USER MOD reduce.3.24.130724 H: found=0, std=0, add=473, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 472 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 1 THR N :NH3+ 167:sc=-0.00661 (180deg=-0.223) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0 USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN :FLIP amide:sc= 0.4 F(o=-0.15,f=0.4) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.484 X(o=-0.48,f=-0.21) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -153:sc= -0.0179 (180deg=-0.581) USER MOD Single : A 25 THR OG1 : rot 78:sc= -2.17! USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -167:sc= 0.129 (180deg=0.0713) USER MOD Single : A 35 ASN : amide:sc= -4.61 K(o=-4.6,f=-5.4!) USER MOD Single : A 37 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00435) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.00827 USER MOD Single : A 44 THR OG1 : rot -90:sc= -0.488 USER MOD Single : A 46 LYS NZ :NH3+ 174:sc= 0.396 (180deg=0.377) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 73:sc= 1.12 USER MOD Single : A 53 THR OG1 : rot 70:sc= 0.152 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.00178 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 2.568 31.228 -21.815 1.00 0.00 N ATOM 2 CA THR A 1 2.897 29.808 -21.526 1.00 0.00 C ATOM 3 C THR A 1 3.306 29.621 -20.069 1.00 0.00 C ATOM 4 O THR A 1 4.349 30.113 -19.638 1.00 0.00 O ATOM 5 CB THR A 1 4.035 29.374 -22.452 1.00 0.00 C ATOM 6 OG1 THR A 1 4.321 27.997 -22.285 1.00 0.00 O ATOM 7 CG2 THR A 1 5.320 30.140 -22.222 1.00 0.00 C ATOM 0 H1 THR A 1 2.509 31.368 -22.844 1.00 0.00 H new ATOM 0 H2 THR A 1 1.655 31.468 -21.380 1.00 0.00 H new ATOM 0 H3 THR A 1 3.310 31.843 -21.424 1.00 0.00 H new ATOM 0 HA THR A 1 2.013 29.194 -21.700 1.00 0.00 H new ATOM 0 HB THR A 1 3.681 29.584 -23.461 1.00 0.00 H new ATOM 0 HG1 THR A 1 5.050 27.739 -22.887 1.00 0.00 H new ATOM 0 HG21 THR A 1 6.085 29.783 -22.911 1.00 0.00 H new ATOM 0 HG22 THR A 1 5.146 31.202 -22.393 1.00 0.00 H new ATOM 0 HG23 THR A 1 5.656 29.987 -21.196 1.00 0.00 H new ATOM 17 N THR A 2 2.478 28.907 -19.314 1.00 0.00 N ATOM 18 CA THR A 2 2.754 28.656 -17.904 1.00 0.00 C ATOM 19 C THR A 2 2.416 27.216 -17.529 1.00 0.00 C ATOM 20 O THR A 2 1.285 26.765 -17.712 1.00 0.00 O ATOM 21 CB THR A 2 1.956 29.624 -17.027 1.00 0.00 C ATOM 22 OG1 THR A 2 2.137 30.959 -17.462 1.00 0.00 O ATOM 23 CG2 THR A 2 2.341 29.561 -15.564 1.00 0.00 C ATOM 0 H THR A 2 1.611 28.492 -19.655 1.00 0.00 H new ATOM 0 HA THR A 2 3.819 28.815 -17.735 1.00 0.00 H new ATOM 0 HB THR A 2 0.916 29.314 -17.126 1.00 0.00 H new ATOM 0 HG1 THR A 2 1.618 31.563 -16.890 1.00 0.00 H new ATOM 0 HG21 THR A 2 1.738 30.271 -14.998 1.00 0.00 H new ATOM 0 HG22 THR A 2 2.166 28.554 -15.185 1.00 0.00 H new ATOM 0 HG23 THR A 2 3.396 29.812 -15.454 1.00 0.00 H new ATOM 31 N TYR A 3 3.404 26.498 -17.006 1.00 0.00 N ATOM 32 CA TYR A 3 3.213 25.109 -16.606 1.00 0.00 C ATOM 33 C TYR A 3 3.283 24.966 -15.088 1.00 0.00 C ATOM 34 O TYR A 3 4.154 25.544 -14.439 1.00 0.00 O ATOM 35 CB TYR A 3 4.268 24.217 -17.263 1.00 0.00 C ATOM 36 CG TYR A 3 3.715 22.912 -17.792 1.00 0.00 C ATOM 37 CD1 TYR A 3 2.986 22.060 -16.971 1.00 0.00 C ATOM 38 CD2 TYR A 3 3.923 22.531 -19.111 1.00 0.00 C ATOM 39 CE1 TYR A 3 2.480 20.867 -17.450 1.00 0.00 C ATOM 40 CE2 TYR A 3 3.418 21.340 -19.599 1.00 0.00 C ATOM 41 CZ TYR A 3 2.698 20.512 -18.764 1.00 0.00 C ATOM 42 OH TYR A 3 2.195 19.325 -19.245 1.00 0.00 O ATOM 0 H TYR A 3 4.346 26.856 -16.849 1.00 0.00 H new ATOM 0 HA TYR A 3 2.224 24.794 -16.938 1.00 0.00 H new ATOM 0 HB2 TYR A 3 4.734 24.763 -18.083 1.00 0.00 H new ATOM 0 HB3 TYR A 3 5.052 24.002 -16.537 1.00 0.00 H new ATOM 0 HD1 TYR A 3 2.812 22.335 -15.941 1.00 0.00 H new ATOM 0 HD2 TYR A 3 4.489 23.176 -19.767 1.00 0.00 H new ATOM 0 HE1 TYR A 3 1.916 20.216 -16.798 1.00 0.00 H new ATOM 0 HE2 TYR A 3 3.587 21.060 -20.628 1.00 0.00 H new ATOM 0 HH TYR A 3 2.437 19.226 -20.190 1.00 0.00 H new ATOM 52 N LYS A 4 2.360 24.190 -14.529 1.00 0.00 N ATOM 53 CA LYS A 4 2.316 23.970 -13.088 1.00 0.00 C ATOM 54 C LYS A 4 2.877 22.598 -12.730 1.00 0.00 C ATOM 55 O LYS A 4 2.640 21.616 -13.434 1.00 0.00 O ATOM 56 CB LYS A 4 0.880 24.095 -12.576 1.00 0.00 C ATOM 57 CG LYS A 4 -0.094 23.155 -13.265 1.00 0.00 C ATOM 58 CD LYS A 4 -1.254 22.788 -12.354 1.00 0.00 C ATOM 59 CE LYS A 4 -1.007 21.470 -11.640 1.00 0.00 C ATOM 60 NZ LYS A 4 -2.232 20.623 -11.594 1.00 0.00 N ATOM 0 H LYS A 4 1.632 23.703 -15.052 1.00 0.00 H new ATOM 0 HA LYS A 4 2.933 24.731 -12.610 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.867 23.897 -11.504 1.00 0.00 H new ATOM 0 HB3 LYS A 4 0.541 25.122 -12.715 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -0.476 23.626 -14.171 1.00 0.00 H new ATOM 0 HG3 LYS A 4 0.429 22.249 -13.573 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -1.405 23.578 -11.619 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -2.170 22.719 -12.940 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -0.209 20.927 -12.147 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -0.664 21.666 -10.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -2.021 19.733 -11.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -2.986 21.130 -11.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -2.546 20.413 -12.563 1.00 0.00 H new ATOM 74 N LEU A 5 3.620 22.537 -11.630 1.00 0.00 N ATOM 75 CA LEU A 5 4.215 21.285 -11.176 1.00 0.00 C ATOM 76 C LEU A 5 3.137 20.236 -10.919 1.00 0.00 C ATOM 77 O LEU A 5 2.477 20.252 -9.880 1.00 0.00 O ATOM 78 CB LEU A 5 5.030 21.519 -9.900 1.00 0.00 C ATOM 79 CG LEU A 5 6.290 22.393 -10.049 1.00 0.00 C ATOM 80 CD1 LEU A 5 7.535 21.589 -9.715 1.00 0.00 C ATOM 81 CD2 LEU A 5 6.406 22.985 -11.450 1.00 0.00 C ATOM 0 H LEU A 5 3.825 23.340 -11.036 1.00 0.00 H new ATOM 0 HA LEU A 5 4.877 20.917 -11.960 1.00 0.00 H new ATOM 0 HB2 LEU A 5 4.379 21.980 -9.157 1.00 0.00 H new ATOM 0 HB3 LEU A 5 5.330 20.550 -9.503 1.00 0.00 H new ATOM 0 HG LEU A 5 6.199 23.221 -9.346 1.00 0.00 H new ATOM 0 HD11 LEU A 5 8.416 22.221 -9.825 1.00 0.00 H new ATOM 0 HD12 LEU A 5 7.472 21.230 -8.688 1.00 0.00 H new ATOM 0 HD13 LEU A 5 7.611 20.738 -10.392 1.00 0.00 H new ATOM 0 HD21 LEU A 5 7.307 23.595 -11.514 1.00 0.00 H new ATOM 0 HD22 LEU A 5 6.460 22.179 -12.182 1.00 0.00 H new ATOM 0 HD23 LEU A 5 5.533 23.605 -11.656 1.00 0.00 H new ATOM 93 N ILE A 6 2.963 19.328 -11.873 1.00 0.00 N ATOM 94 CA ILE A 6 1.966 18.276 -11.754 1.00 0.00 C ATOM 95 C ILE A 6 2.365 17.253 -10.691 1.00 0.00 C ATOM 96 O ILE A 6 2.716 16.116 -11.006 1.00 0.00 O ATOM 97 CB ILE A 6 1.749 17.562 -13.104 1.00 0.00 C ATOM 98 CG1 ILE A 6 0.627 16.530 -12.986 1.00 0.00 C ATOM 99 CG2 ILE A 6 3.039 16.906 -13.577 1.00 0.00 C ATOM 100 CD1 ILE A 6 -0.699 17.129 -12.573 1.00 0.00 C ATOM 0 H ILE A 6 3.502 19.301 -12.739 1.00 0.00 H new ATOM 0 HA ILE A 6 1.032 18.750 -11.451 1.00 0.00 H new ATOM 0 HB ILE A 6 1.455 18.305 -13.846 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.506 16.024 -13.944 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.916 15.771 -12.259 1.00 0.00 H new ATOM 0 HG21 ILE A 6 2.865 16.408 -14.531 1.00 0.00 H new ATOM 0 HG22 ILE A 6 3.810 17.667 -13.700 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.366 16.174 -12.839 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.450 16.341 -12.509 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.594 17.610 -11.601 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.010 17.868 -13.312 1.00 0.00 H new ATOM 112 N LEU A 7 2.304 17.666 -9.430 1.00 0.00 N ATOM 113 CA LEU A 7 2.655 16.788 -8.318 1.00 0.00 C ATOM 114 C LEU A 7 1.436 16.511 -7.445 1.00 0.00 C ATOM 115 O LEU A 7 0.627 17.404 -7.192 1.00 0.00 O ATOM 116 CB LEU A 7 3.770 17.413 -7.477 1.00 0.00 C ATOM 117 CG LEU A 7 3.368 18.664 -6.690 1.00 0.00 C ATOM 118 CD1 LEU A 7 3.604 18.461 -5.201 1.00 0.00 C ATOM 119 CD2 LEU A 7 4.133 19.881 -7.191 1.00 0.00 C ATOM 0 H LEU A 7 2.015 18.604 -9.151 1.00 0.00 H new ATOM 0 HA LEU A 7 3.010 15.843 -8.729 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.138 16.664 -6.775 1.00 0.00 H new ATOM 0 HB3 LEU A 7 4.601 17.668 -8.135 1.00 0.00 H new ATOM 0 HG LEU A 7 2.304 18.838 -6.847 1.00 0.00 H new ATOM 0 HD11 LEU A 7 3.312 19.361 -4.660 1.00 0.00 H new ATOM 0 HD12 LEU A 7 3.009 17.618 -4.850 1.00 0.00 H new ATOM 0 HD13 LEU A 7 4.660 18.258 -5.024 1.00 0.00 H new ATOM 0 HD21 LEU A 7 3.834 20.760 -6.620 1.00 0.00 H new ATOM 0 HD22 LEU A 7 5.203 19.715 -7.067 1.00 0.00 H new ATOM 0 HD23 LEU A 7 3.911 20.041 -8.246 1.00 0.00 H new ATOM 131 N ASN A 8 1.307 15.269 -6.988 1.00 0.00 N ATOM 132 CA ASN A 8 0.182 14.882 -6.146 1.00 0.00 C ATOM 133 C ASN A 8 0.417 13.521 -5.499 1.00 0.00 C ATOM 134 O ASN A 8 1.275 12.753 -5.932 1.00 0.00 O ATOM 135 CB ASN A 8 -1.110 14.856 -6.968 1.00 0.00 C ATOM 136 CG ASN A 8 -2.110 15.897 -6.507 1.00 0.00 C ATOM 137 OD1 ASN A 8 -3.048 15.484 -5.661 1.00 0.00 O flip ATOM 138 ND2 ASN A 8 -2.041 17.061 -6.904 1.00 0.00 N flip ATOM 0 H ASN A 8 1.966 14.516 -7.186 1.00 0.00 H new ATOM 0 HA ASN A 8 0.087 15.623 -5.352 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -0.872 15.025 -8.018 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -1.562 13.866 -6.898 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -1.304 17.335 -7.554 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -2.721 17.750 -6.583 1.00 0.00 H new ATOM 145 N LEU A 9 -0.360 13.237 -4.462 1.00 0.00 N ATOM 146 CA LEU A 9 -0.259 11.974 -3.740 1.00 0.00 C ATOM 147 C LEU A 9 -0.892 10.836 -4.536 1.00 0.00 C ATOM 148 O LEU A 9 -0.479 9.684 -4.419 1.00 0.00 O ATOM 149 CB LEU A 9 -0.920 12.093 -2.369 1.00 0.00 C ATOM 150 CG LEU A 9 -2.273 12.801 -2.362 1.00 0.00 C ATOM 151 CD1 LEU A 9 -3.228 12.094 -1.420 1.00 0.00 C ATOM 152 CD2 LEU A 9 -2.111 14.261 -1.966 1.00 0.00 C ATOM 0 H LEU A 9 -1.073 13.870 -4.099 1.00 0.00 H new ATOM 0 HA LEU A 9 0.798 11.745 -3.603 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -1.049 11.092 -1.957 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.244 12.628 -1.702 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.689 12.767 -3.369 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.189 12.608 -1.423 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.366 11.064 -1.748 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.816 12.102 -0.411 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.086 14.749 -1.967 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.676 14.321 -0.968 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.455 14.761 -2.679 1.00 0.00 H new ATOM 164 N LYS A 10 -1.911 11.170 -5.329 1.00 0.00 N ATOM 165 CA LYS A 10 -2.633 10.193 -6.146 1.00 0.00 C ATOM 166 C LYS A 10 -1.715 9.094 -6.684 1.00 0.00 C ATOM 167 O LYS A 10 -2.035 7.911 -6.586 1.00 0.00 O ATOM 168 CB LYS A 10 -3.330 10.896 -7.313 1.00 0.00 C ATOM 169 CG LYS A 10 -4.247 12.032 -6.884 1.00 0.00 C ATOM 170 CD LYS A 10 -5.266 11.570 -5.855 1.00 0.00 C ATOM 171 CE LYS A 10 -6.043 12.742 -5.272 1.00 0.00 C ATOM 172 NZ LYS A 10 -5.840 12.865 -3.802 1.00 0.00 N ATOM 0 H LYS A 10 -2.259 12.124 -5.423 1.00 0.00 H new ATOM 0 HA LYS A 10 -3.373 9.719 -5.501 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -2.574 11.288 -7.993 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.912 10.163 -7.872 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.651 12.844 -6.468 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.765 12.431 -7.756 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.959 10.867 -6.318 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.758 11.035 -5.053 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.729 13.665 -5.760 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -7.105 12.615 -5.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -6.385 13.674 -3.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.163 11.995 -3.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -4.830 13.012 -3.602 1.00 0.00 H new ATOM 186 N GLN A 11 -0.572 9.480 -7.251 1.00 0.00 N ATOM 187 CA GLN A 11 0.372 8.503 -7.794 1.00 0.00 C ATOM 188 C GLN A 11 0.586 7.354 -6.811 1.00 0.00 C ATOM 189 O GLN A 11 0.761 6.200 -7.208 1.00 0.00 O ATOM 190 CB GLN A 11 1.710 9.172 -8.121 1.00 0.00 C ATOM 191 CG GLN A 11 2.286 9.985 -6.974 1.00 0.00 C ATOM 192 CD GLN A 11 3.798 9.903 -6.905 1.00 0.00 C ATOM 193 OE1 GLN A 11 4.475 9.835 -7.931 1.00 0.00 O ATOM 194 NE2 GLN A 11 4.336 9.908 -5.691 1.00 0.00 N ATOM 0 H GLN A 11 -0.279 10.452 -7.346 1.00 0.00 H new ATOM 0 HA GLN A 11 -0.051 8.099 -8.714 1.00 0.00 H new ATOM 0 HB2 GLN A 11 2.429 8.404 -8.407 1.00 0.00 H new ATOM 0 HB3 GLN A 11 1.578 9.823 -8.985 1.00 0.00 H new ATOM 0 HG2 GLN A 11 1.987 11.027 -7.086 1.00 0.00 H new ATOM 0 HG3 GLN A 11 1.863 9.631 -6.034 1.00 0.00 H new ATOM 0 HE21 GLN A 11 3.737 9.966 -4.868 1.00 0.00 H new ATOM 0 HE22 GLN A 11 5.349 9.854 -5.582 1.00 0.00 H new ATOM 203 N ALA A 12 0.549 7.682 -5.525 1.00 0.00 N ATOM 204 CA ALA A 12 0.719 6.691 -4.473 1.00 0.00 C ATOM 205 C ALA A 12 -0.601 5.988 -4.179 1.00 0.00 C ATOM 206 O ALA A 12 -0.629 4.806 -3.837 1.00 0.00 O ATOM 207 CB ALA A 12 1.261 7.349 -3.215 1.00 0.00 C ATOM 0 H ALA A 12 0.402 8.633 -5.186 1.00 0.00 H new ATOM 0 HA ALA A 12 1.436 5.944 -4.814 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.384 6.597 -2.435 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.225 7.808 -3.431 1.00 0.00 H new ATOM 0 HB3 ALA A 12 0.563 8.114 -2.875 1.00 0.00 H new ATOM 213 N LYS A 13 -1.701 6.721 -4.331 1.00 0.00 N ATOM 214 CA LYS A 13 -3.022 6.164 -4.099 1.00 0.00 C ATOM 215 C LYS A 13 -3.262 5.009 -5.068 1.00 0.00 C ATOM 216 O LYS A 13 -3.863 3.995 -4.713 1.00 0.00 O ATOM 217 CB LYS A 13 -4.093 7.261 -4.240 1.00 0.00 C ATOM 218 CG LYS A 13 -5.306 6.861 -5.069 1.00 0.00 C ATOM 219 CD LYS A 13 -5.003 6.919 -6.558 1.00 0.00 C ATOM 220 CE LYS A 13 -5.820 7.994 -7.257 1.00 0.00 C ATOM 221 NZ LYS A 13 -6.903 7.410 -8.096 1.00 0.00 N ATOM 0 H LYS A 13 -1.699 7.701 -4.614 1.00 0.00 H new ATOM 0 HA LYS A 13 -3.087 5.775 -3.083 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.430 7.552 -3.245 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -3.635 8.141 -4.691 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -5.617 5.852 -4.798 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -6.140 7.524 -4.840 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -3.941 7.115 -6.706 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -5.214 5.950 -7.010 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -6.256 8.660 -6.513 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -5.164 8.600 -7.