USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 412 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 Set 1.1: A 8 ASN : amide:sc= -0.377 K(o=-0.38,f=-4.6!) USER MOD Set 1.2: A 55 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 45 TYR OH : rot -123:sc= -2.86 USER MOD Set 2.2: A 50 LYS NZ :NH3+ 172:sc= 0.0694 (180deg=0) USER MOD Set 3.1: A 44 THR OG1 : rot 12:sc= -0.373 USER MOD Set 3.2: A 53 THR OG1 : rot 168:sc=-0.000724 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 38:sc= -0.418 USER MOD Single : A 25 THR OG1 : rot -170:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -0.256 K(o=-0.26,f=-3.1!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 ASN : amide:sc= -0.73 K(o=-0.73,f=-5.5!) USER MOD Single : A 49 THR OG1 : rot -45:sc= 1.08 USER MOD Single : A 51 THR OG1 : rot -170:sc= -3.68! USER MOD ----------------------------------------------------------------- ATOM 31 N PHE A 3 8.815 2.353 2.866 1.00 0.00 N ATOM 32 CA PHE A 3 7.714 2.627 1.892 1.00 0.00 C ATOM 33 C PHE A 3 6.430 2.998 2.641 1.00 0.00 C ATOM 34 O PHE A 3 6.349 2.866 3.847 1.00 0.00 O ATOM 35 CB PHE A 3 7.534 1.317 1.121 1.00 0.00 C ATOM 36 CG PHE A 3 8.814 0.981 0.391 1.00 0.00 C ATOM 37 CD1 PHE A 3 9.352 1.888 -0.530 1.00 0.00 C ATOM 38 CD2 PHE A 3 9.466 -0.234 0.640 1.00 0.00 C ATOM 39 CE1 PHE A 3 10.540 1.581 -1.203 1.00 0.00 C ATOM 40 CE2 PHE A 3 10.654 -0.541 -0.034 1.00 0.00 C ATOM 41 CZ PHE A 3 11.191 0.366 -0.955 1.00 0.00 C ATOM 0 HA PHE A 3 7.943 3.460 1.227 1.00 0.00 H new ATOM 0 HB2 PHE A 3 7.272 0.512 1.807 1.00 0.00 H new ATOM 0 HB3 PHE A 3 6.712 1.410 0.411 1.00 0.00 H new ATOM 0 HD1 PHE A 3 8.850 2.825 -0.721 1.00 0.00 H new ATOM 0 HD2 PHE A 3 9.052 -0.933 1.352 1.00 0.00 H new ATOM 0 HE1 PHE A 3 10.955 2.281 -1.913 1.00 0.00 H new ATOM 0 HE2 PHE A 3 11.156 -1.478 0.157 1.00 0.00 H new ATOM 0 HZ PHE A 3 12.108 0.129 -1.475 1.00 0.00 H new ATOM 51 N LYS A 4 5.429 3.464 1.935 1.00 0.00 N ATOM 52 CA LYS A 4 4.149 3.849 2.606 1.00 0.00 C ATOM 53 C LYS A 4 2.951 3.515 1.717 1.00 0.00 C ATOM 54 O LYS A 4 3.061 3.459 0.511 1.00 0.00 O ATOM 55 CB LYS A 4 4.240 5.362 2.804 1.00 0.00 C ATOM 56 CG LYS A 4 3.135 5.821 3.758 1.00 0.00 C ATOM 57 CD LYS A 4 3.243 7.332 3.982 1.00 0.00 C ATOM 58 CE LYS A 4 1.840 7.947 4.037 1.00 0.00 C ATOM 59 NZ LYS A 4 1.886 8.911 5.172 1.00 0.00 N ATOM 0 H LYS A 4 5.443 3.594 0.923 1.00 0.00 H new ATOM 0 HA LYS A 4 4.012 3.313 3.545 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.217 5.628 3.208 1.00 0.00 H new ATOM 0 HB3 LYS A 4 4.142 5.871 1.845 1.00 0.00 H new ATOM 0 HG2 LYS A 4 2.158 5.574 3.344 1.00 0.00 H new ATOM 0 HG3 LYS A 4 3.220 5.295 4.709 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.776 7.535 4.911 1.00 0.00 H new ATOM 0 HD3 LYS A 4 3.820 7.788 3.177 1.00 0.00 H new ATOM 0 HE2 LYS A 4 1.592 8.450 3.102 1.00 0.00 H new ATOM 0 HE3 LYS A 4 1.080 7.183 4.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 0.960 9.373 5.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 2.117 8.403 6.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 2.613 9.631 4.987 1.00 0.00 H new ATOM 73 N LEU A 5 1.805 3.314 2.314 1.00 0.00 N ATOM 74 CA LEU A 5 0.577 3.005 1.523 1.00 0.00 C ATOM 75 C LEU A 5 -0.660 3.423 2.321 1.00 0.00 C ATOM 76 O LEU A 5 -0.778 3.129 3.496 1.00 0.00 O ATOM 77 CB LEU A 5 0.589 1.489 1.303 1.00 0.00 C ATOM 78 CG LEU A 5 -0.111 1.157 -0.029 1.00 0.00 C ATOM 79 CD1 LEU A 5 0.745 0.182 -0.847 1.00 0.00 C ATOM 80 CD2 LEU A 5 -1.477 0.524 0.255 1.00 0.00 C ATOM 0 H LEU A 5 1.666 3.351 3.324 1.00 0.00 H new ATOM 0 HA LEU A 5 0.554 3.538 0.573 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.615 1.121 1.288 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.082 0.987 2.127 1.00 0.00 H new ATOM 0 HG LEU A 5 -0.244 2.077 -0.599 1.00 0.00 H new ATOM 0 HD11 LEU A 5 0.240 -0.045 -1.786 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.714 0.636 -1.056 1.00 0.00 H new ATOM 0 HD13 LEU A 5 0.890 -0.738 -0.281 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -1.972 0.289 -0.687 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -1.341 -0.391 0.831 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -2.091 1.223 0.823 1.00 0.00 H new ATOM 92 N ILE A 6 -1.572 4.116 1.694 1.00 0.00 N ATOM 93 CA ILE A 6 -2.799 4.571 2.411 1.00 0.00 C ATOM 94 C ILE A 6 -3.997 3.698 2.022 1.00 0.00 C ATOM 95 O ILE A 6 -4.179 3.354 0.870 1.00 0.00 O ATOM 96 CB ILE A 6 -2.992 6.019 1.950 1.00 0.00 C ATOM 97 CG1 ILE A 6 -1.787 6.860 2.409 1.00 0.00 C ATOM 98 CG2 ILE A 6 -4.287 6.599 2.536 1.00 0.00 C ATOM 99 CD1 ILE A 6 -1.697 6.877 3.941 1.00 0.00 C ATOM 0 H ILE A 6 -1.520 4.388 0.712 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.710 4.497 3.495 1.00 0.00 H new ATOM 0 HB ILE A 6 -3.064 6.042 0.863 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -0.868 6.450 1.989 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -1.882 7.879 2.033 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -4.410 7.628 2.199 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -5.136 6.004 2.201 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -4.236 6.577 3.625 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.840 7.476 4.248 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -2.608 7.309 4.354 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.579 5.858 4.310 1.00 0.00 H new ATOM 111 N ILE A 7 -4.812 3.342 2.982 1.00 0.00 N ATOM 112 CA ILE A 7 -6.004 2.492 2.688 1.00 0.00 C ATOM 113 C ILE A 7 -7.195 3.373 2.300 1.00 0.00 C ATOM 114 O ILE A 7 -7.679 4.159 3.093 1.00 0.00 O ATOM 115 CB ILE A 7 -6.294 1.741 3.993 1.00 0.00 C ATOM 116 CG1 ILE A 7 -5.073 0.906 4.391 1.00 0.00 C ATOM 117 CG2 ILE A 7 -7.495 0.813 3.799 1.00 0.00 C ATOM 118 CD1 ILE A 7 -5.233 0.431 5.836 1.00 0.00 C ATOM 0 H ILE A 7 -4.702 3.605 3.961 1.00 0.00 H new ATOM 0 HA ILE A 7 -5.828 1.808 1.858 1.00 0.00 H new ATOM 0 HB ILE A 7 -6.514 2.465 4.778 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -4.971 0.050 3.724 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -4.164 1.499 4.290 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -7.698 0.281 4.729 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -8.369 