USER MOD reduce.3.24.130724 H: found=0, std=0, add=482, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 482 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 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc=-0.00421 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.0111 USER MOD Single : A 32 THR OG1 : rot 90:sc= -0.808 USER MOD Single : A 38 THR OG1 : rot 168:sc= 1.13 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -162:sc= 0.0184 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -1.55 X(o=-1.5,f=-1.5) USER MOD Single : A 55 LYS NZ :NH3+ -157:sc= 0.201 (180deg=0.0863) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 167:sc= 0.293 USER MOD Single : A 62 MET CE :methyl -162:sc= 0 (180deg=-0.114) USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 23.838 -14.745 5.092 1.00 13.00 N ATOM 2 CA GLY A 1 25.148 -14.044 5.210 1.00 45.03 C ATOM 3 C GLY A 1 25.070 -12.815 6.093 1.00 41.03 C ATOM 4 O GLY A 1 25.422 -12.867 7.272 1.00 70.10 O ATOM 0 H1 GLY A 1 23.944 -15.578 4.478 1.00 13.00 H new ATOM 0 H2 GLY A 1 23.520 -15.048 6.035 1.00 13.00 H new ATOM 0 H3 GLY A 1 23.134 -14.099 4.680 1.00 13.00 H new ATOM 0 HA2 GLY A 1 25.890 -14.732 5.615 1.00 45.03 H new ATOM 0 HA3 GLY A 1 25.492 -13.753 4.217 1.00 45.03 H new ATOM 10 N SER A 2 24.611 -11.707 5.522 1.00 61.55 N ATOM 11 CA SER A 2 24.489 -10.457 6.266 1.00 62.34 C ATOM 12 C SER A 2 23.687 -9.430 5.476 1.00 72.15 C ATOM 13 O SER A 2 24.181 -8.854 4.506 1.00 23.13 O ATOM 14 CB SER A 2 25.875 -9.898 6.594 1.00 41.51 C ATOM 15 OG SER A 2 25.823 -9.032 7.715 1.00 63.13 O ATOM 0 H SER A 2 24.317 -11.648 4.547 1.00 61.55 H new ATOM 0 HA SER A 2 23.960 -10.666 7.196 1.00 62.34 H new ATOM 0 HB2 SER A 2 26.563 -10.719 6.796 1.00 41.51 H new ATOM 0 HB3 SER A 2 26.267 -9.359 5.732 1.00 41.51 H new ATOM 0 HG SER A 2 26.721 -8.689 7.906 1.00 63.13 H new ATOM 21 N GLY A 3 22.446 -9.205 5.896 1.00 5.02 N ATOM 22 CA GLY A 3 21.596 -8.245 5.216 1.00 31.33 C ATOM 23 C GLY A 3 20.558 -8.913 4.334 1.00 14.51 C ATOM 24 O GLY A 3 20.832 -9.236 3.179 1.00 12.24 O ATOM 0 H GLY A 3 22.014 -9.670 6.695 1.00 5.02 H new ATOM 0 HA2 GLY A 3 21.093 -7.621 5.955 1.00 31.33 H new ATOM 0 HA3 GLY A 3 22.214 -7.584 4.608 1.00 31.33 H new ATOM 28 N MET A 4 19.365 -9.119 4.881 1.00 51.55 N ATOM 29 CA MET A 4 18.283 -9.753 4.136 1.00 51.14 C ATOM 30 C MET A 4 17.236 -8.725 3.719 1.00 52.23 C ATOM 31 O MET A 4 17.160 -7.636 4.286 1.00 50.10 O ATOM 32 CB MET A 4 17.630 -10.849 4.980 1.00 11.03 C ATOM 33 CG MET A 4 18.367 -12.178 4.927 1.00 1.15 C ATOM 34 SD MET A 4 18.045 -13.091 3.406 1.00 64.35 S ATOM 35 CE MET A 4 18.135 -14.779 4.000 1.00 33.40 C ATOM 0 H MET A 4 19.123 -8.857 5.836 1.00 51.55 H new ATOM 0 HA MET A 4 18.706 -10.200 3.237 1.00 51.14 H new ATOM 0 HB2 MET A 4 17.575 -10.514 6.016 1.00 11.03 H new ATOM 0 HB3 MET A 4 16.606 -10.997 4.639 1.00 11.03 H new ATOM 0 HG2 MET A 4 19.438 -11.999 5.019 1.00 1.15 H new ATOM 0 HG3 MET A 4 18.072 -12.787 5.781 1.00 1.15 H new ATOM 0 HE1 MET A 4 17.957 -15.466 3.173 1.00 33.40 H new ATOM 0 HE2 MET A 4 