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -7.437 8.175 -8.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.485 6.794 -8.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -7.544 6.852 -7.496 1.00 0.00 H new ATOM 235 N GLU A 14 -2.762 5.171 -6.290 1.00 0.00 N ATOM 236 CA GLU A 14 -2.892 4.144 -7.312 1.00 0.00 C ATOM 237 C GLU A 14 -1.889 3.028 -7.052 1.00 0.00 C ATOM 238 O GLU A 14 -2.151 1.860 -7.341 1.00 0.00 O ATOM 239 CB GLU A 14 -2.674 4.741 -8.705 1.00 0.00 C ATOM 240 CG GLU A 14 -2.761 3.718 -9.827 1.00 0.00 C ATOM 241 CD GLU A 14 -4.192 3.347 -10.166 1.00 0.00 C ATOM 242 OE1 GLU A 14 -4.778 2.516 -9.440 1.00 0.00 O ATOM 243 OE2 GLU A 14 -4.726 3.887 -11.157 1.00 0.00 O ATOM 0 H GLU A 14 -2.262 6.007 -6.594 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.901 3.733 -7.271 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -3.416 5.520 -8.877 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -1.695 5.220 -8.737 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -2.272 4.116 -10.716 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -2.215 2.820 -9.538 1.00 0.00 H new ATOM 250 N GLU A 15 -0.742 3.400 -6.487 1.00 0.00 N ATOM 251 CA GLU A 15 0.304 2.437 -6.162 1.00 0.00 C ATOM 252 C GLU A 15 -0.271 1.289 -5.338 1.00 0.00 C ATOM 253 O GLU A 15 -0.056 0.114 -5.644 1.00 0.00 O ATOM 254 CB GLU A 15 1.421 3.129 -5.381 1.00 0.00 C ATOM 255 CG GLU A 15 2.613 3.512 -6.233 1.00 0.00 C ATOM 256 CD GLU A 15 3.241 2.320 -6.929 1.00 0.00 C ATOM 257 OE1 GLU A 15 4.009 1.587 -6.273 1.00 0.00 O ATOM 258 OE2 GLU A 15 2.964 2.121 -8.131 1.00 0.00 O ATOM 0 H GLU A 15 -0.515 4.364 -6.245 1.00 0.00 H new ATOM 0 HA GLU A 15 0.711 2.033 -7.089 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.020 4.026 -4.909 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.755 2.469 -4.580 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.301 4.241 -6.981 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.361 3.998 -5.607 1.00 0.00 H new ATOM 265 N ALA A 16 -1.013 1.645 -4.295 1.00 0.00 N ATOM 266 CA ALA A 16 -1.632 0.658 -3.421 1.00 0.00 C ATOM 267 C ALA A 16 -2.818 -0.011 -4.103 1.00 0.00 C ATOM 268 O ALA A 16 -3.002 -1.221 -3.997 1.00 0.00 O ATOM 269 CB ALA A 16 -2.068 1.309 -2.119 1.00 0.00 C ATOM 0 H ALA A 16 -1.200 2.613 -4.035 1.00 0.00 H new ATOM 0 HA ALA A 16 -0.892 -0.112 -3.200 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.529 0.561 -1.475 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -1.200 1.735 -1.617 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -2.788 2.099 -2.331 1.00 0.00 H new ATOM 275 N ILE A 17 -3.621 0.784 -4.806 1.00 0.00 N ATOM 276 CA ILE A 17 -4.791 0.263 -5.507 1.00 0.00 C ATOM 277 C ILE A 17 -4.390 -0.855 -6.468 1.00 0.00 C ATOM 278 O ILE A 17 -4.996 -1.927 -6.474 1.00 0.00 O ATOM 279 CB ILE A 17 -5.525 1.392 -6.280 1.00 0.00 C ATOM 280 CG1 ILE A 17 -6.387 2.212 -5.319 1.00 0.00 C ATOM 281 CG2 ILE A 17 -6.377 0.841 -7.425 1.00 0.00 C ATOM 282 CD1 ILE A 17 -7.133 3.344 -5.992 1.00 0.00 C ATOM 0 H ILE A 17 -3.483 1.790 -4.905 1.00 0.00 H new ATOM 0 HA ILE A 17 -5.473 -0.144 -4.760 1.00 0.00 H new ATOM 0 HB ILE A 17 -4.766 2.037 -6.722 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -7.106 1.551 -4.835 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -5.752 2.622 -4.534 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.873 1.665 -7.939 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -5.739 0.306 -8.128 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -7.127 0.159 -7.025 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -7.723 3.882 -5.251 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -6.419 4.027 -6.453 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -7.794 2.939 -6.758 1.00 0.00 H new ATOM 294 N LYS A 18 -3.366 -0.599 -7.273 1.00 0.00 N ATOM 295 CA LYS A 18 -2.886 -1.587 -8.233 1.00 0.00 C ATOM 296 C LYS A 18 -2.397 -2.843 -7.518 1.00 0.00 C ATOM 297 O LYS A 18 -2.702 -3.963 -7.929 1.00 0.00 O ATOM 298 CB LYS A 18 -1.761 -0.994 -9.085 1.00 0.00 C ATOM 299 CG LYS A 18 -2.107 -0.889 -10.562 1.00 0.00 C ATOM 300 CD LYS A 18 -3.292 0.036 -10.791 1.00 0.00 C ATOM 301 CE LYS A 18 -4.214 -0.500 -11.875 1.00 0.00 C ATOM 302 NZ LYS A 18 -3.455 -0.963 -13.070 1.00 0.00 N ATOM 0 H LYS A 18 -2.852 0.282 -7.281 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.716 -1.863 -8.884 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.514 -0.002 -8.707 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.868 -1.609 -8.972 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.243 -0.519 -11.114 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -2.336 -1.880 -10.955 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.850 0.152 -9.862 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.933 1.026 -11.073 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.802 -1.326 -11.476 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -4.918 0.278 -12.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -4.057 -0.886 -13.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -2.608 -0.372 -13.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.170 -1.954 -12.937 1.00 0.00 H new ATOM 316 N GLU A 19 -1.633 -2.649 -6.448 1.00 0.00 N ATOM 317 CA GLU A 19 -1.097 -3.763 -5.675 1.00 0.00 C ATOM 318 C GLU A 19 -2.192 -4.473 -4.888 1.00 0.00 C ATOM 319 O GLU A 19 -2.143 -5.689 -4.696 1.00 0.00 O ATOM 320 CB GLU A 19 -0.019 -3.257 -4.719 1.00 0.00 C ATOM 321 CG GLU A 19 1.025 -2.386 -5.397 1.00 0.00 C ATOM 322 CD GLU A 19 2.232 -3.177 -5.862 1.00 0.00 C ATOM 323 OE1 GLU A 19 2.874 -3.834 -5.016 1.00 0.00 O ATOM 324 OE2 GLU A 19 2.535 -3.141 -7.073 1.00 0.00 O ATOM 0 H GLU A 19 -1.371 -1.728 -6.096 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.664 -4.480 -6.372 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.491 -2.689 -3.918 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.476 -4.111 -4.256 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.573 -1.883 -6.252 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.349 -1.609 -4.705 1.00 0.00 H new ATOM 331 N LEU A 20 -3.175 -3.709 -4.425 1.00 0.00 N ATOM 332 CA LEU A 20 -4.271 -4.272 -3.645 1.00 0.00 C ATOM 333 C LEU A 20 -5.144 -5.185 -4.497 1.00 0.00 C ATOM 334 O LEU A 20 -5.543 -6.263 -4.060 1.00 0.00 O ATOM 335 CB LEU A 20 -5.122 -3.158 -3.028 1.00 0.00 C