1.402 3.520 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -7.275 0.094 3.010 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -4.365 -0.164 6.122 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.314 1.295 6.496 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -6.134 -0.177 5.922 1.00 0.00 H new ATOM 130 N ASN A 8 -7.672 3.239 1.090 1.00 0.00 N ATOM 131 CA ASN A 8 -8.836 4.058 0.643 1.00 0.00 C ATOM 132 C ASN A 8 -10.046 3.154 0.410 1.00 0.00 C ATOM 133 O ASN A 8 -10.670 3.189 -0.634 1.00 0.00 O ATOM 134 CB ASN A 8 -8.387 4.711 -0.666 1.00 0.00 C ATOM 135 CG ASN A 8 -7.544 5.950 -0.357 1.00 0.00 C ATOM 136 OD1 ASN A 8 -6.968 6.060 0.707 1.00 0.00 O ATOM 137 ND2 ASN A 8 -7.444 6.896 -1.251 1.00 0.00 N ATOM 0 H ASN A 8 -7.304 2.595 0.390 1.00 0.00 H new ATOM 0 HA ASN A 8 -9.130 4.803 1.382 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -7.808 4.002 -1.258 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -9.256 4.989 -1.263 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -6.883 7.725 -1.055 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -7.927 6.806 -2.145 1.00 0.00 H new ATOM 144 N GLY A 9 -10.377 2.343 1.381 1.00 0.00 N ATOM 145 CA GLY A 9 -11.543 1.425 1.236 1.00 0.00 C ATOM 146 C GLY A 9 -12.835 2.198 1.503 1.00 0.00 C ATOM 147 O GLY A 9 -12.842 3.182 2.218 1.00 0.00 O ATOM 0 H GLY A 9 -9.886 2.278 2.273 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -11.562 0.999 0.233 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -11.453 0.593 1.934 1.00 0.00 H new ATOM 151 N LYS A 10 -13.928 1.761 0.929 1.00 0.00 N ATOM 152 CA LYS A 10 -15.230 2.465 1.136 1.00 0.00 C ATOM 153 C LYS A 10 -15.552 2.587 2.630 1.00 0.00 C ATOM 154 O LYS A 10 -16.195 3.526 3.060 1.00 0.00 O ATOM 155 CB LYS A 10 -16.273 1.595 0.437 1.00 0.00 C ATOM 156 CG LYS A 10 -16.097 1.710 -1.079 1.00 0.00 C ATOM 157 CD LYS A 10 -17.022 2.801 -1.620 1.00 0.00 C ATOM 158 CE LYS A 10 -16.364 3.480 -2.824 1.00 0.00 C ATOM 159 NZ LYS A 10 -16.699 4.924 -2.682 1.00 0.00 N ATOM 0 H LYS A 10 -13.974 0.942 0.323 1.00 0.00 H new ATOM 0 HA LYS A 10 -15.207 3.479 0.737 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -16.164 0.556 0.749 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -17.276 1.911 0.723 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -15.060 1.946 -1.318 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -16.325 0.756 -1.555 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -17.979 2.369 -1.911 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -17.228 3.536 -0.842 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -15.285 3.323 -2.825 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -16.746 3.077 -3.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -16.282 5.456 -3.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -17.732 5.043 -2.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -16.317 5.282 -1.783 1.00 0.00 H new ATOM 173 N THR A 11 -15.108 1.642 3.419 1.00 0.00 N ATOM 174 CA THR A 11 -15.382 1.691 4.887 1.00 0.00 C ATOM 175 C THR A 11 -14.070 1.639 5.676 1.00 0.00 C ATOM 176 O THR A 11 -13.913 2.313 6.677 1.00 0.00 O ATOM 177 CB THR A 11 -16.229 0.450 5.172 1.00 0.00 C ATOM 178 OG1 THR A 11 -17.212 0.307 4.156 1.00 0.00 O ATOM 179 CG2 THR A 11 -16.914 0.598 6.531 1.00 0.00 C ATOM 0 H THR A 11 -14.566 0.836 3.108 1.00 0.00 H new ATOM 0 HA THR A 11 -15.890 2.609 5.181 1.00 0.00 H new ATOM 0 HB THR A 11 -15.589 -0.432 5.186 1.00 0.00 H new ATOM 0 HG1 THR A 11 -17.755 -0.489 4.336 1.00 0.00 H new ATOM 0 HG21 THR A 11 -17.517 -0.287 6.733 1.00 0.00 H new ATOM 0 HG22 THR A 11 -16.159 0.707 7.309 1.00 0.00 H new ATOM 0 HG23 THR A 11 -17.555 1.479 6.521 1.00 0.00 H new ATOM 187 N LEU A 12 -13.131 0.842 5.232 1.00 0.00 N ATOM 188 CA LEU A 12 -11.826 0.738 5.953 1.00 0.00 C ATOM 189 C LEU A 12 -10.842 1.786 5.426 1.00 0.00 C ATOM 190 O LEU A 12 -10.897 2.177 4.275 1.00 0.00 O ATOM 191 CB LEU A 12 -11.320 -0.673 5.650 1.00 0.00 C ATOM 192 CG LEU A 12 -12.287 -1.700 6.241 1.00 0.00 C ATOM 193 CD1 LEU A 12 -12.160 -3.019 5.478 1.00 0.00 C ATOM 194 CD2 LEU A 12 -11.947 -1.930 7.715 1.00 0.00 C ATOM 0 H LEU A 12 -13.212 0.258 4.400 1.00 0.00 H new ATOM 0 HA LEU A 12 -11.931 0.914 7.024 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -11.234 -0.816 4.573 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.324 -0.812 6.070 1.00 0.00 H new ATOM 0 HG LEU A 12 -13.308 -1.328 6.156 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -12.849 -3.751 5.899 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -12.401 -2.856 4.427 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -11.139 -3.391 5.563 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -12.636 -2.662 8.137 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.926 -2.302 7.799 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -12.037 -0.990 8.260 1.00 0.00 H new ATOM 206 N LYS A 13 -9.944 2.242 6.262 1.00 0.00 N ATOM 207 CA LYS A 13 -8.950 3.266 5.821 1.00 0.00 C ATOM 208 C LYS A 13 -7.750 3.285 6.773 1.00 0.00 C ATOM 209 O LYS A 13 -7.691 2.530 7.725 1.00 0.00 O ATOM 210 CB LYS A 13 -9.701 4.596 5.878 1.00 0.00 C ATOM 211 CG LYS A 13 -10.379 4.859 4.532 1.00 0.00 C ATOM 212 CD LYS A 13 -10.431 6.366 4.272 1.00 0.00 C ATOM 213 CE LYS A 13 -11.585 6.982 5.066 1.00 0.00 C ATOM 214 NZ LYS A 13 -11.498 8.444 4.800 1.00 0.00 N ATOM 0 H LYS A 13 -9.857 1.948 7.235 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.560 3.060 4.824 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -10.446 4.571 6.673 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -9.010 5.406 6.113 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -9.831 4.360 3.733 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -11.387 4.445 4.534 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -9.488 6.829 4.563 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -10.565 6.558 3.207 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -12.545 6.579 4.744 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -11.490 6.768 6.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -12.258 8.936 5.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -10.576 8.801 5.