19.124 -14.965 4.419 1.00 33.40 H new ATOM 0 HE3 MET A 4 17.379 -14.935 4.770 1.00 33.40 H new ATOM 45 N LYS A 5 16.430 -9.081 2.722 1.00 31.03 N ATOM 46 CA LYS A 5 15.387 -8.190 2.228 1.00 2.22 C ATOM 47 C LYS A 5 14.023 -8.592 2.778 1.00 51.41 C ATOM 48 O LYS A 5 13.695 -9.778 2.846 1.00 72.14 O ATOM 49 CB LYS A 5 15.359 -8.202 0.699 1.00 15.00 C ATOM 50 CG LYS A 5 15.345 -9.600 0.103 1.00 33.32 C ATOM 51 CD LYS A 5 16.746 -10.064 -0.263 1.00 71.24 C ATOM 52 CE LYS A 5 17.102 -9.688 -1.691 1.00 11.02 C ATOM 53 NZ LYS A 5 18.518 -10.014 -2.014 1.00 64.20 N ATOM 0 H LYS A 5 16.480 -9.979 2.242 1.00 31.03 H new ATOM 0 HA LYS A 5 15.613 -7.180 2.571 1.00 2.22 H new ATOM 0 HB2 LYS A 5 14.478 -7.661 0.356 1.00 15.00 H new ATOM 0 HB3 LYS A 5 16.230 -7.664 0.323 1.00 15.00 H new ATOM 0 HG2 LYS A 5 14.905 -10.296 0.817 1.00 33.32 H new ATOM 0 HG3 LYS A 5 14.713 -9.612 -0.785 1.00 33.32 H new ATOM 0 HD2 LYS A 5 17.468 -9.620 0.422 1.00 71.24 H new ATOM 0 HD3 LYS A 5 16.815 -11.145 -0.142 1.00 71.24 H new ATOM 0 HE2 LYS A 5 16.442 -10.214 -2.380 1.00 11.02 H new ATOM 0 HE3 LYS A 5 16.932 -8.622 -1.839 1.00 11.02 H new ATOM 0 HZ1 LYS A 5 18.721 -9.742 -2.997 1.00 64.20 H new ATOM 0 HZ2 LYS A 5 19.149 -9.492 -1.373 1.00 64.20 H new ATOM 0 HZ3 LYS A 5 18.674 -11.036 -1.898 1.00 64.20 H new ATOM 67 N GLU A 6 13.230 -7.599 3.166 1.00 3.51 N ATOM 68 CA GLU A 6 11.900 -7.850 3.709 1.00 50.31 C ATOM 69 C GLU A 6 10.850 -7.838 2.603 1.00 74.12 C ATOM 70 O GLU A 6 11.069 -7.272 1.532 1.00 31.42 O ATOM 71 CB GLU A 6 11.553 -6.803 4.770 1.00 21.23 C ATOM 72 CG GLU A 6 11.526 -5.381 4.233 1.00 4.32 C ATOM 73 CD GLU A 6 10.116 -4.871 4.004 1.00 5.03 C ATOM 74 OE1 GLU A 6 9.499 -4.377 4.971 1.00 64.32 O ATOM 75 OE2 GLU A 6 9.630 -4.965 2.858 1.00 25.31 O ATOM 0 H GLU A 6 13.485 -6.613 3.115 1.00 3.51 H new ATOM 0 HA GLU A 6 11.904 -8.837 4.171 1.00 50.31 H new ATOM 0 HB2 GLU A 6 10.579 -7.040 5.198 1.00 21.23 H new ATOM 0 HB3 GLU A 6 12.280 -6.863 5.580 1.00 21.23 H new ATOM 0 HG2 GLU A 6 12.037 -4.722 4.934 1.00 4.32 H new ATOM 0 HG3 GLU A 6 12.080 -5.340 3.295 1.00 4.32 H new ATOM 82 N PHE A 7 9.709 -8.466 2.870 1.00 12.34 N ATOM 83 CA PHE A 7 8.624 -8.527 1.896 1.00 72.33 C ATOM 84 C PHE A 7 7.291 -8.156 2.541 1.00 64.42 C ATOM 85 O PHE A 7 7.181 -8.088 3.766 1.00 12.34 O ATOM 86 CB PHE A 7 8.530 -9.926 1.274 1.00 10.32 C ATOM 87 CG PHE A 7 9.068 -11.023 2.151 1.00 63.12 C ATOM 88 CD1 PHE A 7 8.496 -11.284 3.386 1.00 51.23 C ATOM 89 CD2 PHE A 7 10.145 -11.791 1.739 1.00 14.34 C ATOM 90 CE1 PHE A 7 8.988 -12.290 4.195 1.00 21.01 C ATOM 91 CE2 PHE A 7 10.642 -12.799 2.543 1.00 1.23 C ATOM 92 CZ PHE A 7 10.062 -13.050 3.772 1.00 33.20 C ATOM 0 H PHE A 7 9.512 -8.939 3.752 1.00 12.34 H new ATOM 0 HA PHE A 7 8.844 -7.806 1.109 1.00 72.33 H new ATOM 0 HB2 PHE A 7 7.487 -10.140 1.041 1.00 10.32 H new ATOM 0 HB3 PHE A 7 9.074 -9.930 0.330 1.00 10.32 H new ATOM 0 HD1 PHE A 7 7.655 -10.694 3.720 1.00 51.23 H new ATOM 0 HD2 PHE A 7 10.601 -11.600 0.779 1.00 14.34 H new ATOM 0 HE1 PHE A 7 8.534 -12.482 5.156 1.00 21.01 H new ATOM 0 