ATOM 336 CG LEU A 20 -4.932 -2.940 -1.523 1.00 0.00 C ATOM 337 CD1 LEU A 20 -3.542 -2.412 -1.227 1.00 0.00 C ATOM 338 CD2 LEU A 20 -5.984 -1.982 -0.997 1.00 0.00 C ATOM 0 H LEU A 20 -3.236 -2.702 -4.575 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.834 -4.868 -2.844 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.897 -2.225 -3.544 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -6.172 -3.381 -3.216 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.046 -3.900 -1.019 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.430 -2.265 -0.153 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.799 -3.129 -1.575 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.397 -1.462 -1.741 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.839 -1.835 0.073 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -5.894 -1.025 -1.511 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.976 -2.397 -1.175 1.00 0.00 H new ATOM 350 N VAL A 21 -5.441 -4.746 -5.711 1.00 0.00 N ATOM 351 CA VAL A 21 -6.271 -5.523 -6.622 1.00 0.00 C ATOM 352 C VAL A 21 -5.543 -6.778 -7.096 1.00 0.00 C ATOM 353 O VAL A 21 -6.168 -7.798 -7.388 1.00 0.00 O ATOM 354 CB VAL A 21 -6.688 -4.689 -7.850 1.00 0.00 C ATOM 355 CG1 VAL A 21 -7.771 -5.407 -8.639 1.00 0.00 C ATOM 356 CG2 VAL A 21 -7.159 -3.303 -7.429 1.00 0.00 C ATOM 0 H VAL A 21 -5.120 -3.855 -6.089 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.164 -5.813 -6.068 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.816 -4.569 -8.493 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -8.053 -4.804 -9.502 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.395 -6.372 -8.978 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -8.643 -5.561 -8.003 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -7.448 -2.733 -8.312 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -8.016 -3.397 -6.762 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.351 -2.786 -6.912 1.00 0.00 H new ATOM 366 N ASP A 22 -4.221 -6.687 -7.184 1.00 0.00 N ATOM 367 CA ASP A 22 -3.398 -7.803 -7.640 1.00 0.00 C ATOM 368 C ASP A 22 -3.285 -8.910 -6.589 1.00 0.00 C ATOM 369 O ASP A 22 -3.025 -10.064 -6.928 1.00 0.00 O ATOM 370 CB ASP A 22 -2.001 -7.305 -8.015 1.00 0.00 C ATOM 371 CG ASP A 22 -1.415 -8.062 -9.191 1.00 0.00 C ATOM 372 OD1 ASP A 22 -1.696 -7.674 -10.345 1.00 0.00 O ATOM 373 OD2 ASP A 22 -0.674 -9.040 -8.959 1.00 0.00 O ATOM 0 H ASP A 22 -3.693 -5.848 -6.944 1.00 0.00 H new ATOM 0 HA ASP A 22 -3.889 -8.229 -8.515 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -2.049 -6.243 -8.257 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.339 -7.406 -7.155 1.00 0.00 H new ATOM 378 N ALA A 23 -3.467 -8.562 -5.316 1.00 0.00 N ATOM 379 CA ALA A 23 -3.364 -9.559 -4.243 1.00 0.00 C ATOM 380 C ALA A 23 -4.557 -9.498 -3.289 1.00 0.00 C ATOM 381 O ALA A 23 -5.151 -8.441 -3.089 1.00 0.00 O ATOM 382 CB ALA A 23 -2.056 -9.384 -3.471 1.00 0.00 C ATOM 0 H ALA A 23 -3.683 -7.616 -5.002 1.00 0.00 H new ATOM 0 HA ALA A 23 -3.370 -10.542 -4.713 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.998 -10.132 -2.680 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.213 -9.508 -4.151 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.024 -8.387 -3.031 1.00 0.00 H new ATOM 388 N GLY A 24 -4.899 -10.645 -2.705 1.00 0.00 N ATOM 389 CA GLY A 24 -6.015 -10.707 -1.781 1.00 0.00 C ATOM 390 C GLY A 24 -5.739 -9.975 -0.478 1.00 0.00 C ATOM 391 O GLY A 24 -5.649 -10.588 0.583 1.00 0.00 O ATOM 0 H GLY A 24 -4.421 -11.533 -2.857 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.898 -10.277 -2.254 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -6.245 -11.750 -1.565 1.00 0.00 H new ATOM 395 N THR A 25 -5.603 -8.661 -0.570 1.00 0.00 N ATOM 396 CA THR A 25 -5.333 -7.814 0.586 1.00 0.00 C ATOM 397 C THR A 25 -6.609 -7.100 1.043 1.00 0.00 C ATOM 398 O THR A 25 -7.713 -7.482 0.658 1.00 0.00 O ATOM 399 CB THR A 25 -4.241 -6.809 0.236 1.00 0.00 C ATOM 400 OG1 THR A 25 -4.173 -5.774 1.201 1.00 0.00 O ATOM 401 CG2 THR A 25 -4.438 -6.176 -1.108 1.00 0.00 C ATOM 0 H THR A 25 -5.677 -8.149 -1.449 1.00 0.00 H new ATOM 0 HA THR A 25 -4.988 -8.435 1.412 1.00 0.00 H new ATOM 0 HB THR A 25 -3.314 -7.382 0.220 1.00 0.00 H new ATOM 0 HG1 THR A 25 -3.711 -6.102 2.001 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.629 -5.471 -1.300 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.437 -6.948 -1.878 1.00 0.00 H new ATOM 0 HG23 THR A 25 -5.392 -5.648 -1.125 1.00 0.00 H new ATOM 409 N ALA A 26 -6.450 -6.057 1.851 1.00 0.00 N ATOM 410 CA ALA A 26 -7.586 -5.288 2.349 1.00 0.00 C ATOM 411 C ALA A 26 -7.741 -3.976 1.576 1.00 0.00 C ATOM 412 O ALA A 26 -6.758 -3.323 1.250 1.00 0.00 O ATOM 413 CB ALA A 26 -7.424 -5.009 3.832 1.00 0.00 C ATOM 0 H ALA A 26 -5.542 -5.724 2.176 1.00 0.00 H new ATOM 0 HA ALA A 26 -8.489 -5.880 2.198 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -8.279 -4.435 4.190 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -7.367 -5.952 4.376 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.509 -4.440 3.997 1.00 0.00 H new ATOM 419 N GLU A 27 -8.988 -3.614 1.296 1.00 0.00 N ATOM 420 CA GLU A 27 -9.292 -2.388 0.559 1.00 0.00 C ATOM 421 C GLU A 27 -9.002 -1.144 1.397 1.00 0.00 C ATOM 422 O GLU A 27 -8.595 -0.101 0.873 1.00 0.00 O ATOM 423 CB GLU A 27 -10.761 -2.392 0.130 1.00 0.00 C ATOM 424 CG GLU A 27 -11.187 -3.668 -0.580 1.00 0.00 C ATOM 425 CD GLU A 27 -10.822 -3.666 -2.051 1.00 0.00 C ATOM 426 OE1 GLU A 27 -11.508 -2.975 -2.832 1.00 0.00 O ATOM 427 OE2 GLU A 27 -9.849 -4.356 -2.422 1.00 0.00 O ATOM 0 H GLU A 27 -9.810 -4.153 1.569 1.00 0.00 H new ATOM 0 HA GLU A 27 -8.651 -2.358 -0.322 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -11.388 -2.250 1.010 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -10.940 -1.543 -0.529 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.718 -4.524 -0.094 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -12.265 -3.794 -0.477 1.00 0.00 H new ATOM 434 N LYS A 28 -9.228 -1.256 2.701 1.00 0.00 N ATOM 435 CA LYS A 28 -9.005 -0.139 3.618 1.00 0.00 C ATOM 436 C LYS A 28 -7.641 0.509 3.395 1.00 0.00 C ATOM 437 O LYS A 28 -7.466 1.698 3.653 1.00 0.00 O ATOM 438 CB LYS A 28 -9.124 -0.600 5.075 1.00 0.00 C ATOM 439 CG LYS A 28 -10.286 -1.545 5.330 1.00 0.00 C ATOM 440 CD LYS A 28 -11.589 -1.009 4.760 1.00 0.00 C ATOM 441 CE LYS A 28 -12.789 -1.501 5.546 1.00 0.00 C ATOM 442 NZ LYS A 28 -13.972 -1.735 4.673 1.00 0.00 N ATOM 0 H LYS A 28 -9.565 -2.108 3.149 1.00 0.00 H new ATOM 0 HA LYS A 28 -9.775 0.604 3.412 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -8.197 -1.093 5.366 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.234 0.276 5.715 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -10.068 -2.516 4.886 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -10.397 -1.703 6.403 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.569 0.081 4.770 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.685 -1.317 3.719 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -12.530 -2.426 6.061 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -13.044 -0.770 6.