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -11.599 8.618 3.780 1.00 0.00 H new ATOM 228 N GLY A 14 -6.795 4.146 6.520 1.00 0.00 N ATOM 229 CA GLY A 14 -5.595 4.224 7.402 1.00 0.00 C ATOM 230 C GLY A 14 -4.328 4.259 6.545 1.00 0.00 C ATOM 231 O GLY A 14 -4.391 4.352 5.334 1.00 0.00 O ATOM 0 H GLY A 14 -6.797 4.800 5.737 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.648 5.116 8.027 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.568 3.366 8.073 1.00 0.00 H new ATOM 235 N GLU A 15 -3.178 4.186 7.167 1.00 0.00 N ATOM 236 CA GLU A 15 -1.897 4.215 6.396 1.00 0.00 C ATOM 237 C GLU A 15 -0.985 3.067 6.840 1.00 0.00 C ATOM 238 O GLU A 15 -1.207 2.451 7.866 1.00 0.00 O ATOM 239 CB GLU A 15 -1.261 5.573 6.720 1.00 0.00 C ATOM 240 CG GLU A 15 -1.038 5.702 8.231 1.00 0.00 C ATOM 241 CD GLU A 15 -0.406 7.060 8.540 1.00 0.00 C ATOM 242 OE1 GLU A 15 -1.116 8.051 8.472 1.00 0.00 O ATOM 243 OE2 GLU A 15 0.776 7.087 8.841 1.00 0.00 O ATOM 0 H GLU A 15 -3.071 4.107 8.178 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.058 4.092 5.325 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.311 5.673 6.194 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.906 6.379 6.369 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.986 5.602 8.759 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.391 4.899 8.584 1.00 0.00 H new ATOM 250 N THR A 16 0.039 2.776 6.075 1.00 0.00 N ATOM 251 CA THR A 16 0.966 1.664 6.454 1.00 0.00 C ATOM 252 C THR A 16 2.308 1.803 5.727 1.00 0.00 C ATOM 253 O THR A 16 2.374 2.290 4.616 1.00 0.00 O ATOM 254 CB THR A 16 0.251 0.377 6.023 1.00 0.00 C ATOM 255 OG1 THR A 16 1.074 -0.740 6.324 1.00 0.00 O ATOM 256 CG2 THR A 16 -0.036 0.409 4.517 1.00 0.00 C ATOM 0 H THR A 16 0.273 3.259 5.207 1.00 0.00 H new ATOM 0 HA THR A 16 1.188 1.669 7.521 1.00 0.00 H new ATOM 0 HB THR A 16 -0.694 0.297 6.561 1.00 0.00 H new ATOM 0 HG1 THR A 16 0.619 -1.564 6.051 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.544 -0.510 4.224 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.671 1.264 4.286 1.00 0.00 H new ATOM 0 HG23 THR A 16 0.903 0.496 3.970 1.00 0.00 H new ATOM 264 N THR A 17 3.373 1.367 6.349 1.00 0.00 N ATOM 265 CA THR A 17 4.717 1.457 5.704 1.00 0.00 C ATOM 266 C THR A 17 5.482 0.150 5.906 1.00 0.00 C ATOM 267 O THR A 17 5.203 -0.605 6.819 1.00 0.00 O ATOM 268 CB THR A 17 5.440 2.597 6.420 1.00 0.00 C ATOM 269 OG1 THR A 17 5.383 2.382 7.824 1.00 0.00 O ATOM 270 CG2 THR A 17 4.775 3.930 6.079 1.00 0.00 C ATOM 0 H THR A 17 3.369 0.951 7.280 1.00 0.00 H new ATOM 0 HA THR A 17 4.640 1.633 4.631 1.00 0.00 H new ATOM 0 HB THR A 17 6.480 2.624 6.095 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.848 3.111 8.286 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.295 4.738 6.593 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.822 4.095 5.003 1.00 0.00 H new ATOM 0 HG23 THR A 17 3.733 3.909 6.398 1.00 0.00 H new ATOM 278 N THR A 18 6.446 -0.122 5.063 1.00 0.00 N ATOM 279 CA THR A 18 7.232 -1.373 5.203 1.00 0.00 C ATOM 280 C THR A 18 8.709 -1.087 4.866 1.00 0.00 C ATOM 281 O THR A 18 9.041 -0.061 4.302 1.00 0.00 O ATOM 282 CB THR A 18 6.549 -2.359 4.215 1.00 0.00 C ATOM 283 OG1 THR A 18 5.820 -3.322 4.960 1.00 0.00 O ATOM 284 CG2 THR A 18 7.569 -3.086 3.335 1.00 0.00 C ATOM 0 H THR A 18 6.719 0.475 4.282 1.00 0.00 H new ATOM 0 HA THR A 18 7.244 -1.791 6.210 1.00 0.00 H new ATOM 0 HB THR A 18 5.891 -1.783 3.564 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.402 -2.889 5.733 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.048 -3.765 2.660 1.00 0.00 H new ATOM 0 HG22 THR A 18 8.133 -2.357 2.753 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.253 -3.655 3.965 1.00 0.00 H new ATOM 292 N GLU A 19 9.583 -2.001 5.199 1.00 0.00 N ATOM 293 CA GLU A 19 11.031 -1.814 4.894 1.00 0.00 C ATOM 294 C GLU A 19 11.521 -2.975 4.027 1.00 0.00 C ATOM 295 O GLU A 19 11.505 -4.118 4.445 1.00 0.00 O ATOM 296 CB GLU A 19 11.728 -1.824 6.253 1.00 0.00 C ATOM 297 CG GLU A 19 13.189 -1.401 6.080 1.00 0.00 C ATOM 298 CD GLU A 19 14.067 -2.175 7.066 1.00 0.00 C ATOM 299 OE1 GLU A 19 14.259 -3.361 6.854 1.00 0.00 O ATOM 300 OE2 GLU A 19 14.532 -1.568 8.017 1.00 0.00 O ATOM 0 H GLU A 19 9.353 -2.875 5.672 1.00 0.00 H new ATOM 0 HA GLU A 19 11.232 -0.892 4.348 1.00 0.00 H new ATOM 0 HB2 GLU A 19 11.221 -1.146 6.939 1.00 0.00 H new ATOM 0 HB3 GLU A 19 11.676 -2.820 6.693 1.00 0.00 H new ATOM 0 HG2 GLU A 19 13.515 -1.593 5.058 1.00 0.00 H new ATOM 0 HG3 GLU A 19 13.291 -0.329 6.251 1.00 0.00 H new ATOM 307 N ALA A 20 11.943 -2.694 2.820 1.00 0.00 N ATOM 308 CA ALA A 20 12.420 -3.788 1.920 1.00 0.00 C ATOM 309 C ALA A 20 13.431 -3.252 0.903 1.00 0.00 C ATOM 310 O ALA A 20 13.822 -2.101 0.946 1.00 0.00 O ATOM 311 CB ALA A 20 11.160 -4.280 1.210 1.00 0.00 C ATOM 0 H ALA A 20 11.978 -1.757 2.419 1.00 0.00 H new ATOM 0 HA ALA A 20 12.925 -4.582 2.470 1.00 0.00 H new ATOM 0 HB1 ALA A 20 11.420 -5.088 0.526 1.00 0.00 H new ATOM 0 HB2 ALA A 20 10.445 -4.645 1.948 1.00 0.00 H new ATOM 0 HB3 ALA A 20 10.714 -3.459 0.649 1.00 0.00 H new ATOM 317 N VAL A 21 13.853 -4.088 -0.012 1.00 0.00 N ATOM 318 CA VAL A 21 14.840 -3.646 -1.045 1.00 0.00 C ATOM 319 C VAL A 21 14.217 -2.594 -1.958 1.00 0.00 C ATOM 320 O VAL A 21 14.859 -1.649 -2.374 1.00 0.00 O ATOM 321 CB VAL A 21 15.179 -4.912 -1.854 1.00 0.00 C ATOM 322 CG1 VAL A 21 13.938 -5.450 -2.584 1.00 0.00 C ATOM 323 CG2 VAL A 21 16.264 -4.581 -2.882 1.00 0.00 C ATOM 0 H VAL A 21 13.556 -5.061 -0.089 1.00 0.00 H new ATOM 0 HA VAL A 21 15.725 -3.199 -0.593 1.00 0.00 H new ATOM 0 HB VAL A 21 15.533 -5.677 -1.163 1.00 0.00 H new ATOM 0 HG11 VAL A 21 14.206 -6.344 -3.147 1.00 0.00 H new ATOM 0 HG12 VAL A 21 13.166 -5.698 -1.855 1.00 0.00 H new ATOM 0 HG13 VAL A 21 13.560 -4.690 -3.268 1.00 0.00 H new ATOM 0 HG21 VAL A 21 16.506 -5.475 -3.456 1.00 0.00 H new ATOM 0 HG22 VAL A 21 15.902 -3.804 -3.556 1.00 0.00 H new ATOM 0 HG23 VAL A 21 17.157 -4.228 -2.367 1.00 0.00 H new ATOM 333 N ASP A 22 12.973 -2.784 -2.291 1.00 0.00 N ATOM 334 CA ASP A 22 12.271 -1.849 -3.205 1.00 0.00 C ATOM 335 C ASP A 22 10.769 -1.866 -2.915 1.00 0.00 C ATOM 336 O ASP A 22 10.250 -2.816 -2.360 