HE2 PHE A 7 11.483 -13.390 2.211 1.00 1.23 H new ATOM 0 HZ PHE A 7 10.447 -13.839 4.401 1.00 33.20 H new ATOM 102 N PRO A 8 6.257 -7.909 1.721 1.00 43.45 N ATOM 103 CA PRO A 8 4.929 -7.543 2.203 1.00 73.54 C ATOM 104 C PRO A 8 4.062 -8.765 2.482 1.00 53.23 C ATOM 105 O PRO A 8 4.559 -9.890 2.536 1.00 60.40 O ATOM 106 CB PRO A 8 4.370 -6.753 1.026 1.00 63.11 C ATOM 107 CG PRO A 8 4.948 -7.427 -0.173 1.00 22.45 C ATOM 108 CD PRO A 8 6.297 -7.965 0.246 1.00 2.34 C ATOM 0 HA PRO A 8 4.955 -6.996 3.145 1.00 73.54 H new ATOM 0 HB2 PRO A 8 3.280 -6.778 1.011 1.00 63.11 H new ATOM 0 HB3 PRO A 8 4.664 -5.705 1.074 1.00 63.11 H new ATOM 0 HG2 PRO A 8 4.299 -8.232 -0.516 1.00 22.45 H new ATOM 0 HG3 PRO A 8 5.050 -6.725 -1.001 1.00 22.45 H new ATOM 0 HD2 PRO A 8 6.450 -8.983 -0.111 1.00 2.34 H new ATOM 0 HD3 PRO A 8 7.111 -7.361 -0.155 1.00 2.34 H new ATOM 116 N CYS A 9 2.764 -8.540 2.648 1.00 73.50 N ATOM 117 CA CYS A 9 1.832 -9.629 2.908 1.00 71.31 C ATOM 118 C CYS A 9 0.980 -9.916 1.676 1.00 50.22 C ATOM 119 O CYS A 9 0.535 -11.044 1.469 1.00 63.45 O ATOM 120 CB CYS A 9 0.933 -9.299 4.105 1.00 35.35 C ATOM 121 SG CYS A 9 -0.248 -7.939 3.816 1.00 61.45 S ATOM 0 H CYS A 9 2.334 -7.616 2.607 1.00 73.50 H new ATOM 0 HA CYS A 9 2.413 -10.520 3.144 1.00 71.31 H new ATOM 0 HB2 CYS A 9 0.376 -10.194 4.382 1.00 35.35 H new ATOM 0 HB3 CYS A 9 1.563 -9.040 4.956 1.00 35.35 H new ATOM 126 N TRP A 10 0.756 -8.889 0.861 1.00 35.33 N ATOM 127 CA TRP A 10 -0.047 -9.033 -0.346 1.00 21.04 C ATOM 128 C TRP A 10 0.664 -9.899 -1.378 1.00 44.23 C ATOM 129 O TRP A 10 0.024 -10.529 -2.220 1.00 71.43 O ATOM 130 CB TRP A 10 -0.366 -7.661 -0.943 1.00 52.13 C ATOM 131 CG TRP A 10 0.823 -6.755 -1.064 1.00 25.45 C ATOM 132 CD1 TRP A 10 1.291 -5.881 -0.125 1.00 32.30 C ATOM 133 CD2 TRP A 10 1.685 -6.625 -2.197 1.00 64.51 C ATOM 134 NE1 TRP A 10 2.392 -5.216 -0.606 1.00 32.22 N ATOM 135 CE2 TRP A 10 2.655 -5.657 -1.877 1.00 35.24 C ATOM 136 CE3 TRP A 10 1.730 -7.235 -3.450 1.00 40.54 C ATOM 137 CZ2 TRP A 10 3.658 -5.286 -2.768 1.00 5.42 C ATOM 138 CZ3 TRP A 10 2.725 -6.867 -4.336 1.00 23.13 C ATOM 139 CH2 TRP A 10 3.678 -5.900 -3.991 1.00 22.11 C ATOM 0 H TRP A 10 1.120 -7.949 1.016 1.00 35.33 H new ATOM 0 HA TRP A 10 -0.980 -9.525 -0.070 1.00 21.04 H new ATOM 0 HB2 TRP A 10 -0.806 -7.800 -1.931 1.00 52.13 H new ATOM 0 HB3 TRP A 10 -1.119 -7.174 -0.324 1.00 52.13 H new ATOM 0 HD1 TRP A 10 0.858 -5.734 0.854 1.00 32.30 H new ATOM 0 HE1 TRP A 10 2.927 -4.510 -0.100 1.00 32.22 H new ATOM 0 HE3 TRP A 10 1.000 -7.982 -3.724 1.00 40.54 H new ATOM 0 HZ2 TRP A 10 4.394 -4.541 -2.504 1.00 5.42 H new ATOM 0 HZ3 TRP A 10 2.768 -7.332 -5.310 1.00 23.13 H new ATOM 0 HH2 TRP A 10 4.444 -5.634 -4.704 1.00 22.11 H new ATOM 150 N LEU A 11 1.989 -9.928 -1.309 1.00 50.21 N ATOM 151 CA LEU A 11 2.781 -10.719 -2.240 1.00 53.45 C ATOM 152 C LEU A 11 2.628 -12.213 -1.960 1.00 25.11 C ATOM 153 O LEU A 11 2.936 -13.047 -2.813 1.00 5.44 O ATOM 154 CB LEU A 11 4.250 -10.308 -2.163 1.00 42.15 C ATOM 155 CG LEU A 11 4.607 -9.072 -2.989 1.00 3.45 C ATOM 156 CD1 LEU