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -14.769 -2.070 5.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -14.236 -0.847 4.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -13.738 -2.452 3.956 1.00 0.00 H new ATOM 456 N TYR A 29 -6.674 -0.277 2.930 1.00 0.00 N ATOM 457 CA TYR A 29 -5.325 0.243 2.698 1.00 0.00 C ATOM 458 C TYR A 29 -5.318 1.352 1.647 1.00 0.00 C ATOM 459 O TYR A 29 -4.823 2.448 1.912 1.00 0.00 O ATOM 460 CB TYR A 29 -4.348 -0.873 2.302 1.00 0.00 C ATOM 461 CG TYR A 29 -4.308 -2.007 3.301 1.00 0.00 C ATOM 462 CD1 TYR A 29 -4.230 -1.747 4.664 1.00 0.00 C ATOM 463 CD2 TYR A 29 -4.344 -3.332 2.888 1.00 0.00 C ATOM 464 CE1 TYR A 29 -4.189 -2.775 5.587 1.00 0.00 C ATOM 465 CE2 TYR A 29 -4.305 -4.364 3.804 1.00 0.00 C ATOM 466 CZ TYR A 29 -4.227 -4.080 5.151 1.00 0.00 C ATOM 467 OH TYR A 29 -4.186 -5.104 6.062 1.00 0.00 O ATOM 0 H TYR A 29 -6.794 -1.265 2.708 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.989 0.670 3.643 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -4.631 -1.266 1.326 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -3.348 -0.452 2.198 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -4.201 -0.724 5.008 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -4.403 -3.559 1.834 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -4.128 -2.556 6.643 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -4.335 -5.390 3.467 1.00 0.00 H new ATOM 0 HH TYR A 29 -4.223 -5.963 5.591 1.00 0.00 H new ATOM 477 N PHE A 30 -5.860 1.085 0.460 1.00 0.00 N ATOM 478 CA PHE A 30 -5.885 2.105 -0.586 1.00 0.00 C ATOM 479 C PHE A 30 -6.692 3.315 -0.135 1.00 0.00 C ATOM 480 O PHE A 30 -6.482 4.426 -0.622 1.00 0.00 O ATOM 481 CB PHE A 30 -6.423 1.555 -1.919 1.00 0.00 C ATOM 482 CG PHE A 30 -7.899 1.245 -1.942 1.00 0.00 C ATOM 483 CD1 PHE A 30 -8.848 2.237 -1.730 1.00 0.00 C ATOM 484 CD2 PHE A 30 -8.337 -0.045 -2.191 1.00 0.00 C ATOM 485 CE1 PHE A 30 -10.197 1.945 -1.763 1.00 0.00 C ATOM 486 CE2 PHE A 30 -9.684 -0.342 -2.227 1.00 0.00 C ATOM 487 CZ PHE A 30 -10.617 0.653 -2.011 1.00 0.00 C ATOM 0 H PHE A 30 -6.279 0.192 0.202 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.855 2.416 -0.760 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -6.209 2.280 -2.705 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -5.874 0.646 -2.166 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -8.526 3.250 -1.537 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -7.614 -0.830 -2.359 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -10.923 2.726 -1.595 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -10.009 -1.353 -2.424 1.00 0.00 H new ATOM 0 HZ PHE A 30 -11.672 0.422 -2.036 1.00 0.00 H new ATOM 497 N LYS A 31 -7.611 3.101 0.805 1.00 0.00 N ATOM 498 CA LYS A 31 -8.433 4.192 1.319 1.00 0.00 C ATOM 499 C LYS A 31 -7.716 4.906 2.459 1.00 0.00 C ATOM 500 O LYS A 31 -7.893 6.107 2.668 1.00 0.00 O ATOM 501 CB LYS A 31 -9.788 3.667 1.799 1.00 0.00 C ATOM 502 CG LYS A 31 -10.957 4.139 0.951 1.00 0.00 C ATOM 503 CD LYS A 31 -12.001 3.046 0.779 1.00 0.00 C ATOM 504 CE LYS A 31 -13.125 3.490 -0.142 1.00 0.00 C ATOM 505 NZ LYS A 31 -13.623 2.373 -0.992 1.00 0.00 N ATOM 0 H LYS A 31 -7.803 2.190 1.222 1.00 0.00 H new ATOM 0 HA LYS A 31 -8.602 4.902 0.509 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -9.767 2.577 1.800 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -9.947 3.983 2.830 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -11.416 5.011 1.416 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.594 4.453 -0.027 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -11.529 2.151 0.374 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -12.411 2.777 1.752 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -13.947 3.887 0.454 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -12.773 4.301 -0.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -14.224 2.755 -1.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -12.816 1.869 -1.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -14.177 1.714 -0.409 1.00 0.00 H new ATOM 519 N LEU A 32 -6.902 4.154 3.192 1.00 0.00 N ATOM 520 CA LEU A 32 -6.148 4.699 4.313 1.00 0.00 C ATOM 521 C LEU A 32 -4.918 5.455 3.822 1.00 0.00 C ATOM 522 O LEU A 32 -4.450 6.390 4.471 1.00 0.00 O ATOM 523 CB LEU A 32 -5.729 3.572 5.259 1.00 0.00 C ATOM 524 CG LEU A 32 -6.558 3.463 6.540 1.00 0.00 C ATOM 525 CD1 LEU A 32 -6.129 2.251 7.352 1.00 0.00 C ATOM 526 CD2 LEU A 32 -6.429 4.734 7.366 1.00 0.00 C ATOM 0 H LEU A 32 -6.748 3.159 3.028 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.788 5.398 4.851 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.791 2.625 4.722 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.684 3.716 5.532 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.605 3.337 6.264 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.730 2.190 8.259 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.273 1.347 6.760 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.077 2.346 7.619 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -7.025 4.640 8.274 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.384 4.890 7.633 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.786 5.584 6.784 1.00 0.00 H new ATOM 538 N ILE A 33 -4.392 5.037 2.676 1.00 0.00 N ATOM 539 CA ILE A 33 -3.212 5.674 2.107 1.00 0.00 C ATOM 540 C ILE A 33 -3.587 6.861 1.223 1.00 0.00 C ATOM 541 O ILE A 33 -2.934 7.904 1.262 1.00 0.00 O ATOM 542 CB ILE A 33 -2.364 4.676 1.292 1.00 0.00 C ATOM 543 CG1 ILE A 33 -3.226 3.935 0.266 1.00 0.00 C ATOM 544 CG2 ILE A 33 -1.674 3.691 2.224 1.00 0.00 C ATOM 545 CD1 ILE A 33 -2.886 4.277 -1.166 1.00 0.00 C ATOM 0 H ILE A 33 -4.763 4.263 2.125 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.619 6.034 2.948 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.603 5.235 0.748 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -3.109 2.861 0.412 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -4.275 4.169 0.448 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.078 2.991 1.638 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.025 4.234 2.911 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.424 3.141 2.792 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.535 3.716 -1.838 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.031 5.345 -1.329 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.846 4.017 -1.365 1.00 0.00 H new ATOM 557 N ALA A 34 -4.640 6.704 0.428 1.00 0.00 N ATOM 558 CA ALA A 34 -5.095 7.767 -0.461 1.00 0.00 C ATOM 559 C ALA A 34 -5.350 9.063 0.303 1.00 0.00 C ATOM 560 O ALA A 34 -5.313 10.150 -0.274 1.00 0.00 O ATOM 561 CB ALA A 34 -6.352 7.333 -1.201 1.00 0.00 C ATOM 0 H ALA A 34 -5.195 5.850 0.381 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.304 7.958 -1.186 