1.00 0.00 O ATOM 337 CB ASP A 22 12.560 -2.412 -4.599 1.00 0.00 C ATOM 338 CG ASP A 22 14.059 -2.338 -4.900 1.00 0.00 C ATOM 339 OD1 ASP A 22 14.553 -1.237 -5.077 1.00 0.00 O ATOM 340 OD2 ASP A 22 14.686 -3.383 -4.949 1.00 0.00 O ATOM 0 H ASP A 22 12.404 -3.563 -1.961 1.00 0.00 H new ATOM 0 HA ASP A 22 12.599 -0.815 -3.097 1.00 0.00 H new ATOM 0 HB2 ASP A 22 12.221 -3.446 -4.659 1.00 0.00 H new ATOM 0 HB3 ASP A 22 12.003 -1.850 -5.349 1.00 0.00 H new ATOM 345 N ALA A 23 10.069 -0.825 -3.287 1.00 0.00 N ATOM 346 CA ALA A 23 8.597 -0.783 -3.033 1.00 0.00 C ATOM 347 C ALA A 23 7.902 -1.922 -3.781 1.00 0.00 C ATOM 348 O ALA A 23 6.861 -2.398 -3.369 1.00 0.00 O ATOM 349 CB ALA A 23 8.130 0.575 -3.561 1.00 0.00 C ATOM 0 H ALA A 23 10.452 -0.004 -3.755 1.00 0.00 H new ATOM 0 HA ALA A 23 8.360 -0.904 -1.976 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.056 0.675 -3.407 1.00 0.00 H new ATOM 0 HB2 ALA A 23 8.649 1.371 -3.027 1.00 0.00 H new ATOM 0 HB3 ALA A 23 8.352 0.647 -4.626 1.00 0.00 H new ATOM 355 N ALA A 24 8.476 -2.370 -4.872 1.00 0.00 N ATOM 356 CA ALA A 24 7.854 -3.492 -5.642 1.00 0.00 C ATOM 357 C ALA A 24 7.751 -4.730 -4.748 1.00 0.00 C ATOM 358 O ALA A 24 6.725 -5.380 -4.686 1.00 0.00 O ATOM 359 CB ALA A 24 8.800 -3.755 -6.816 1.00 0.00 C ATOM 0 H ALA A 24 9.346 -2.008 -5.261 1.00 0.00 H new ATOM 0 HA ALA A 24 6.848 -3.252 -5.987 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.406 -4.568 -7.426 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.885 -2.854 -7.424 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.784 -4.030 -6.436 1.00 0.00 H new ATOM 365 N THR A 25 8.809 -5.045 -4.044 1.00 0.00 N ATOM 366 CA THR A 25 8.785 -6.230 -3.134 1.00 0.00 C ATOM 367 C THR A 25 7.847 -5.951 -1.953 1.00 0.00 C ATOM 368 O THR A 25 6.987 -6.754 -1.628 1.00 0.00 O ATOM 369 CB THR A 25 10.241 -6.403 -2.661 1.00 0.00 C ATOM 370 OG1 THR A 25 11.033 -6.858 -3.748 1.00 0.00 O ATOM 371 CG2 THR A 25 10.317 -7.424 -1.516 1.00 0.00 C ATOM 0 H THR A 25 9.690 -4.531 -4.060 1.00 0.00 H new ATOM 0 HA THR A 25 8.419 -7.133 -3.624 1.00 0.00 H new ATOM 0 HB THR A 25 10.612 -5.443 -2.301 1.00 0.00 H new ATOM 0 HG1 THR A 25 11.919 -7.120 -3.420 1.00 0.00 H new ATOM 0 HG21 THR A 25 11.353 -7.534 -1.194 1.00 0.00 H new ATOM 0 HG22 THR A 25 9.712 -7.077 -0.678 1.00 0.00 H new ATOM 0 HG23 THR A 25 9.941 -8.387 -1.861 1.00 0.00 H new ATOM 379 N ALA A 26 8.009 -4.821 -1.306 1.00 0.00 N ATOM 380 CA ALA A 26 7.131 -4.499 -0.143 1.00 0.00 C ATOM 381 C ALA A 26 5.671 -4.459 -0.587 1.00 0.00 C ATOM 382 O ALA A 26 4.831 -5.138 -0.037 1.00 0.00 O ATOM 383 CB ALA A 26 7.574 -3.116 0.346 1.00 0.00 C ATOM 0 H ALA A 26 8.708 -4.113 -1.533 1.00 0.00 H new ATOM 0 HA ALA A 26 7.214 -5.247 0.645 1.00 0.00 H new ATOM 0 HB1 ALA A 26 6.966 -2.821 1.201 1.00 0.00 H new ATOM 0 HB2 ALA A 26 8.623 -3.153 0.641 1.00 0.00 H new ATOM 0 HB3 ALA A 26 7.449 -2.389 -0.456 1.00 0.00 H new ATOM 389 N GLU A 27 5.370 -3.659 -1.583 1.00 0.00 N ATOM 390 CA GLU A 27 3.959 -3.535 -2.086 1.00 0.00 C ATOM 391 C GLU A 27 3.263 -4.901 -2.195 1.00 0.00 C ATOM 392 O GLU A 27 2.084 -5.021 -1.918 1.00 0.00 O ATOM 393 CB GLU A 27 4.088 -2.886 -3.466 1.00 0.00 C ATOM 394 CG GLU A 27 2.696 -2.606 -4.038 1.00 0.00 C ATOM 395 CD GLU A 27 2.785 -2.478 -5.559 1.00 0.00 C ATOM 396 OE1 GLU A 27 3.777 -1.948 -6.033 1.00 0.00 O ATOM 397 OE2 GLU A 27 1.860 -2.912 -6.226 1.00 0.00 O ATOM 0 H GLU A 27 6.049 -3.079 -2.076 1.00 0.00 H new ATOM 0 HA GLU A 27 3.347 -2.948 -1.401 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.654 -1.957 -3.390 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.642 -3.543 -4.137 1.00 0.00 H new ATOM 0 HG2 GLU A 27 2.012 -3.411 -3.770 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.292 -1.689 -3.608 1.00 0.00 H new ATOM 404 N LYS A 28 3.987 -5.933 -2.562 1.00 0.00 N ATOM 405 CA LYS A 28 3.358 -7.289 -2.645 1.00 0.00 C ATOM 406 C LYS A 28 2.907 -7.693 -1.242 1.00 0.00 C ATOM 407 O LYS A 28 1.806 -8.169 -1.041 1.00 0.00 O ATOM 408 CB LYS A 28 4.458 -8.229 -3.148 1.00 0.00 C ATOM 409 CG LYS A 28 4.953 -7.765 -4.519 1.00 0.00 C ATOM 410 CD LYS A 28 6.399 -8.226 -4.718 1.00 0.00 C ATOM 411 CE LYS A 28 6.410 -9.592 -5.407 1.00 0.00 C ATOM 412 NZ LYS A 28 7.811 -10.079 -5.274 1.00 0.00 N ATOM 0 H LYS A 28 4.977 -5.895 -2.805 1.00 0.00 H new ATOM 0 HA LYS A 28 2.493 -7.317 -3.307 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.286 -8.246 -2.439 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.075 -9.247 -3.215 1.00 0.00 H new ATOM 0 HG2 LYS A 28 4.318 -8.173 -5.305 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.892 -6.679 -4.592 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.944 -7.499 -5.320 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.908 -8.288 -3.756 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.707 -10.278 -4.935 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.119 -9.508 -6.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.898 -11.013 -5.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.457 -9.409 -5.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.058 -10.155 -4.267 1.00 0.00 H new ATOM 426 N VAL A 29 3.751 -7.464 -0.269 1.00 0.00 N ATOM 427 CA VAL A 29 3.382 -7.784 1.142 1.00 0.00 C ATOM 428 C VAL A 29 2.256 -6.836 1.570 1.00 0.00 C ATOM 429 O VAL A 29 1.296 -7.242 2.198 1.00 0.00 O ATOM 430 CB VAL A 29 4.676 -7.545 1.951 1.00 0.00 C ATOM 431 CG1 VAL A 29 4.374 -7.366 3.448 1.00 0.00 C ATOM 432 CG2 VAL A 29 5.609 -8.745 1.769 1.00 0.00 C ATOM 0 H VAL A 29 4.683 -7.068 -0.392 1.00 0.00 H new ATOM 0 HA VAL A 29 3.021 -8.802 1.288 1.00 0.00 H new ATOM 0 HB VAL A 29 5.147 -6.633 1.584 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.305 -7.200 3.990 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.716 -6.508 3.586 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.887 -8.263 3.831 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.525 -8.583 2.337 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.114 -9.648 2.127 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.853 -8.859 0.713 1.00 0.00 H new ATOM 442 N LEU A 30 2.370 -5.572 1.231 1.00 0.00 N ATOM 443 CA LEU A 30 1.309 -4.589 