A 11 6.054 -8.664 -2.749 1.00 40.54 C ATOM 157 CD2 LEU A 11 4.363 -9.336 -4.468 1.00 3.13 C ATOM 0 H LEU A 11 2.536 -9.414 -0.619 1.00 50.21 H new ATOM 0 HA LEU A 11 2.414 -10.528 -3.248 1.00 53.45 H new ATOM 0 HB2 LEU A 11 4.507 -10.119 -1.121 1.00 42.15 H new ATOM 0 HB3 LEU A 11 4.866 -11.143 -2.497 1.00 42.15 H new ATOM 0 HG LEU A 11 3.965 -8.249 -2.673 1.00 3.45 H new ATOM 0 HD11 LEU A 11 6.287 -7.783 -3.346 1.00 40.54 H new ATOM 0 HD12 LEU A 11 6.197 -8.435 -1.693 1.00 40.54 H new ATOM 0 HD13 LEU A 11 6.715 -9.482 -3.036 1.00 40.54 H new ATOM 0 HD21 LEU A 11 4.622 -8.447 -5.044 1.00 3.13 H new ATOM 0 HD22 LEU A 11 4.981 -10.173 -4.795 1.00 3.13 H new ATOM 0 HD23 LEU A 11 3.312 -9.578 -4.626 1.00 3.13 H new ATOM 169 N VAL A 12 2.148 -12.546 -0.765 1.00 72.05 N ATOM 170 CA VAL A 12 1.952 -13.940 -0.382 1.00 61.41 C ATOM 171 C VAL A 12 0.554 -14.173 0.198 1.00 70.23 C ATOM 172 O VAL A 12 0.232 -15.281 0.626 1.00 21.03 O ATOM 173 CB VAL A 12 3.002 -14.392 0.650 1.00 12.31 C ATOM 174 CG1 VAL A 12 4.343 -14.639 -0.023 1.00 64.41 C ATOM 175 CG2 VAL A 12 3.137 -13.362 1.764 1.00 31.11 C ATOM 0 H VAL A 12 1.888 -11.870 -0.046 1.00 72.05 H new ATOM 0 HA VAL A 12 2.064 -14.530 -1.292 1.00 61.41 H new ATOM 0 HB VAL A 12 2.667 -15.330 1.093 1.00 12.31 H new ATOM 0 HG11 VAL A 12 5.071 -14.957 0.723 1.00 64.41 H new ATOM 0 HG12 VAL A 12 4.233 -15.417 -0.778 1.00 64.41 H new ATOM 0 HG13 VAL A 12 4.687 -13.720 -0.497 1.00 64.41 H new ATOM 0 HG21 VAL A 12 3.883 -13.699 2.483 1.00 31.11 H new ATOM 0 HG22 VAL A 12 3.447 -12.407 1.341 1.00 31.11 H new ATOM 0 HG23 VAL A 12 2.177 -13.242 2.267 1.00 31.11 H new ATOM 185 N GLU A 13 -0.273 -13.128 0.210 1.00 30.51 N ATOM 186 CA GLU A 13 -1.631 -13.231 0.739 1.00 62.23 C ATOM 187 C GLU A 13 -2.603 -12.408 -0.099 1.00 71.05 C ATOM 188 O GLU A 13 -2.192 -11.619 -0.949 1.00 13.44 O ATOM 189 CB GLU A 13 -1.681 -12.747 2.191 1.00 35.34 C ATOM 190 CG GLU A 13 -0.756 -13.507 3.130 1.00 12.21 C ATOM 191 CD GLU A 13 0.065 -12.589 4.013 1.00 22.13 C ATOM 192 OE1 GLU A 13 -0.464 -12.133 5.048 1.00 73.20 O ATOM 193 OE2 GLU A 13 1.237 -12.330 3.672 1.00 73.11 O ATOM 0 H GLU A 13 -0.026 -12.202 -0.140 1.00 30.51 H new ATOM 0 HA GLU A 13 -1.925 -14.280 0.698 1.00 62.23 H new ATOM 0 HB2 GLU A 13 -1.421 -11.689 2.219 1.00 35.34 H new ATOM 0 HB3 GLU A 13 -2.704 -12.834 2.557 1.00 35.34 H new ATOM 0 HG2 GLU A 13 -1.349 -14.173 3.757 1.00 12.21 H new ATOM 0 HG3 GLU A 13 -0.086 -14.135 2.543 1.00 12.21 H new ATOM 200 N GLU A 14 -3.895 -12.587 0.159 1.00 64.30 N ATOM 201 CA GLU A 14 -4.925 -11.847 -0.558 1.00 13.44 C ATOM 202 C GLU A 14 -5.167 -10.505 0.121 1.00 41.45 C ATOM 203 O GLU A 14 -5.438 -10.446 1.321 1.00 52.02 O ATOM 204 CB GLU A 14 -6.221 -12.665 -0.618 1.00 52.51 C ATOM 205 CG GLU A 14 -7.474 -11.832 -0.851 1.00 60.12 C ATOM 206 CD GLU A 14 -7.437 -11.076 -2.165 1.00 4.11 C ATOM 207 OE1 GLU A 14 -6.342 -10.621 -2.558 1.00 13.01 O ATOM 208 OE2 GLU A 14 -8.503 -10.937 -2.799 1.00 61.43 O ATOM 0 H GLU A 14 -4.252 -13.238 0.859 1.00 64.30 H new ATOM 0 HA GLU A 14 -4.588 -11.665 -1.578 1.00 13.44 H new ATOM 0 HB2 GLU A 14 -6.135 -13.403 -1.416 1.00 52.51 H new ATOM 0 HB3 GLU A 14 -6.333 -13.216 0.316 1.00 52.51 H new ATOM 0 HG2 GLU A 14 -8.347 -12.484 -0.836 1.00 60.12 H new ATOM 0 HG3 GLU A 14 -7.592 -11.123 -0.032 1.00 60.12 H new ATOM 215 N PHE A 15 -5.055 -9.429 -0.646 1.00 62.02 N ATOM 216 CA PHE A 15 -5.247 -8.088 -0.106 1.00 62.31 C ATOM 217 C PHE A 15 -6.511 -7.437 -0.652 1.00 64.22 C ATOM 218 O PHE A 15 -7.016 -7.815 -1.709 1.00 62.13 O ATOM 219 CB PHE A 15 -4.029 -7.214 -0.413 1.00 15.21 C ATOM 220 CG PHE A 15 -3.945 -6.765 -1.845 1.00 71.32 C ATOM 221 CD1 PHE A 15 -4.645 -5.649 -2.277 1.00 73.42 C ATOM 222 CD2 PHE A 15 -3.168 -7.458 -2.759 1.00 11.34 C ATOM 223 CE1 PHE A 15 -4.570 -5.233 -3.592 1.00 0.35 C ATOM 224 CE2 PHE A 15 -3.088 -7.047 -4.075 1.00 35.01 C ATOM 225 CZ PHE A 15 -3.791 -5.933 -4.492 1.00 31.13 C ATOM 0 H PHE A 15 -4.833 -9.457 -1.641 1.00 62.02 H new ATOM 0 HA PHE A 15 -5.361 -8.180 0.974 1.00 62.31 H new ATOM 0 HB2 PHE A 15 -4.053 -6.336 0.232 1.00 15.21 H new ATOM 0 HB3 PHE A 15 -3.124 -7.768 -0.163 1.00 15.21 H new ATOM 0 HD1 PHE A 15 -5.256 -5.098 -1.577 1.00 73.42 H new ATOM 0 HD2 PHE A 15 -2.618 -8.330 -2.438 1.00 11.34 H new ATOM 0 HE1 PHE A 15 -5.120 -4.362 -3.916 1.00 0.35 H new ATOM 0 HE2 PHE A 15 -2.477 -7.595 -4.777 1.00 35.01 H new ATOM 0 HZ PHE A 15 -3.731 -5.610 -5.521 1.00 31.13 H new ATOM 235 N VAL A 16 -7.008 -6.448 0.081 1.00 2.41 N ATOM 236 CA VAL A 16 -8.207 -5.727 -0.316 1.00 31.43 C ATOM 237 C VAL A 16 -8.025 -4.227 -0.117 1.00 22.11 C ATOM 238 O VAL A 16 -7.766 -3.768 0.996 1.00 75.14 O ATOM 239 CB VAL A 16 -9.439 -6.192 0.484 1.00 42.12 C ATOM 240 CG1 VAL A 16 -9.939 -7.530 -0.036 1.00 43.11 C ATOM 241 CG2 VAL A 16 -9.112 -6.277 1.968 1.00 44.24 C ATOM 0 H VAL A 16 -6.596 -6.127 0.957 1.00 2.41 H new ATOM 0 HA VAL A 16 -8.372 -5.941 -1.372 1.00 31.43 H new ATOM 0 HB VAL A 16 -10.233 -5.457 0.352 1.00 42.12 H new ATOM 0 HG11 VAL A 16 -10.809 -7.842 0.541 1.00 43.11 H new ATOM 0 HG12 VAL A 16 -10.216 -7.432 -1.086 1.00 43.11 H new ATOM 0 HG13 VAL A 16 -9.151 -8.276 0.063 1.00 43.11 H new ATOM 0 HG21 VAL A 16 -9.994 -6.607 2.517 1.00 44.24 H new ATOM 0 HG22 VAL A 16 -8.302 -6.989 2.122 1.00 44.24 H new ATOM 0 HG23 VAL A 16 -8.806 -5.295 2.330 1.00 44.24 H new ATOM 251 N VAL A 17 -8.156 -3.465 -1.197 1.00 45.11 N ATOM 252 CA VAL A 17 -7.999 -2.017 -1.129 1.00 30.33 C ATOM 253 C VAL A 17 -8.997 -1.401 -0.156 1.00 63.52 C ATOM 254 O VAL A 17 -10.127 -1.084 -0.528 1.00 3.11 O ATOM 255 CB VAL A 17 -8.176 -1.360 -2.512 1.00 32.22 C ATOM 256 CG1 VAL A 17 -7.862 0.128 -2.443 1.00 52.00 C ATOM 257 CG2 VAL A 17 -7.302 -2.050 -3.549 1.00 3.11 C ATOM 0 H VAL A 17 -8.370 -3.824 -2.127 1.00 45.11 H new ATOM 0 HA VAL A 17 -6.985 -1.829 -0.776 1.00 30.33 H new ATOM 0 HB VAL A 17 -9.217 -1.474 -2.815 1.00 32.22 H new ATOM 0 HG11 VAL A 17 -7.993 0.574 -3.429 1.00 52.00 H new ATOM 0 HG12 VAL A 17 -8.536 0.610 -1.735 1.00 52.00 H new ATOM 0 HG13 VAL A 17 -6.832 0.268 -2.116 1.00 52.00 H new ATOM 0 HG21 VAL A 17 -7.441 -1.572 -4.518 1.00 3.11 