SER A 50 -6.197 -3.594 1.862 1.00 0.00 C ATOM 798 O SER A 50 -5.813 -3.056 2.900 1.00 0.00 O ATOM 799 CB SER A 50 -7.445 -1.885 0.527 1.00 0.00 C ATOM 800 OG SER A 50 -8.647 -2.616 0.355 1.00 0.00 O ATOM 0 H SER A 50 -7.126 -3.664 -1.148 1.00 0.00 H new ATOM 0 HA SER A 50 -5.320 -2.223 0.480 1.00 0.00 H new ATOM 0 HB2 SER A 50 -7.490 -1.320 1.458 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.337 -1.161 -0.281 1.00 0.00 H new ATOM 0 HG SER A 50 -9.407 -1.998 0.347 1.00 0.00 H new ATOM 806 N ASN A 51 -6.607 -4.858 1.813 1.00 0.00 N ATOM 807 CA ASN A 51 -6.627 -5.700 3.004 1.00 0.00 C ATOM 808 C ASN A 51 -5.223 -5.890 3.574 1.00 0.00 C ATOM 809 O ASN A 51 -5.064 -6.218 4.750 1.00 0.00 O ATOM 810 CB ASN A 51 -7.246 -7.060 2.678 1.00 0.00 C ATOM 811 CG ASN A 51 -8.753 -6.987 2.528 1.00 0.00 C ATOM 812 OD1 ASN A 51 -9.324 -5.903 2.405 1.00 0.00 O ATOM 813 ND2 ASN A 51 -9.406 -8.143 2.538 1.00 0.00 N ATOM 0 H ASN A 51 -6.929 -5.321 0.963 1.00 0.00 H new ATOM 0 HA ASN A 51 -7.234 -5.199 3.758 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -6.810 -7.443 1.756 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -6.996 -7.769 3.467 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -10.421 -8.156 2.441 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -8.892 -9.018 2.642 1.00 0.00 H new ATOM 820 N PHE A 52 -4.208 -5.684 2.740 1.00 0.00 N ATOM 821 CA PHE A 52 -2.824 -5.836 3.176 1.00 0.00 C ATOM 822 C PHE A 52 -2.375 -4.629 3.994 1.00 0.00 C ATOM 823 O PHE A 52 -2.320 -4.696 5.221 1.00 0.00 O ATOM 824 CB PHE A 52 -1.903 -6.025 1.968 1.00 0.00 C ATOM 825 CG PHE A 52 -1.982 -7.398 1.362 1.00 0.00 C ATOM 826 CD1 PHE A 52 -3.196 -7.914 0.938 1.00 0.00 C ATOM 827 CD2 PHE A 52 -0.842 -8.171 1.216 1.00 0.00 C ATOM 828 CE1 PHE A 52 -3.271 -9.176 0.380 1.00 0.00 C ATOM 829 CE2 PHE A 52 -0.911 -9.434 0.659 1.00 0.00 C ATOM 830 CZ PHE A 52 -2.127 -9.937 0.240 1.00 0.00 C ATOM 0 H PHE A 52 -4.317 -5.413 1.763 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.764 -6.721 3.809 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.158 -5.286 1.208 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.875 -5.829 2.271 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.094 -7.323 1.045 1.00 0.00 H new ATOM 0 HD2 PHE A 52 0.112 -7.782 1.541 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.223 -9.567 0.054 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.015 -10.027 0.552 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.183 -10.923 -0.196 1.00 0.00 H new ATOM 840 N VAL A 53 -2.050 -3.535 3.293 1.00 0.00 N ATOM 841 CA VAL A 53 -1.598 -2.276 3.908 1.00 0.00 C ATOM 842 C VAL A 53 -1.901 -2.185 5.402 1.00 0.00 C ATOM 843 O VAL A 53 -2.937 -2.656 5.870 1.00 0.00 O ATOM 844 CB VAL A 53 -2.232 -1.063 3.204 1.00 0.00 C ATOM 845 CG1 VAL A 53 -1.580 -0.830 1.850 1.00 0.00 C ATOM 846 CG2 VAL A 53 -3.733 -1.256 3.056 1.00 0.00 C ATOM 0 H VAL A 53 -2.093 -3.497 2.275 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.515 -2.267 3.786 1.00 0.00 H new ATOM 0 HB VAL A 53 -2.062 -0.179 3.819 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -2.041 0.032 1.367 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.515 -0.642 1.986 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.716 -1.712 1.224 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.164 -0.388 2.556 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.928 -2.150 2.464 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -4.184 -1.368 4.042 1.00 0.00 H new ATOM 856 N LYS A 54 -0.998 -1.550 6.143 1.00 0.00 N ATOM 857 CA LYS A 54 -1.180 -1.381 7.577 1.00 0.00 C ATOM 858 C LYS A 54 -0.865 0.047 8.012 1.00 0.00 C ATOM 859 O LYS A 54 0.262 0.518 7.868 1.00 0.00 O ATOM 860 CB LYS A 54 -0.312 -2.372 8.356 1.00 0.00 C ATOM 861 CG LYS A 54 -1.037 -3.028 9.519 1.00 0.00 C ATOM 862 CD LYS A 54 -1.371 -2.019 10.607 1.00 0.00 C ATOM 863 CE LYS A 54 -2.851 -1.671 10.612 1.00 0.00 C ATOM 864 NZ LYS A 54 -3.135 -0.461 11.433 1.00 0.00 N ATOM 0 H LYS A 54 -0.137 -1.146 5.774 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.228 -1.582 7.800 1.00 0.00 H new ATOM 0 HB2 LYS A 54 0.042 -3.146 7.675 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.569 -1.853 8.734 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.954 -3.495 9.161 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.416 -3.822 9.935 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.089 -2.424 11.579 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -0.784 -1.113 10.456 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.188 -1.503 9.589 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.421 -2.515 11.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.010 -0.011 11.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -3.248 -0.736 12.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.345 0.210 11.347 1.00 0.00 H new ATOM 878 N GLU A 55 -1.872 0.730 8.547 1.00 0.00 N ATOM 879 CA GLU A 55 -1.707 2.105 9.006 1.00 0.00 C ATOM 880 C GLU A 55 -0.756 2.170 10.198 1.00 0.00 C ATOM 881 O GLU A 55 -0.834 1.350 11.113 1.00 0.00 O ATOM 882 CB GLU A 55 -3.065 2.703 9.385 1.00 0.00 C ATOM 883 CG GLU A 55 -3.496 3.851 8.487 1.00 0.00 C ATOM 884 CD GLU A 55 -4.872 4.382 8.840 1.00 0.00 C ATOM 885 OE1 GLU A 55 -5.840 3.593 8.803 1.00 0.00 O ATOM 886 OE2 GLU A 55 -4.981 5.586 9.154 1.00 0.00 O ATOM 0 H GLU A 55 -2.812 0.354 8.673 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.277 2.687 8.191 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -3.821 1.919 9.347 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.023 3.055 10.416 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -2.768 4.659 8.562 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.495 3.516 7.450 1.00 0.00 H new ATOM 893 N LEU A 56 0.142 3.150 10.179 1.00 0.00 N ATOM 894 CA LEU A 56 1.109 3.322 11.258 1.00 0.00 C ATOM 895 C LEU A 56 0.427 3.818 12.529 1.00 0.00 C ATOM 896 O LEU A 56 -0.787 4.022 12.556 1.00 0.00 O ATOM 897 CB LEU A 56 2.204 4.303 10.836 1.00 0.00 C ATOM 898 CG LEU A 56 3.173 3.773 9.778 1.00 0.00 C ATOM 899 CD1 LEU A 56 3.800 4.923 9.005 1.00 0.00 C ATOM 900 CD2 LEU A 56 4.249 2.913 10.425 1.00 0.00 C ATOM 0 H LEU A 56 0.220 3.837 9.429 1.00 0.00 H new ATOM 0 HA LEU A 56 1.559 2.352 11.466 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.732 5.208 10.454 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.775 4.589 11.719 1.00 0.00 H new ATOM 0 HG LEU A 56 2.613 3.154 9.077 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.486 4.527 8.257 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.017 5.499 8.511 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.346 5.569 9.693 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.930 2.544 9.658 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.806 3.509 11.148 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.783 2.069 10.933 1.00 0.00 H new