1.612 1.00 0.00 C ATOM 444 C LEU A 30 -0.024 -5.051 1.028 1.00 0.00 C ATOM 445 O LEU A 30 -1.069 -4.862 1.615 1.00 0.00 O ATOM 446 CB LEU A 30 1.764 -3.250 1.008 1.00 0.00 C ATOM 447 CG LEU A 30 2.864 -2.562 1.866 1.00 0.00 C ATOM 448 CD1 LEU A 30 2.236 -1.783 3.017 1.00 0.00 C ATOM 449 CD2 LEU A 30 3.864 -3.562 2.458 1.00 0.00 C ATOM 0 H LEU A 30 3.153 -5.181 0.707 1.00 0.00 H new ATOM 0 HA LEU A 30 1.171 -4.496 2.689 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.144 -3.418 0.000 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.906 -2.584 0.918 1.00 0.00 H new ATOM 0 HG LEU A 30 3.398 -1.893 1.191 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.021 -1.309 3.606 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.569 -1.018 2.618 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.668 -2.464 3.651 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.609 -3.027 3.047 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.336 -4.269 3.097 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.359 -4.102 1.651 1.00 0.00 H new ATOM 461 N LYS A 31 0.021 -5.711 -0.105 1.00 0.00 N ATOM 462 CA LYS A 31 -1.232 -6.253 -0.711 1.00 0.00 C ATOM 463 C LYS A 31 -1.788 -7.297 0.246 1.00 0.00 C ATOM 464 O LYS A 31 -2.970 -7.354 0.522 1.00 0.00 O ATOM 465 CB LYS A 31 -0.793 -6.935 -2.007 1.00 0.00 C ATOM 466 CG LYS A 31 -1.966 -6.978 -2.996 1.00 0.00 C ATOM 467 CD LYS A 31 -2.964 -8.071 -2.585 1.00 0.00 C ATOM 468 CE LYS A 31 -2.255 -9.431 -2.514 1.00 0.00 C ATOM 469 NZ LYS A 31 -3.075 -10.348 -3.354 1.00 0.00 N ATOM 0 H LYS A 31 0.873 -5.897 -0.635 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.987 -5.489 -0.897 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.046 -6.395 -2.447 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.446 -7.947 -1.797 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.466 -6.010 -3.022 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.596 -7.173 -4.003 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.402 -7.829 -1.617 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.783 -8.116 -3.303 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.234 -9.362 -2.889 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.193 -9.789 -1.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -2.648 -11.296 -3.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.040 -10.401 -2.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.110 -9.988 -4.329 1.00 0.00 H new ATOM 483 N GLN A 32 -0.910 -8.111 0.776 1.00 0.00 N ATOM 484 CA GLN A 32 -1.334 -9.159 1.753 1.00 0.00 C ATOM 485 C GLN A 32 -2.101 -8.496 2.900 1.00 0.00 C ATOM 486 O GLN A 32 -3.129 -8.976 3.338 1.00 0.00 O ATOM 487 CB GLN A 32 -0.037 -9.774 2.263 1.00 0.00 C ATOM 488 CG GLN A 32 -0.297 -11.207 2.731 1.00 0.00 C ATOM 489 CD GLN A 32 -0.252 -12.153 1.529 1.00 0.00 C ATOM 490 OE1 GLN A 32 -0.963 -11.960 0.563 1.00 0.00 O ATOM 491 NE2 GLN A 32 0.559 -13.175 1.548 1.00 0.00 N ATOM 0 H GLN A 32 0.089 -8.094 0.572 1.00 0.00 H new ATOM 0 HA GLN A 32 -1.987 -9.911 1.310 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.714 -9.769 1.473 1.00 0.00 H new ATOM 0 HB3 GLN A 32 0.361 -9.179 3.085 1.00 0.00 H new ATOM 0 HG2 GLN A 32 0.451 -11.502 3.467 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -1.269 -11.270 3.221 1.00 0.00 H new ATOM 0 HE21 GLN A 32 1.156 -13.337 2.359 1.00 0.00 H new ATOM 0 HE22 GLN A 32 0.596 -13.812 0.752 1.00 0.00 H new ATOM 500 N TYR A 33 -1.618 -7.364 3.356 1.00 0.00 N ATOM 501 CA TYR A 33 -2.328 -6.623 4.442 1.00 0.00 C ATOM 502 C TYR A 33 -3.698 -6.192 3.906 1.00 0.00 C ATOM 503 O TYR A 33 -4.708 -6.304 4.574 1.00 0.00 O ATOM 504 CB TYR A 33 -1.443 -5.407 4.740 1.00 0.00 C ATOM 505 CG TYR A 33 -2.113 -4.537 5.765 1.00 0.00 C ATOM 506 CD1 TYR A 33 -2.048 -4.887 7.113 1.00 0.00 C ATOM 507 CD2 TYR A 33 -2.806 -3.391 5.366 1.00 0.00 C ATOM 508 CE1 TYR A 33 -2.676 -4.093 8.071 1.00 0.00 C ATOM 509 CE2 TYR A 33 -3.435 -2.591 6.324 1.00 0.00 C ATOM 510 CZ TYR A 33 -3.371 -2.941 7.679 1.00 0.00 C ATOM 511 OH TYR A 33 -3.993 -2.154 8.626 1.00 0.00 O ATOM 0 H TYR A 33 -0.762 -6.923 3.021 1.00 0.00 H new ATOM 0 HA TYR A 33 -2.490 -7.214 5.343 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -0.469 -5.734 5.106 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -1.266 -4.840 3.826 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -1.511 -5.774 7.415 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -2.855 -3.124 4.321 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -2.627 -4.365 9.115 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -3.970 -1.704 6.020 1.00 0.00 H new ATOM 0 HH TYR A 33 -4.428 -1.394 8.185 1.00 0.00 H new ATOM 521 N ILE A 34 -3.724 -5.731 2.683 1.00 0.00 N ATOM 522 CA ILE A 34 -5.014 -5.319 2.052 1.00 0.00 C ATOM 523 C ILE A 34 -5.888 -6.563 1.860 1.00 0.00 C ATOM 524 O ILE A 34 -7.103 -6.494 1.883 1.00 0.00 O ATOM 525 CB ILE A 34 -4.618 -4.721 0.695 1.00 0.00 C ATOM 526 CG1 ILE A 34 -3.685 -3.507 0.919 1.00 0.00 C ATOM 527 CG2 ILE A 34 -5.876 -4.319 -0.095 1.00 0.00 C ATOM 528 CD1 ILE A 34 -4.477 -2.261 1.332 1.00 0.00 C ATOM 0 H ILE A 34 -2.902 -5.621 2.090 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.578 -4.605 2.652 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.081 -5.467 0.109 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.953 -3.746 1.690 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.129 -3.300 0.005 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.583 -3.896 -1.056 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.498 -5.199 -0.261 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.440 -3.577 0.471 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.791 -1.427 1.481 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.191 -2.008 0.549 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.012 -2.461 2.260 1.00 0.00 H new ATOM 540 N ASN A 35 -5.265 -7.703 1.672 1.00 0.00 N ATOM 541 CA ASN A 35 -6.033 -8.971 1.478 1.00 0.00 C ATOM 542 C ASN A 35 -6.945 -9.232 2.682 1.00 0.00 C ATOM 543 O ASN A 35 -7.974 -9.870 2.564 1.00 0.00 O ATOM 544 CB ASN A 35 -4.970 -10.066 1.364 1.00 0.00 C ATOM 545 CG ASN A 35 -5.580 -11.305 0.706 1.00 