H new ATOM 0 HG22 VAL A 17 -6.256 -1.972 -3.253 1.00 3.11 H new ATOM 0 HG23 VAL A 17 -7.582 -3.101 -3.619 1.00 3.11 H new ATOM 267 N ALA A 18 -8.569 -1.223 1.090 1.00 24.25 N ATOM 268 CA ALA A 18 -9.421 -0.632 2.112 1.00 24.50 C ATOM 269 C ALA A 18 -9.339 0.889 2.060 1.00 10.51 C ATOM 270 O ALA A 18 -10.284 1.588 2.424 1.00 72.45 O ATOM 271 CB ALA A 18 -9.025 -1.140 3.490 1.00 51.34 C ATOM 0 H ALA A 18 -7.637 -1.480 1.415 1.00 24.25 H new ATOM 0 HA ALA A 18 -10.452 -0.928 1.917 1.00 24.50 H new ATOM 0 HB1 ALA A 18 -9.671 -0.689 4.243 1.00 51.34 H new ATOM 0 HB2 ALA A 18 -9.131 -2.224 3.522 1.00 51.34 H new ATOM 0 HB3 ALA A 18 -7.988 -0.871 3.693 1.00 51.34 H new ATOM 277 N GLU A 19 -8.199 1.390 1.596 1.00 44.14 N ATOM 278 CA GLU A 19 -7.976 2.823 1.482 1.00 31.20 C ATOM 279 C GLU A 19 -7.256 3.146 0.178 1.00 13.33 C ATOM 280 O GLU A 19 -6.115 2.735 -0.027 1.00 51.44 O ATOM 281 CB GLU A 19 -7.152 3.328 2.668 1.00 2.32 C ATOM 282 CG GLU A 19 -7.688 2.878 4.018 1.00 73.04 C ATOM 283 CD GLU A 19 -7.785 4.016 5.016 1.00 2.05 C ATOM 284 OE1 GLU A 19 -6.760 4.691 5.249 1.00 12.41 O ATOM 285 OE2 GLU A 19 -8.886 4.232 5.565 1.00 60.55 O ATOM 0 H GLU A 19 -7.411 0.818 1.291 1.00 44.14 H new ATOM 0 HA GLU A 19 -8.944 3.323 1.484 1.00 31.20 H new ATOM 0 HB2 GLU A 19 -6.125 2.980 2.560 1.00 2.32 H new ATOM 0 HB3 GLU A 19 -7.124 4.417 2.642 1.00 2.32 H new ATOM 0 HG2 GLU A 19 -8.674 2.433 3.883 1.00 73.04 H new ATOM 0 HG3 GLU A 19 -7.039 2.100 4.421 1.00 73.04 H new ATOM 292 N GLU A 20 -7.926 3.885 -0.703 1.00 40.43 N ATOM 293 CA GLU A 20 -7.338 4.258 -1.987 1.00 21.44 C ATOM 294 C GLU A 20 -5.935 4.820 -1.791 1.00 4.42 C ATOM 295 O GLU A 20 -5.551 5.175 -0.676 1.00 22.04 O ATOM 296 CB GLU A 20 -8.223 5.283 -2.697 1.00 70.02 C ATOM 297 CG GLU A 20 -9.606 4.758 -3.042 1.00 42.32 C ATOM 298 CD GLU A 20 -9.559 3.534 -3.937 1.00 42.34 C ATOM 299 OE1 GLU A 20 -9.135 2.462 -3.456 1.00 64.14 O ATOM 300 OE2 GLU A 20 -9.947 3.648 -5.118 1.00 12.54 O ATOM 0 H GLU A 20 -8.872 4.236 -0.553 1.00 40.43 H new ATOM 0 HA GLU A 20 -7.269 3.364 -2.607 1.00 21.44 H new ATOM 0 HB2 GLU A 20 -8.326 6.163 -2.062 1.00 70.02 H new ATOM 0 HB3 GLU A 20 -7.727 5.606 -3.613 1.00 70.02 H new ATOM 0 HG2 GLU A 20 -10.137 4.511 -2.122 1.00 42.32 H new ATOM 0 HG3 GLU A 20 -10.176 5.544 -3.537 1.00 42.32 H new ATOM 307 N CYS A 21 -5.165 4.886 -2.871 1.00 30.53 N ATOM 308 CA CYS A 21 -3.802 5.392 -2.788 1.00 64.42 C ATOM 309 C CYS A 21 -3.757 6.901 -2.985 1.00 40.01 C ATOM 310 O CYS A 21 -4.511 7.461 -3.781 1.00 62.45 O ATOM 311 CB CYS A 21 -2.898 4.691 -3.805 1.00 45.44 C ATOM 312 SG CYS A 21 -3.272 5.067 -5.546 1.00 71.30 S ATOM 0 H CYS A 21 -5.458 4.599 -3.805 1.00 30.53 H new ATOM 0 HA CYS A 21 -3.430 5.173 -1.787 1.00 64.42 H new ATOM 0 HB2 CYS A 21 -1.864 4.968 -3.602 1.00 45.44 H new ATOM 0 HB3 CYS A 21 -2.974 3.614 -3.656 1.00 45.44 H new ATOM 317 N SER A 22 -2.869 7.553 -2.242 1.00 65.32 N ATOM 318 CA SER A 22 -2.721 9.003 -2.317 1.00 10.12 C ATOM 319 C SER A 22 -1.250 9.406 -2.380 1.00 65.14 C ATOM 320 O SER A 22 -0.364 8.604 -2.086 