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.681 8.136 -1.861 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -6.137 6.442 -1.792 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -7.139 7.110 -0.481 1.00 0.00 H new ATOM 567 N ASN A 35 -5.611 8.945 1.602 1.00 0.00 N ATOM 568 CA ASN A 35 -5.873 10.114 2.434 1.00 0.00 C ATOM 569 C ASN A 35 -4.576 10.710 2.982 1.00 0.00 C ATOM 570 O ASN A 35 -4.549 11.863 3.412 1.00 0.00 O ATOM 571 CB ASN A 35 -6.817 9.750 3.585 1.00 0.00 C ATOM 572 CG ASN A 35 -6.207 8.751 4.548 1.00 0.00 C ATOM 573 OD1 ASN A 35 -6.567 7.575 4.546 1.00 0.00 O ATOM 574 ND2 ASN A 35 -5.286 9.216 5.384 1.00 0.00 N ATOM 0 H ASN A 35 -5.647 8.055 2.099 1.00 0.00 H new ATOM 0 HA ASN A 35 -6.351 10.868 1.808 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -7.086 10.655 4.129 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -7.740 9.338 3.176 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -4.847 8.590 6.059 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -5.017 10.199 5.351 1.00 0.00 H new ATOM 581 N ALA A 36 -3.500 9.924 2.961 1.00 0.00 N ATOM 582 CA ALA A 36 -2.207 10.388 3.455 1.00 0.00 C ATOM 583 C ALA A 36 -1.722 11.601 2.669 1.00 0.00 C ATOM 584 O ALA A 36 -1.556 11.536 1.451 1.00 0.00 O ATOM 585 CB ALA A 36 -1.178 9.271 3.381 1.00 0.00 C ATOM 0 H ALA A 36 -3.499 8.967 2.608 1.00 0.00 H new ATOM 0 HA ALA A 36 -2.333 10.684 4.496 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -0.220 9.634 3.753 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.509 8.430 3.991 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.066 8.947 2.346 1.00 0.00 H new ATOM 591 N LYS A 37 -1.493 12.702 3.370 1.00 0.00 N ATOM 592 CA LYS A 37 -1.022 13.923 2.730 1.00 0.00 C ATOM 593 C LYS A 37 0.369 13.725 2.142 1.00 0.00 C ATOM 594 O LYS A 37 0.729 14.354 1.145 1.00 0.00 O ATOM 595 CB LYS A 37 -0.999 15.082 3.741 1.00 0.00 C ATOM 596 CG LYS A 37 -0.402 14.702 5.084 1.00 0.00 C ATOM 597 CD LYS A 37 0.616 15.730 5.554 1.00 0.00 C ATOM 598 CE LYS A 37 0.018 16.675 6.582 1.00 0.00 C ATOM 599 NZ LYS A 37 -1.069 17.513 6.002 1.00 0.00 N ATOM 0 H LYS A 37 -1.625 12.776 4.379 1.00 0.00 H new ATOM 0 HA LYS A 37 -1.711 14.167 1.921 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -0.429 15.910 3.320 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -2.017 15.441 3.893 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -1.197 14.612 5.824 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.075 13.725 5.008 1.00 0.00 H new ATOM 0 HD2 LYS A 37 1.478 15.220 5.985 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.978 16.302 4.700 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -0.376 16.098 7.419 1.00 0.00 H new ATOM 0 HE3 LYS A 37 0.801 17.321 6.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -1.427 18.167 6.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -0.696 18.057 5.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -1.843 16.900 5.676 1.00 0.00 H new ATOM 613 N THR A 38 1.146 12.839 2.757 1.00 0.00 N ATOM 614 CA THR A 38 2.496 12.550 2.288 1.00 0.00 C ATOM 615 C THR A 38 2.518 11.289 1.438 1.00 0.00 C ATOM 616 O THR A 38 1.839 10.310 1.744 1.00 0.00 O ATOM 617 CB THR A 38 3.449 12.395 3.476 1.00 0.00 C ATOM 618 OG1 THR A 38 2.876 11.560 4.467 1.00 0.00 O ATOM 619 CG2 THR A 38 3.814 13.712 4.131 1.00 0.00 C ATOM 0 H THR A 38 0.864 12.309 3.581 1.00 0.00 H new ATOM 0 HA THR A 38 2.826 13.387 1.672 1.00 0.00 H new ATOM 0 HB THR A 38 4.357 11.955 3.065 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.498 11.470 5.219 1.00 0.00 H new ATOM 0 HG21 THR A 38 4.491 13.528 4.965 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.303 14.358 3.402 1.00 0.00 H new ATOM 0 HG23 THR A 38 2.910 14.199 4.498 1.00 0.00 H new ATOM 627 N VAL A 39 3.302 11.320 0.366 1.00 0.00 N ATOM 628 CA VAL A 39 3.412 10.180 -0.534 1.00 0.00 C ATOM 629 C VAL A 39 4.176 9.029 0.119 1.00 0.00 C ATOM 630 O VAL A 39 3.811 7.864 -0.036 1.00 0.00 O ATOM 631 CB VAL A 39 4.113 10.570 -1.850 1.00 0.00 C ATOM 632 CG1 VAL A 39 3.305 11.625 -2.591 1.00 0.00 C ATOM 633 CG2 VAL A 39 5.526 11.065 -1.579 1.00 0.00 C ATOM 0 H VAL A 39 3.871 12.124 0.100 1.00 0.00 H new ATOM 0 HA VAL A 39 2.396 9.854 -0.755 1.00 0.00 H new ATOM 0 HB VAL A 39 4.179 9.684 -2.481 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.814 11.889 -3.518 1.00 0.00 H new ATOM 0 HG12 VAL A 39 2.315 11.230 -2.821 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.206 12.513 -1.966 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.004 11.335 -2.521 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.487 11.938 -0.928 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.101 10.276 -1.094 1.00 0.00 H new ATOM 643 N GLU A 40 5.236 9.365 0.848 1.00 0.00 N ATOM 644 CA GLU A 40 6.053 8.359 1.523 1.00 0.00 C ATOM 645 C GLU A 40 5.197 7.463 2.416 1.00 0.00 C ATOM 646 O GLU A 40 5.558 6.319 2.694 1.00 0.00 O ATOM 647 CB GLU A 40 7.143 9.034 2.356 1.00 0.00 C ATOM 648 CG GLU A 40 8.120 9.854 1.529 1.00 0.00 C ATOM 649 CD GLU A 40 8.079 11.331 1.872 1.00 0.00 C ATOM 650 OE1 GLU A 40 8.495 11.687 2.988 1.00 0.00 O ATOM 651 OE2 GLU A 40 7.629 12.126 1.021 1.00 0.00 O ATOM 0 H GLU A 40 5.550 10.325 0.987 1.00 0.00 H new ATOM 0 HA GLU A 40 6.519 7.737 0.759 1.00 0.00 H new ATOM 0 HB2 GLU A 40 6.674 9.682 3.097 1.00 0.00 H new ATOM 0 HB3 GLU A 40 7.695 8.271 2.904 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.130 9.476 1.687 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.893 9.724 0.471 1.00 0.00 H new ATOM 658 N GLY A 41 4.060 7.989 2.859 1.00 0.00 N ATOM 659 CA GLY A 41 3.169 7.223 3.711 1.00 0.00 C ATOM 660 C GLY A 41 2.376 6.205 2.924 1.00 0.00 C ATOM 661 O GLY A 41 2.135 5.090 3.390 1.00 0.00 O ATOM 0 H GLY A 41 3.739 8.933 2.643 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.750 6.715 4.481 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.485 7.900 4.223 1.00 0.00 H new ATOM 665 N VAL A 42 1.972 6.595 1.723 1.00 0.00 N ATOM 666 CA VAL A 42 1.202 5.725 0.851 1.00 0.00 C ATOM 667 C VAL A 42 2.084 4.647 0.230 1.00 0.00 C ATOM 668 O VAL A 42 1.725 3.470 0.216 1.00 0.00 O ATOM 669 CB VAL A 42 0.530 6.531 -0.274 1.00 0.00 C ATOM 670 CG1 VAL A 42 -0.161 5.605 -1.263 1.00 0.00 C ATOM 671 CG2 VAL A 42 -0.452 7.536 0.303 1.00 0.00 C ATOM 0 H VAL A 42 2.168 7.516 1.330 1.00 0.00 H new ATOM 0 HA VAL A 42 0.436 5.251 1.465 1.00 0.00 H new ATOM 0 HB VAL A 42 1.304 7.080 -0.811 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.629 6.197 -2.050 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.573 4.931 -1.704 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.923 5.023 -0.745 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.917 8.097 -0.508 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.221 7.010 0.868 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.077 8.224 0.963 1.00 0.00 H new ATOM 681 N TRP A 43 3.235 5.057 -0.289 1.00 0.00 N ATOM 682 CA TRP A 43 4.157 4.121 -0.920 1.00 0.00 C ATOM 683 C