0.00 C ATOM 546 OD1 ASN A 35 -5.543 -11.447 -0.500 1.00 0.00 O ATOM 547 ND2 ASN A 35 -6.143 -12.215 1.452 1.00 0.00 N ATOM 0 H ASN A 35 -4.251 -7.808 1.645 1.00 0.00 H new ATOM 0 HA ASN A 35 -6.675 -8.932 0.598 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -4.125 -9.708 0.775 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -4.586 -10.318 2.352 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -6.552 -13.045 1.023 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -6.174 -12.096 2.465 1.00 0.00 H new ATOM 554 N ASP A 36 -6.572 -8.739 3.837 1.00 0.00 N ATOM 555 CA ASP A 36 -7.411 -8.950 5.055 1.00 0.00 C ATOM 556 C ASP A 36 -8.582 -7.964 5.066 1.00 0.00 C ATOM 557 O ASP A 36 -9.730 -8.354 5.168 1.00 0.00 O ATOM 558 CB ASP A 36 -6.475 -8.685 6.235 1.00 0.00 C ATOM 559 CG ASP A 36 -7.004 -9.401 7.478 1.00 0.00 C ATOM 560 OD1 ASP A 36 -6.766 -10.592 7.599 1.00 0.00 O ATOM 561 OD2 ASP A 36 -7.639 -8.747 8.289 1.00 0.00 O ATOM 0 H ASP A 36 -5.720 -8.198 3.988 1.00 0.00 H new ATOM 0 HA ASP A 36 -7.838 -9.952 5.093 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.470 -9.035 6.001 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.404 -7.614 6.422 1.00 0.00 H new ATOM 566 N ASN A 37 -8.297 -6.690 4.961 1.00 0.00 N ATOM 567 CA ASN A 37 -9.392 -5.670 4.963 1.00 0.00 C ATOM 568 C ASN A 37 -10.326 -5.900 3.772 1.00 0.00 C ATOM 569 O ASN A 37 -11.508 -5.617 3.835 1.00 0.00 O ATOM 570 CB ASN A 37 -8.688 -4.316 4.838 1.00 0.00 C ATOM 571 CG ASN A 37 -7.838 -4.067 6.085 1.00 0.00 C ATOM 572 OD1 ASN A 37 -7.254 -4.982 6.630 1.00 0.00 O ATOM 573 ND2 ASN A 37 -7.744 -2.856 6.564 1.00 0.00 N ATOM 0 H ASN A 37 -7.354 -6.312 4.874 1.00 0.00 H new ATOM 0 HA ASN A 37 -10.001 -5.725 5.865 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -8.060 -4.302 3.948 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.424 -3.521 4.722 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -7.180 -2.679 7.395 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -8.234 -2.087 6.107 1.00 0.00 H new ATOM 580 N GLY A 38 -9.802 -6.417 2.689 1.00 0.00 N ATOM 581 CA GLY A 38 -10.650 -6.675 1.489 1.00 0.00 C ATOM 582 C GLY A 38 -10.790 -5.390 0.671 1.00 0.00 C ATOM 583 O GLY A 38 -11.807 -5.154 0.045 1.00 0.00 O ATOM 0 H GLY A 38 -8.820 -6.672 2.586 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.204 -7.460 0.878 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -11.633 -7.031 1.796 1.00 0.00 H new ATOM 587 N ILE A 39 -9.777 -4.561 0.669 1.00 0.00 N ATOM 588 CA ILE A 39 -9.848 -3.288 -0.111 1.00 0.00 C ATOM 589 C ILE A 39 -8.814 -3.306 -1.242 1.00 0.00 C ATOM 590 O ILE A 39 -7.788 -2.656 -1.166 1.00 0.00 O ATOM 591 CB ILE A 39 -9.532 -2.177 0.899 1.00 0.00 C ATOM 592 CG1 ILE A 39 -10.555 -2.203 2.048 1.00 0.00 C ATOM 593 CG2 ILE A 39 -9.584 -0.813 0.201 1.00 0.00 C ATOM 594 CD1 ILE A 39 -11.978 -2.015 1.504 1.00 0.00 C ATOM 0 H ILE A 39 -8.903 -4.711 1.174 1.00 0.00 H new ATOM 0 HA ILE A 39 -10.823 -3.142 -0.576 1.00 0.00 H new ATOM 0 HB ILE A 39 -8.533 -2.341 1.304 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -10.486 -3.150 2.583 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -10.326 -1.414 2.765 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -9.359 -0.027 0.922 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -8.850 -0.788 -0.604 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.580 -0.653 -0.211 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -12.689 -2.036 2.330 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -12.047 -1.056 0.990 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -12.210 -2.819 0.805 1.00 0.00 H new ATOM 606 N ASP A 40 -9.083 -4.043 -2.290 1.00 0.00 N ATOM 607 CA ASP A 40 -8.126 -4.108 -3.435 1.00 0.00 C ATOM 608 C ASP A 40 -8.795 -3.576 -4.705 1.00 0.00 C ATOM 609 O ASP A 40 -9.459 -4.306 -5.417 1.00 0.00 O ATOM 610 CB ASP A 40 -7.789 -5.591 -3.587 1.00 0.00 C ATOM 611 CG ASP A 40 -6.677 -5.966 -2.605 1.00 0.00 C ATOM 612 OD1 ASP A 40 -5.594 -5.420 -2.731 1.00 0.00 O ATOM 613 OD2 ASP A 40 -6.929 -6.794 -1.745 1.00 0.00 O ATOM 0 H ASP A 40 -9.927 -4.604 -2.402 1.00 0.00 H new ATOM 0 HA ASP A 40 -7.234 -3.505 -3.266 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -8.675 -6.197 -3.398 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -7.472 -5.800 -4.609 1.00 0.00 H new ATOM 618 N GLY A 41 -8.627 -2.309 -4.990 1.00 0.00 N ATOM 619 CA GLY A 41 -9.256 -1.723 -6.210 1.00 0.00 C ATOM 620 C GLY A 41 -8.178 -1.122 -7.114 1.00 0.00 C ATOM 621 O GLY A 41 -7.700 -1.763 -8.031 1.00 0.00 O ATOM 0 H GLY A 41 -8.081 -1.656 -4.429 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.809 -2.492 -6.750 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -9.975 -0.954 -5.926 1.00 0.00 H new ATOM 625 N GLU A 42 -7.798 0.107 -6.866 1.00 0.00 N ATOM 626 CA GLU A 42 -6.756 0.759 -7.716 1.00 0.00 C ATOM 627 C GLU A 42 -5.685 1.420 -6.844 1.00 0.00 C ATOM 628 O GLU A 42 -5.975 2.290 -6.044 1.00 0.00 O ATOM 629 CB GLU A 42 -7.511 1.817 -8.531 1.00 0.00 C ATOM 630 CG GLU A 42 -7.613 1.371 -9.992 1.00 0.00 C ATOM 631 CD GLU A 42 -8.948 1.835 -10.577 1.00 0.00 C ATOM 632 OE1 GLU A 42 -9.034 2.990 -10.963 1.00 0.00 O ATOM 633 OE2 GLU A 42 -9.862 1.029 -10.630 1.00 0.00 O ATOM 0 H GLU A 42 -8.165 0.687 -6.111 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.242 0.040 -8.353 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -8.508 1.966 -8.116 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.994 2.774 -8.469 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.787 1.788 -10.569 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.533 0.286 -10.058 1.00 0.00 H new ATOM 640 N TRP A 43 -4.449 1.018 -7.004 1.00 0.00 N ATOM 641 CA TRP A 43 -3.350 1.625 -6.198 1.00 0.00 C ATOM 642 C TRP A 43 -2.652 2.710 -7.019 1.00 0.00 C ATOM 643 O TRP A 43 -2.823 2.794 -8.221 1.00 0.00 O ATOM 644 CB TRP A 43 -2.354 0.493 -5.924 1.00 0.00 C ATOM 645 CG TRP A 43 -2.904 -0.526 -4.971 1.00 0.00 C ATOM 646 CD1 TRP A 43 -4.207 -0.869 -4.809 1.00 0.00 C ATOM 647 CD2 TRP A 43 -2.153 -1.353 -4.044 1.00 0.00 C ATOM 648 NE1 TRP A 43 -4.289 -1.870 -3.862 1.00 0.00 N ATOM 649 CE2 TRP A 43 -3.052 -2.194 -3.353 1.00 0.00 