1.00 32.50 O ATOM 321 CB SER A 22 -3.394 9.669 -1.115 1.00 25.22 C ATOM 322 OG SER A 22 -3.398 8.807 0.009 1.00 65.11 O ATOM 0 H SER A 22 -2.240 7.100 -1.580 1.00 65.32 H new ATOM 0 HA SER A 22 -3.207 9.341 -3.232 1.00 10.12 H new ATOM 0 HB2 SER A 22 -2.871 10.593 -0.867 1.00 25.22 H new ATOM 0 HB3 SER A 22 -4.418 9.941 -1.372 1.00 25.22 H new ATOM 0 HG SER A 22 -3.832 9.256 0.764 1.00 65.11 H new ATOM 328 N PRO A 23 -0.975 10.663 -2.769 1.00 12.03 N ATOM 329 CA PRO A 23 0.393 11.182 -2.879 1.00 21.13 C ATOM 330 C PRO A 23 1.256 10.836 -1.672 1.00 45.21 C ATOM 331 O PRO A 23 0.748 10.506 -0.600 1.00 51.53 O ATOM 332 CB PRO A 23 0.183 12.692 -2.973 1.00 35.35 C ATOM 333 CG PRO A 23 -1.152 12.843 -3.615 1.00 55.13 C ATOM 334 CD PRO A 23 -1.981 11.683 -3.131 1.00 54.30 C ATOM 0 HA PRO A 23 0.924 10.752 -3.728 1.00 21.13 H new ATOM 0 HB2 PRO A 23 0.205 13.158 -1.988 1.00 35.35 H new ATOM 0 HB3 PRO A 23 0.965 13.165 -3.567 1.00 35.35 H new ATOM 0 HG2 PRO A 23 -1.612 13.792 -3.340 1.00 55.13 H new ATOM 0 HG3 PRO A 23 -1.065 12.834 -4.702 1.00 55.13 H new ATOM 0 HD2 PRO A 23 -2.597 11.960 -2.275 1.00 54.30 H new ATOM 0 HD3 PRO A 23 -2.657 11.322 -3.906 1.00 54.30 H new ATOM 342 N CYS A 24 2.570 10.914 -1.859 1.00 64.21 N ATOM 343 CA CYS A 24 3.519 10.610 -0.794 1.00 41.12 C ATOM 344 C CYS A 24 4.279 11.864 -0.374 1.00 42.30 C ATOM 345 O CYS A 24 4.991 12.469 -1.176 1.00 75.22 O ATOM 346 CB CYS A 24 4.500 9.534 -1.260 1.00 22.43 C ATOM 347 SG CYS A 24 3.708 7.970 -1.751 1.00 62.54 S ATOM 0 H CYS A 24 3.003 11.186 -2.742 1.00 64.21 H new ATOM 0 HA CYS A 24 2.964 10.239 0.068 1.00 41.12 H new ATOM 0 HB2 CYS A 24 5.072 9.920 -2.104 1.00 22.43 H new ATOM 0 HB3 CYS A 24 5.211 9.333 -0.458 1.00 22.43 H new ATOM 352 N SER A 25 4.125 12.248 0.890 1.00 62.44 N ATOM 353 CA SER A 25 4.797 13.431 1.418 1.00 2.22 C ATOM 354 C SER A 25 6.305 13.355 1.189 1.00 70.25 C ATOM 355 O SER A 25 6.799 12.426 0.550 1.00 14.45 O ATOM 356 CB SER A 25 4.506 13.583 2.912 1.00 74.44 C ATOM 357 OG SER A 25 4.978 14.827 3.401 1.00 60.02 O ATOM 0 H SER A 25 3.541 11.757 1.567 1.00 62.44 H new ATOM 0 HA SER A 25 4.412 14.301 0.886 1.00 2.22 H new ATOM 0 HB2 SER A 25 3.433 13.504 3.086 1.00 74.44 H new ATOM 0 HB3 SER A 25 4.979 12.770 3.462 1.00 74.44 H new ATOM 0 HG SER A 25 4.778 14.900 4.358 1.00 60.02 H new ATOM 363 N ASN A 26 7.028 14.338 1.714 1.00 2.45 N ATOM 364 CA ASN A 26 8.478 14.385 1.565 1.00 61.34 C ATOM 365 C ASN A 26 9.131 13.145 2.167 1.00 52.52 C ATOM 366 O ASN A 26 10.199 12.719 1.726 1.00 3.14 O ATOM 367 CB ASN A 26 9.039 15.644 2.230 1.00 2.43 C ATOM 368 CG ASN A 26 9.097 16.823 1.280 1.00 24.53 C ATOM 369 OD1 ASN A 26 10.173 17.218 0.830 1.00 4.30 O ATOM 370 ND2 ASN A 26 7.938 17.391 0.969 1.00 71.53 N ATOM 0 H ASN A 26 6.634 15.113 2.247 1.00 2.45 H new ATOM 0 HA ASN A 26 8.706 14.411 0.499 1.00 61.34 H new ATOM 0 HB2 ASN A 26 8.421 15.904 3.089 1.00 2.43 H new ATOM 0 HB3 ASN A 26 10.040 15.436 2.608 1.00 2.43 H new ATOM 0 HD21 ASN A 26 7.915 18.188 0.333 1.00 71.53 H new ATOM 0 HD22 ASN A 26 7.070 17.030 1.366 1.00 