TRP A 43 4.664 3.101 0.095 1.00 0.00 C ATOM 684 O TRP A 43 4.975 1.964 -0.257 1.00 0.00 O ATOM 685 CB TRP A 43 5.331 4.875 -1.560 1.00 0.00 C ATOM 686 CG TRP A 43 4.968 5.545 -2.855 1.00 0.00 C ATOM 687 CD1 TRP A 43 4.364 6.762 -3.011 1.00 0.00 C ATOM 688 CD2 TRP A 43 5.176 5.032 -4.178 1.00 0.00 C ATOM 689 NE1 TRP A 43 4.198 7.041 -4.346 1.00 0.00 N ATOM 690 CE2 TRP A 43 4.686 5.995 -5.081 1.00 0.00 C ATOM 691 CE3 TRP A 43 5.732 3.855 -4.688 1.00 0.00 C ATOM 692 CZ2 TRP A 43 4.736 5.819 -6.462 1.00 0.00 C ATOM 693 CZ3 TRP A 43 5.779 3.680 -6.059 1.00 0.00 C ATOM 694 CH2 TRP A 43 5.284 4.658 -6.931 1.00 0.00 C ATOM 0 H TRP A 43 3.551 6.027 -0.286 1.00 0.00 H new ATOM 0 HA TRP A 43 3.622 3.586 -1.705 1.00 0.00 H new ATOM 0 HB2 TRP A 43 5.697 5.626 -0.860 1.00 0.00 H new ATOM 0 HB3 TRP A 43 6.150 4.177 -1.736 1.00 0.00 H new ATOM 0 HD1 TRP A 43 4.061 7.410 -2.202 1.00 0.00 H new ATOM 0 HE1 TRP A 43 3.779 7.889 -4.727 1.00 0.00 H new ATOM 0 HE3 TRP A 43 6.118 3.096 -4.023 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 4.356 6.572 -7.137 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 6.205 2.774 -6.464 1.00 0.00 H new ATOM 0 HH2 TRP A 43 5.336 4.491 -7.997 1.00 0.00 H new ATOM 705 N THR A 44 4.731 3.511 1.359 1.00 0.00 N ATOM 706 CA THR A 44 5.185 2.623 2.423 1.00 0.00 C ATOM 707 C THR A 44 4.140 1.545 2.691 1.00 0.00 C ATOM 708 O THR A 44 4.428 0.347 2.615 1.00 0.00 O ATOM 709 CB THR A 44 5.459 3.418 3.702 1.00 0.00 C ATOM 710 OG1 THR A 44 4.475 4.419 3.891 1.00 0.00 O ATOM 711 CG2 THR A 44 6.811 4.097 3.708 1.00 0.00 C ATOM 0 H THR A 44 4.478 4.449 1.670 1.00 0.00 H new ATOM 0 HA THR A 44 6.111 2.145 2.104 1.00 0.00 H new ATOM 0 HB THR A 44 5.436 2.684 4.508 1.00 0.00 H new ATOM 0 HG1 THR A 44 4.761 5.246 3.450 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.940 4.642 4.643 1.00 0.00 H new ATOM 0 HG22 THR A 44 7.596 3.346 3.615 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.873 4.792 2.871 1.00 0.00 H new ATOM 719 N LEU A 45 2.918 1.980 2.990 1.00 0.00 N ATOM 720 CA LEU A 45 1.824 1.053 3.252 1.00 0.00 C ATOM 721 C LEU A 45 1.659 0.094 2.079 1.00 0.00 C ATOM 722 O LEU A 45 1.331 -1.079 2.261 1.00 0.00 O ATOM 723 CB LEU A 45 0.521 1.818 3.498 1.00 0.00 C ATOM 724 CG LEU A 45 -0.183 1.486 4.818 1.00 0.00 C ATOM 725 CD1 LEU A 45 0.030 2.597 5.836 1.00 0.00 C ATOM 726 CD2 LEU A 45 -1.667 1.235 4.593 1.00 0.00 C ATOM 0 H LEU A 45 2.663 2.965 3.056 1.00 0.00 H new ATOM 0 HA LEU A 45 2.061 0.478 4.147 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.734 2.887 3.476 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.165 1.613 2.676 1.00 0.00 H new ATOM 0 HG LEU A 45 0.257 0.571 5.216 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.478 2.341 6.766 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.097 2.716 6.026 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.376 3.531 5.446 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.145 1.001 5.544 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.126 2.126 4.166 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.794 0.397 3.908 1.00 0.00 H new ATOM 737 N LYS A 46 1.905 0.603 0.876 1.00 0.00 N ATOM 738 CA LYS A 46 1.804 -0.202 -0.334 1.00 0.00 C ATOM 739 C LYS A 46 2.788 -1.364 -0.272 1.00 0.00 C ATOM 740 O LYS A 46 2.443 -2.505 -0.588 1.00 0.00 O ATOM 741 CB LYS A 46 2.080 0.664 -1.567 1.00 0.00 C ATOM 742 CG LYS A 46 2.132 -0.116 -2.872 1.00 0.00 C ATOM 743 CD LYS A 46 3.389 0.206 -3.664 1.00 0.00 C ATOM 744 CE LYS A 46 3.742 -0.913 -4.631 1.00 0.00 C ATOM 745 NZ LYS A 46 5.146 -0.806 -5.115 1.00 0.00 N ATOM 0 H LYS A 46 2.177 1.573 0.714 1.00 0.00 H new ATOM 0 HA LYS A 46 0.793 -0.603 -0.409 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.306 1.428 -1.643 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.028 1.184 -1.428 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.098 -1.185 -2.660 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.253 0.118 -3.472 1.00 0.00 H new ATOM 0 HD2 LYS A 46 3.244 1.134 -4.217 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.220 0.371 -2.978 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.600 -1.876 -4.140 1.00 0.00 H new ATOM 0 HE3 LYS A 46 3.061 -0.886 -5.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.379 -1.640 -5.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.250 0.053 -5.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.791 -0.756 -4.301 1.00 0.00 H new ATOM 759 N ASP A 47 4.013 -1.067 0.153 1.00 0.00 N ATOM 760 CA ASP A 47 5.045 -2.087 0.275 1.00 0.00 C ATOM 761 C ASP A 47 4.558 -3.219 1.170 1.00 0.00 C ATOM 762 O ASP A 47 4.876 -4.386 0.944 1.00 0.00 O ATOM 763 CB ASP A 47 6.333 -1.482 0.842 1.00 0.00 C ATOM 764 CG ASP A 47 7.546 -1.831 0.010 1.00 0.00 C ATOM 765 OD1 ASP A 47 7.717 -1.232 -1.073 1.00 0.00 O ATOM 766 OD2 ASP A 47 8.325 -2.703 0.441 1.00 0.00 O ATOM 0 H ASP A 47 4.313 -0.129 0.418 1.00 0.00 H new ATOM 0 HA ASP A 47 5.258 -2.487 -0.717 1.00 0.00 H new ATOM 0 HB2 ASP A 47 6.230 -0.398 0.894 1.00 0.00 H new ATOM 0 HB3 ASP A 47 6.480 -1.837 1.862 1.00 0.00 H new ATOM 771 N GLU A 48 3.768 -2.863 2.180 1.00 0.00 N ATOM 772 CA GLU A 48 3.219 -3.852 3.099 1.00 0.00 C ATOM 773 C GLU A 48 2.211 -4.740 2.377 1.00 0.00 C ATOM 774 O GLU A 48 2.134 -5.943 2.626 1.00 0.00 O ATOM 775 CB GLU A 48 2.553 -3.161 4.291 1.00 0.00 C ATOM 776 CG GLU A 48 3.466 -3.016 5.497 1.00 0.00 C ATOM 777 CD GLU A 48 2.713 -2.642 6.755 1.00 0.00 C ATOM 778 OE1 GLU A 48 1.951 -3.490 7.261 1.00 0.00 O ATOM 779 OE2 GLU A 48 2.883 -1.505 7.241 1.00 0.00 O ATOM 0 H GLU A 48 3.496 -1.901 2.381 1.00 0.00 H new ATOM 0 HA GLU A 48 4.035 -4.473 3.468 1.00 0.00 H new ATOM 0 HB2 GLU A 48 2.211 -2.173 3.983 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.668 -3.728 4.581 1.00 0.00 H new ATOM 0 HG2 GLU A 48 3.997 -3.954 5.661 1.00 0.00 H new ATOM 0 HG3 GLU A 48 4.219 -2.256 5.289 1.00 0.00 H new ATOM 786 N ILE A 49 1.451 -4.135 1.470 1.00 0.00 N ATOM 787 CA ILE A 49 0.451 -4.857 0.689 1.00 0.00 C ATOM 788 C ILE A 49 1.099 -5.979 -0.114 1.00 0.00 C ATOM 789 O ILE A 49 0.487 -7.020 -0.351 1.00 0.00 O ATOM 790 CB ILE A 49 -0.280 -3.911 -0.283 1.00 0.00 C ATOM 791 CG1 ILE A 49 -0.765 -2.658 0.451 1.00 0.00 C ATOM 792 CG2 ILE A 49 -1.440 -4.631 -0.946 1.00 0.00 C ATOM 793 CD1 ILE A 49 -1.599 -2.956 1.679 1.00 0.00 C ATOM 0 H ILE A 49 1.509 -3.139 1.256 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.267 -5.278 1.393 1.00 0.00 H new ATOM 0 HB ILE A 49 0.419 -3.600 -1.059 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.099 -2.063 0.746 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.352 -2.049 -0.237 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.947 -3.951 -1.630 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.065 -5.491 -1.501 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.142 -4.969 -0.184 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.906 -2.020 2.146 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.483 -3.524 