C ATOM 650 CE3 TRP A 43 -0.787 -1.452 -3.744 1.00 0.00 C ATOM 651 CZ2 TRP A 43 -2.610 -3.103 -2.396 1.00 0.00 C ATOM 652 CZ3 TRP A 43 -0.338 -2.363 -2.777 1.00 0.00 C ATOM 653 CH2 TRP A 43 -1.247 -3.186 -2.105 1.00 0.00 C ATOM 0 H TRP A 43 -4.155 0.294 -7.660 1.00 0.00 H new ATOM 0 HA TRP A 43 -3.728 2.071 -5.278 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -2.093 0.006 -6.863 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -1.434 0.911 -5.515 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -5.043 -0.431 -5.335 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -5.160 -2.315 -3.574 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -0.077 -0.823 -4.260 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -3.316 -3.739 -1.883 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 0.716 -2.429 -2.550 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -0.895 -3.886 -1.361 1.00 0.00 H new ATOM 664 N THR A 44 -1.844 3.518 -6.385 1.00 0.00 N ATOM 665 CA THR A 44 -1.102 4.579 -7.128 1.00 0.00 C ATOM 666 C THR A 44 0.238 4.835 -6.442 1.00 0.00 C ATOM 667 O THR A 44 0.307 5.019 -5.241 1.00 0.00 O ATOM 668 CB THR A 44 -1.978 5.832 -7.085 1.00 0.00 C ATOM 669 OG1 THR A 44 -2.146 6.250 -5.740 1.00 0.00 O ATOM 670 CG2 THR A 44 -3.345 5.535 -7.707 1.00 0.00 C ATOM 0 H THR A 44 -1.665 3.489 -5.381 1.00 0.00 H new ATOM 0 HA THR A 44 -0.899 4.287 -8.158 1.00 0.00 H new ATOM 0 HB THR A 44 -1.493 6.626 -7.653 1.00 0.00 H new ATOM 0 HG1 THR A 44 -1.521 5.761 -5.165 1.00 0.00 H new ATOM 0 HG21 THR A 44 -3.963 6.432 -7.673 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.213 5.225 -8.744 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.833 4.737 -7.148 1.00 0.00 H new ATOM 678 N TYR A 45 1.301 4.841 -7.198 1.00 0.00 N ATOM 679 CA TYR A 45 2.650 5.076 -6.605 1.00 0.00 C ATOM 680 C TYR A 45 3.002 6.567 -6.691 1.00 0.00 C ATOM 681 O TYR A 45 2.514 7.277 -7.551 1.00 0.00 O ATOM 682 CB TYR A 45 3.601 4.235 -7.468 1.00 0.00 C ATOM 683 CG TYR A 45 5.035 4.453 -7.038 1.00 0.00 C ATOM 684 CD1 TYR A 45 5.399 4.310 -5.693 1.00 0.00 C ATOM 685 CD2 TYR A 45 5.999 4.798 -7.992 1.00 0.00 C ATOM 686 CE1 TYR A 45 6.730 4.513 -5.304 1.00 0.00 C ATOM 687 CE2 TYR A 45 7.327 5.001 -7.603 1.00 0.00 C ATOM 688 CZ TYR A 45 7.693 4.859 -6.260 1.00 0.00 C ATOM 689 OH TYR A 45 9.004 5.057 -5.881 1.00 0.00 O ATOM 0 H TYR A 45 1.294 4.692 -8.207 1.00 0.00 H new ATOM 0 HA TYR A 45 2.707 4.800 -5.552 1.00 0.00 H new ATOM 0 HB2 TYR A 45 3.345 3.179 -7.380 1.00 0.00 H new ATOM 0 HB3 TYR A 45 3.484 4.505 -8.518 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.655 4.044 -4.957 1.00 0.00 H new ATOM 0 HD2 TYR A 45 5.717 4.908 -9.029 1.00 0.00 H new ATOM 0 HE1 TYR A 45 7.013 4.403 -4.268 1.00 0.00 H new ATOM 0 HE2 TYR A 45 8.070 5.268 -8.340 1.00 0.00 H new ATOM 0 HH TYR A 45 9.289 5.956 -6.147 1.00 0.00 H new ATOM 699 N ASP A 46 3.851 7.043 -5.813 1.00 0.00 N ATOM 700 CA ASP A 46 4.243 8.487 -5.852 1.00 0.00 C ATOM 701 C ASP A 46 5.753 8.625 -5.657 1.00 0.00 C ATOM 702 O ASP A 46 6.312 8.123 -4.699 1.00 0.00 O ATOM 703 CB ASP A 46 3.498 9.162 -4.692 1.00 0.00 C ATOM 704 CG ASP A 46 1.993 8.890 -4.803 1.00 0.00 C ATOM 705 OD1 ASP A 46 1.590 7.774 -4.520 1.00 0.00 O ATOM 706 OD2 ASP A 46 1.272 9.804 -5.167 1.00 0.00 O ATOM 0 H ASP A 46 4.289 6.495 -5.072 1.00 0.00 H new ATOM 0 HA ASP A 46 3.990 8.944 -6.809 1.00 0.00 H new ATOM 0 HB2 ASP A 46 3.874 8.786 -3.740 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.683 10.236 -4.706 1.00 0.00 H new ATOM 711 N ASP A 47 6.413 9.310 -6.557 1.00 0.00 N ATOM 712 CA ASP A 47 7.892 9.495 -6.429 1.00 0.00 C ATOM 713 C ASP A 47 8.221 10.493 -5.305 1.00 0.00 C ATOM 714 O ASP A 47 9.373 10.688 -4.966 1.00 0.00 O ATOM 715 CB ASP A 47 8.344 10.046 -7.783 1.00 0.00 C ATOM 716 CG ASP A 47 9.866 10.192 -7.793 1.00 0.00 C ATOM 717 OD1 ASP A 47 10.352 11.162 -7.236 1.00 0.00 O ATOM 718 OD2 ASP A 47 10.520 9.332 -8.359 1.00 0.00 O ATOM 0 H ASP A 47 5.992 9.749 -7.375 1.00 0.00 H new ATOM 0 HA ASP A 47 8.397 8.563 -6.176 1.00 0.00 H new ATOM 0 HB2 ASP A 47 8.027 9.378 -8.584 1.00 0.00 H new ATOM 0 HB3 ASP A 47 7.874 11.012 -7.969 1.00 0.00 H new ATOM 723 N ALA A 48 7.224 11.125 -4.723 1.00 0.00 N ATOM 724 CA ALA A 48 7.484 12.107 -3.621 1.00 0.00 C ATOM 725 C ALA A 48 8.305 11.455 -2.502 1.00 0.00 C ATOM 726 O ALA A 48 9.468 11.759 -2.313 1.00 0.00 O ATOM 727 CB ALA A 48 6.095 12.492 -3.102 1.00 0.00 C ATOM 0 H ALA A 48 6.241 11.001 -4.966 1.00 0.00 H new ATOM 0 HA ALA A 48 8.051 12.971 -3.968 1.00 0.00 H new ATOM 0 HB1 ALA A 48 6.197 13.211 -2.289 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.515 12.937 -3.910 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.584 11.602 -2.736 1.00 0.00 H new ATOM 733 N THR A 49 7.702 10.560 -1.766 1.00 0.00 N ATOM 734 CA THR A 49 8.427 9.872 -0.656 1.00 0.00 C ATOM 735 C THR A 49 8.189 8.362 -0.744 1.00 0.00 C ATOM 736 O THR A 49 8.106 7.674 0.254 1.00 0.00 O ATOM 737 CB THR A 49 7.825 10.442 0.634 1.00 0.00 C ATOM 738 OG1 THR A 49 8.421 9.802 1.753 1.00 0.00 O ATOM 739 CG2 THR A 49 6.310 10.208 0.659 1.00 0.00 C ATOM 0 H THR A 49 6.731 10.273 -1.887 1.00 0.00 H new ATOM 0 HA THR A 49 9.504 10.032 -0.698 1.00 0.00 H new ATOM 0 HB THR A 49 8.018 11.514 0.675 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.454 8.835 1.597 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.894 10.617 1.580 1.00 0.00 H new ATOM 0 HG22 THR A 49 5.851 10.702 -0.197 1.00 0.00 H new ATOM 0 HG23 THR A 49 6.106 9.138 0.613 1.00 0.00 H new ATOM 747 N LYS A 50 8.078 7.850 -1.943 1.00 0.00 N ATOM 748 CA LYS A 50 7.842 6.382 -2.140 1.00 0.00 C ATOM 749 C LYS A 50 6.561 5.943 -1.423 1.00 0.00 C ATOM 750 O LYS A 50 6.543 4.946 -0.724 1.00 0.00 O ATOM 751 CB LYS A 50 9.061 5.655 -1.543 1.00 0.00 C ATOM 752 CG LYS A 50 10.363 6.250 -2.096 1.00 0.00 C ATOM 753 CD LYS A 50 10.468 5.954 -3.592 1.00 0.00 C ATOM 754 CE LYS A 50 10.695 4.454 -3.802 1.00 0.00 C ATOM 755 NZ LYS A 50 11.673 4.367 -4.923 1.00 0.00 N ATOM 0 H LYS A 50 8.141 8.391 -2.806 1.00 0.00 H new ATOM 0 HA LYS A 50 7.721 6.146 -3.197 1.00 0.00 H new ATOM 0 HB2 LYS A 50 9.047 5.741 -0.456 1.00 0.00 H new ATOM 0 HB3 LYS A 50 9.010 4.592 -1.779 1.00 0.00 H new ATOM 0 HG2 LYS A 50 10.384 7.326 -1.926 1.00 0.00 H new ATOM 0 HG3 LYS A 50 11.220 5.828 -1.571 1.00 0.00 H new ATOM 0 HD2 LYS A 50 9.557 6.269 -4.101 1.00 0.00 H new ATOM 0 HD3 LYS A 50 11.290 6.522 -4.029 1.00 0.00 H new ATOM 0 HE2 LYS A 50 11.086 3.983 -2.900 1.00 0.00 H new ATOM 0 HE3 LYS A 50 9.764 3.944 -4.