1.389 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.009 -3.538 2.387 1.00 0.00 H new ATOM 805 N LYS A 50 2.343 -5.757 -0.530 1.00 0.00 N ATOM 806 CA LYS A 50 3.076 -6.749 -1.309 1.00 0.00 C ATOM 807 C LYS A 50 3.810 -7.735 -0.403 1.00 0.00 C ATOM 808 O LYS A 50 4.106 -8.859 -0.808 1.00 0.00 O ATOM 809 CB LYS A 50 4.075 -6.057 -2.239 1.00 0.00 C ATOM 810 CG LYS A 50 4.695 -6.991 -3.268 1.00 0.00 C ATOM 811 CD LYS A 50 6.157 -6.663 -3.508 1.00 0.00 C ATOM 812 CE LYS A 50 6.371 -6.002 -4.861 1.00 0.00 C ATOM 813 NZ LYS A 50 6.589 -4.536 -4.734 1.00 0.00 N ATOM 0 H LYS A 50 2.863 -4.900 -0.341 1.00 0.00 H new ATOM 0 HA LYS A 50 2.353 -7.306 -1.904 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.571 -5.241 -2.758 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.869 -5.612 -1.639 1.00 0.00 H new ATOM 0 HG2 LYS A 50 4.604 -8.022 -2.926 1.00 0.00 H new ATOM 0 HG3 LYS A 50 4.146 -6.916 -4.206 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.516 -6.002 -2.719 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.749 -7.577 -3.452 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.231 -6.455 -5.355 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.505 -6.187 -5.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 6.731 -4.123 -5.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 5.758 -4.099 -4.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 7.431 -4.360 -4.149 1.00 0.00 H new ATOM 827 N THR A 51 4.108 -7.308 0.822 1.00 0.00 N ATOM 828 CA THR A 51 4.813 -8.161 1.775 1.00 0.00 C ATOM 829 C THR A 51 3.842 -9.016 2.575 1.00 0.00 C ATOM 830 O THR A 51 4.131 -10.171 2.884 1.00 0.00 O ATOM 831 CB THR A 51 5.661 -7.311 2.722 1.00 0.00 C ATOM 832 OG1 THR A 51 6.169 -6.171 2.055 1.00 0.00 O ATOM 833 CG2 THR A 51 6.834 -8.056 3.299 1.00 0.00 C ATOM 0 H THR A 51 3.873 -6.381 1.177 1.00 0.00 H new ATOM 0 HA THR A 51 5.465 -8.826 1.208 1.00 0.00 H new ATOM 0 HB THR A 51 4.990 -7.029 3.534 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.444 -5.529 1.906 1.00 0.00 H new ATOM 0 HG21 THR A 51 7.394 -7.396 3.962 1.00 0.00 H new ATOM 0 HG22 THR A 51 6.476 -8.918 3.862 1.00 0.00 H new ATOM 0 HG23 THR A 51 7.483 -8.395 2.491 1.00 0.00 H new ATOM 841 N PHE A 52 2.690 -8.446 2.917 1.00 0.00 N ATOM 842 CA PHE A 52 1.682 -9.166 3.690 1.00 0.00 C ATOM 843 C PHE A 52 0.789 -10.010 2.782 1.00 0.00 C ATOM 844 O PHE A 52 -0.122 -10.698 3.256 1.00 0.00 O ATOM 845 CB PHE A 52 0.863 -8.176 4.534 1.00 0.00 C ATOM 846 CG PHE A 52 -0.528 -7.911 4.024 1.00 0.00 C ATOM 847 CD1 PHE A 52 -1.553 -8.801 4.305 1.00 0.00 C ATOM 848 CD2 PHE A 52 -0.809 -6.784 3.277 1.00 0.00 C ATOM 849 CE1 PHE A 52 -2.831 -8.570 3.844 1.00 0.00 C ATOM 850 CE2 PHE A 52 -2.088 -6.544 2.810 1.00 0.00 C ATOM 851 CZ PHE A 52 -3.100 -7.438 3.092 1.00 0.00 C ATOM 0 H PHE A 52 2.431 -7.490 2.672 1.00 0.00 H new ATOM 0 HA PHE A 52 2.185 -9.855 4.368 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.795 -8.559 5.552 1.00 0.00 H new ATOM 0 HB3 PHE A 52 1.403 -7.230 4.584 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.348 -9.685 4.891 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.020 -6.081 3.055 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.622 -9.270 4.069 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.294 -5.659 2.226 1.00 0.00 H new ATOM 0 HZ PHE A 52 -4.100 -7.256 2.727 1.00 0.00 H new ATOM 861 N THR A 53 1.070 -9.980 1.492 1.00 0.00 N ATOM 862 CA THR A 53 0.303 -10.755 0.524 1.00 0.00 C ATOM 863 C THR A 53 0.747 -12.214 0.530 1.00 0.00 C ATOM 864 O THR A 53 1.838 -12.541 0.994 1.00 0.00 O ATOM 865 CB THR A 53 0.466 -10.145 -0.882 1.00 0.00 C ATOM 866 OG1 THR A 53 -0.514 -9.148 -1.102 1.00 0.00 O ATOM 867 CG2 THR A 53 0.352 -11.149 -2.014 1.00 0.00 C ATOM 0 H THR A 53 1.825 -9.427 1.086 1.00 0.00 H new ATOM 0 HA THR A 53 -0.750 -10.721 0.803 1.00 0.00 H new ATOM 0 HB THR A 53 1.477 -9.737 -0.894 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.324 -8.372 -0.535 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.479 -10.637 -2.968 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.125 -11.910 -1.905 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.630 -11.622 -1.983 1.00 0.00 H new ATOM 875 N VAL A 54 -0.114 -13.093 0.018 1.00 0.00 N ATOM 876 CA VAL A 54 0.187 -14.518 -0.035 1.00 0.00 C ATOM 877 C VAL A 54 0.059 -15.053 -1.458 1.00 0.00 C ATOM 878 O VAL A 54 -0.723 -14.539 -2.259 1.00 0.00 O ATOM 879 CB VAL A 54 -0.743 -15.317 0.887 1.00 0.00 C ATOM 880 CG1 VAL A 54 -0.484 -14.972 2.350 1.00 0.00 C ATOM 881 CG2 VAL A 54 -2.201 -15.073 0.528 1.00 0.00 C ATOM 0 H VAL A 54 -1.025 -12.840 -0.365 1.00 0.00 H new ATOM 0 HA VAL A 54 1.216 -14.640 0.304 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.530 -16.376 0.744 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.155 -15.551 2.985 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.549 -15.210 2.603 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.661 -13.908 2.510 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.841 -15.650 1.195 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.429 -14.012 0.633 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.379 -15.382 -0.502 1.00 0.00 H new ATOM 891 N THR A 55 0.830 -16.090 -1.766 1.00 0.00 N ATOM 892 CA THR A 55 0.801 -16.702 -3.087 1.00 0.00 C ATOM 893 C THR A 55 -0.372 -17.662 -3.222 1.00 0.00 C ATOM 894 O THR A 55 -0.890 -18.170 -2.218 1.00 0.00 O ATOM 895 CB THR A 55 2.114 -17.434 -3.367 1.00 0.00 C ATOM 896 OG1 THR A 55 3.194 -16.772 -2.740 1.00 0.00 O ATOM 897 CG2 THR A 55 2.438 -17.548 -4.841 1.00 0.00 C ATOM 0 H THR A 55 1.484 -16.525 -1.116 1.00 0.00 H new ATOM 0 HA THR A 55 0.677 -15.906 -3.821 1.00 0.00 H new ATOM 0 HB THR A 55 1.976 -18.439 -2.967 1.00 0.00 H new ATOM 0 HG1 THR A 55 4.026 -17.254 -2.928 1.00 0.00 H new ATOM 0 HG21 THR A 55 3.382 -18.078 -4.966 1.00 0.00 H new ATOM 0 HG22 THR A 55 1.644 -18.097 -5.347 1.00 0.00 H new ATOM 0 HG23 THR A 55 2.522 -16.551 -5.273 1.00 0.00 H new ATOM 905 N GLU A 56 -0.789 -17.920 -4.454 1.00 0.00 N ATOM 906 CA GLU A 56 -1.903 -18.825 -4.714 1.00 0.00 C ATOM 907 C GLU A 56 -1.553 -19.811 -5.825 1.00 0.00 C ATOM 908 O GLU A 56 -2.490 -20.338 -6.462 1.00 0.00 O ATOM 909 CB GLU A 56 -3.152 -18.029 -5.102 1.00 0.00 C ATOM 910 CG GLU A 56 -2.930 -17.065 -6.254 1.00 0.00 C ATOM 911 CD GLU A 56 -3.524 -15.695 -5.989 1.00 0.00 C ATOM 912 OE1 GLU A 56 -2.940 -14.941 -5.184 1.00 0.00 O ATOM 913 OE2 GLU A 56 -4.572 -15.380 -6.588 1.00 0.00 O ATOM 914 OXT GLU A 56 -0.348 -20.057 -6.039 1.00 0.00 O ATOM 0 H GLU A 56 -0.372 -17.515 -5.292 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.104 -19.386 -3.802 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.946 -18.725 -5.371 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.499 -17.469 -4.234 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.860 -16.964 -6.438 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.371 -17.480 -7.160 1.00 0.00 H new TER 921 GLU A 56