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 11.983 3.381 -5.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 11.223 4.693 -5.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 12.497 4.966 -4.713 1.00 0.00 H new ATOM 769 N THR A 51 5.487 6.673 -1.599 1.00 0.00 N ATOM 770 CA THR A 51 4.202 6.293 -0.937 1.00 0.00 C ATOM 771 C THR A 51 3.312 5.541 -1.933 1.00 0.00 C ATOM 772 O THR A 51 3.584 5.511 -3.119 1.00 0.00 O ATOM 773 CB THR A 51 3.558 7.619 -0.516 1.00 0.00 C ATOM 774 OG1 THR A 51 4.400 8.268 0.424 1.00 0.00 O ATOM 775 CG2 THR A 51 2.191 7.362 0.127 1.00 0.00 C ATOM 0 H THR A 51 5.445 7.515 -2.173 1.00 0.00 H new ATOM 0 HA THR A 51 4.350 5.635 -0.081 1.00 0.00 H new ATOM 0 HB THR A 51 3.426 8.247 -1.397 1.00 0.00 H new ATOM 0 HG1 THR A 51 3.927 9.032 0.814 1.00 0.00 H new ATOM 0 HG21 THR A 51 1.743 8.311 0.422 1.00 0.00 H new ATOM 0 HG22 THR A 51 1.540 6.861 -0.590 1.00 0.00 H new ATOM 0 HG23 THR A 51 2.316 6.731 1.007 1.00 0.00 H new ATOM 783 N TRP A 52 2.258 4.928 -1.457 1.00 0.00 N ATOM 784 CA TRP A 52 1.353 4.168 -2.368 1.00 0.00 C ATOM 785 C TRP A 52 -0.114 4.478 -2.057 1.00 0.00 C ATOM 786 O TRP A 52 -0.423 5.367 -1.286 1.00 0.00 O ATOM 787 CB TRP A 52 1.638 2.703 -2.065 1.00 0.00 C ATOM 788 CG TRP A 52 2.910 2.277 -2.712 1.00 0.00 C ATOM 789 CD1 TRP A 52 4.127 2.283 -2.127 1.00 0.00 C ATOM 790 CD2 TRP A 52 3.101 1.764 -4.051 1.00 0.00 C ATOM 791 NE1 TRP A 52 5.061 1.820 -3.039 1.00 0.00 N ATOM 792 CE2 TRP A 52 4.472 1.485 -4.243 1.00 0.00 C ATOM 793 CE3 TRP A 52 2.216 1.524 -5.107 1.00 0.00 C ATOM 794 CZ2 TRP A 52 4.950 0.981 -5.454 1.00 0.00 C ATOM 795 CZ3 TRP A 52 2.688 1.016 -6.329 1.00 0.00 C ATOM 796 CH2 TRP A 52 4.054 0.746 -6.502 1.00 0.00 C ATOM 0 H TRP A 52 1.986 4.922 -0.474 1.00 0.00 H new ATOM 0 HA TRP A 52 1.523 4.426 -3.413 1.00 0.00 H new ATOM 0 HB2 TRP A 52 1.703 2.554 -0.987 1.00 0.00 H new ATOM 0 HB3 TRP A 52 0.815 2.084 -2.423 1.00 0.00 H new ATOM 0 HD1 TRP A 52 4.337 2.597 -1.115 1.00 0.00 H new ATOM 0 HE1 TRP A 52 6.059 1.737 -2.846 1.00 0.00 H new ATOM 0 HE3 TRP A 52 1.163 1.730 -4.982 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 6.002 0.774 -5.581 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 1.997 0.833 -7.138 1.00 0.00 H new ATOM 0 HH2 TRP A 52 4.413 0.357 -7.443 1.00 0.00 H new ATOM 807 N THR A 53 -1.018 3.736 -2.649 1.00 0.00 N ATOM 808 CA THR A 53 -2.473 3.959 -2.394 1.00 0.00 C ATOM 809 C THR A 53 -3.264 2.686 -2.719 1.00 0.00 C ATOM 810 O THR A 53 -2.722 1.721 -3.224 1.00 0.00 O ATOM 811 CB THR A 53 -2.879 5.100 -3.331 1.00 0.00 C ATOM 812 OG1 THR A 53 -1.901 6.129 -3.279 1.00 0.00 O ATOM 813 CG2 THR A 53 -4.233 5.665 -2.899 1.00 0.00 C ATOM 0 H THR A 53 -0.808 2.981 -3.302 1.00 0.00 H new ATOM 0 HA THR A 53 -2.675 4.205 -1.351 1.00 0.00 H new ATOM 0 HB THR A 53 -2.954 4.719 -4.349 1.00 0.00 H new ATOM 0 HG1 THR A 53 -2.050 6.760 -4.014 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.519 6.477 -3.568 1.00 0.00 H new ATOM 0 HG22 THR A 53 -4.986 4.878 -2.941 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.161 6.044 -1.879 1.00 0.00 H new ATOM 821 N VAL A 54 -4.539 2.675 -2.422 1.00 0.00 N ATOM 822 CA VAL A 54 -5.378 1.464 -2.699 1.00 0.00 C ATOM 823 C VAL A 54 -6.862 1.804 -2.496 1.00 0.00 C ATOM 824 O VAL A 54 -7.436 1.530 -1.459 1.00 0.00 O ATOM 825 CB VAL A 54 -4.897 0.395 -1.690 1.00 0.00 C ATOM 826 CG1 VAL A 54 -4.899 0.972 -0.277 1.00 0.00 C ATOM 827 CG2 VAL A 54 -5.814 -0.835 -1.724 1.00 0.00 C ATOM 0 H VAL A 54 -5.039 3.456 -1.997 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.277 1.107 -3.724 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.886 0.098 -1.969 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.559 0.212 0.427 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -4.230 1.832 -0.234 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -5.909 1.285 -0.013 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.458 -1.574 -1.007 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -6.830 -0.538 -1.465 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.806 -1.267 -2.725 1.00 0.00 H new ATOM 837 N THR A 55 -7.480 2.397 -3.486 1.00 0.00 N ATOM 838 CA THR A 55 -8.924 2.761 -3.369 1.00 0.00 C ATOM 839 C THR A 55 -9.803 1.594 -3.827 1.00 0.00 C ATOM 840 O THR A 55 -9.530 0.960 -4.828 1.00 0.00 O ATOM 841 CB THR A 55 -9.104 3.961 -4.299 1.00 0.00 C ATOM 842 OG1 THR A 55 -8.025 4.867 -4.115 1.00 0.00 O ATOM 843 CG2 THR A 55 -10.424 4.664 -3.978 1.00 0.00 C ATOM 0 H THR A 55 -7.044 2.646 -4.374 1.00 0.00 H new ATOM 0 HA THR A 55 -9.210 2.991 -2.343 1.00 0.00 H new ATOM 0 HB THR A 55 -9.119 3.620 -5.334 1.00 0.00 H new ATOM 0 HG1 THR A 55 -8.138 5.636 -4.712 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.551 5.519 -4.641 1.00 0.00 H new ATOM 0 HG22 THR A 55 -11.251 3.968 -4.120 1.00 0.00 H new ATOM 0 HG23 THR A 55 -10.412 5.006 -2.943 1.00 0.00 H new ATOM 851 N GLU A 56 -10.856 1.312 -3.102 1.00 0.00 N ATOM 852 CA GLU A 56 -11.760 0.185 -3.493 1.00 0.00 C ATOM 853 C GLU A 56 -12.380 0.460 -4.866 1.00 0.00 C ATOM 854 O GLU A 56 -12.859 1.564 -5.068 1.00 0.00 O ATOM 855 CB GLU A 56 -12.846 0.142 -2.416 1.00 0.00 C ATOM 856 CG GLU A 56 -13.403 -1.279 -2.310 1.00 0.00 C ATOM 857 CD GLU A 56 -14.880 -1.222 -1.915 1.00 0.00 C ATOM 858 OE1 GLU A 56 -15.702 -1.046 -2.799 1.00 0.00 O ATOM 859 OE2 GLU A 56 -15.163 -1.354 -0.736 1.00 0.00 O ATOM 860 OXT GLU A 56 -12.365 -0.438 -5.691 1.00 0.00 O ATOM 0 H GLU A 56 -11.130 1.813 -2.256 1.00 0.00 H new ATOM 0 HA GLU A 56 -11.225 -0.762 -3.565 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -12.434 0.455 -1.457 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -13.646 0.840 -2.663 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -13.290 -1.797 -3.263 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -12.840 -1.847 -1.570 1.00 0.00 H new