71.53 H new ATOM 377 N PHE A 27 8.487 12.570 3.178 1.00 41.14 N ATOM 378 CA PHE A 27 9.009 11.380 3.840 1.00 41.32 C ATOM 379 C PHE A 27 8.396 10.113 3.251 1.00 71.23 C ATOM 380 O PHE A 27 9.080 9.103 3.078 1.00 42.14 O ATOM 381 CB PHE A 27 8.732 11.443 5.343 1.00 24.41 C ATOM 382 CG PHE A 27 9.838 10.872 6.182 1.00 14.35 C ATOM 383 CD1 PHE A 27 10.184 9.535 6.080 1.00 64.20 C ATOM 384 CD2 PHE A 27 10.534 11.673 7.074 1.00 4.42 C ATOM 385 CE1 PHE A 27 11.203 9.006 6.850 1.00 5.30 C ATOM 386 CE2 PHE A 27 11.553 11.151 7.848 1.00 72.30 C ATOM 387 CZ PHE A 27 11.888 9.816 7.736 1.00 64.12 C ATOM 0 H PHE A 27 7.603 12.909 3.557 1.00 41.14 H new ATOM 0 HA PHE A 27 10.086 11.349 3.677 1.00 41.32 H new ATOM 0 HB2 PHE A 27 8.568 12.482 5.631 1.00 24.41 H new ATOM 0 HB3 PHE A 27 7.809 10.904 5.557 1.00 24.41 H new ATOM 0 HD1 PHE A 27 9.651 8.897 5.390 1.00 64.20 H new ATOM 0 HD2 PHE A 27 10.277 12.718 7.165 1.00 4.42 H new ATOM 0 HE1 PHE A 27 11.463 7.962 6.759 1.00 5.30 H new ATOM 0 HE2 PHE A 27 12.087 11.786 8.539 1.00 72.30 H new ATOM 0 HZ PHE A 27 12.684 9.406 8.340 1.00 64.12 H new ATOM 397 N ARG A 28 7.104 10.171 2.947 1.00 22.22 N ATOM 398 CA ARG A 28 6.398 9.027 2.379 1.00 53.32 C ATOM 399 C ARG A 28 7.060 8.562 1.086 1.00 23.30 C ATOM 400 O ARG A 28 7.224 7.365 0.857 1.00 30.43 O ATOM 401 CB ARG A 28 4.934 9.383 2.117 1.00 15.32 C ATOM 402 CG ARG A 28 4.084 8.193 1.700 1.00 53.34 C ATOM 403 CD ARG A 28 3.183 7.726 2.832 1.00 33.12 C ATOM 404 NE ARG A 28 3.010 6.275 2.831 1.00 10.41 N ATOM 405 CZ ARG A 28 3.907 5.421 3.318 1.00 5.44 C ATOM 406 NH1 ARG A 28 5.039 5.866 3.848 1.00 3.24 N ATOM 407 NH2 ARG A 28 3.669 4.117 3.278 1.00 51.31 N ATOM 0 H ARG A 28 6.523 10.998 3.084 1.00 22.22 H new ATOM 0 HA ARG A 28 6.443 8.211 3.101 1.00 53.32 H new ATOM 0 HB2 ARG A 28 4.509 9.824 3.018 1.00 15.32 H new ATOM 0 HB3 ARG A 28 4.887 10.143 1.337 1.00 15.32 H new ATOM 0 HG2 ARG A 28 3.475 8.464 0.838 1.00 53.34 H new ATOM 0 HG3 ARG A 28 4.732 7.374 1.388 1.00 53.34 H new ATOM 0 HD2 ARG A 28 3.607 8.040 3.786 1.00 33.12 H new ATOM 0 HD3 ARG A 28 2.209 8.207 2.742 1.00 33.12 H new ATOM 0 HE ARG A 28 2.151 5.894 2.434 1.00 10.41 H new ATOM 0 HH11 ARG A 28 5.226 6.868 3.884 1.00 3.24 H new ATOM 0 HH12 ARG A 28 5.722 5.206 4.220 1.00 3.24 H new ATOM 0 HH21 ARG A 28 2.799 3.769 2.874 1.00 51.31 H new ATOM 0 HH22 ARG A 28 4.356 3.462 3.651 1.00 51.31 H new ATOM 421 N ALA A 29 7.438 9.517 0.243 1.00 64.15 N ATOM 422 CA ALA A 29 8.081 9.203 -1.028 1.00 43.54 C ATOM 423 C ALA A 29 9.599 9.101 -0.882 1.00 41.43 C ATOM 424 O ALA A 29 10.320 9.026 -1.877 1.00 0.32 O ATOM 425 CB ALA A 29 7.722 10.250 -2.071 1.00 22.10 C ATOM 0 H ALA A 29 7.310 10.514 0.417 1.00 64.15 H new ATOM 0 HA ALA A 29 7.713 8.230 -1.355 1.00 43.54 H new ATOM 0 HB1 ALA A 29 8.208 10.005 -3.015 1.00 22.10 H new ATOM 0 HB2 ALA A 29 6.641 10.267 -2.213 1.00 22.10 H new ATOM 0 HB3 ALA A 29 8.059 11.230 -1.734 1.00 22.10 H new ATOM 431 N LYS A 30 10.081 9.097 0.359 1.00 63.32 N ATOM 432 CA LYS A 30 11.512 9.004 0.620 1.00 21.21 C ATOM 433 C LYS A 30 11.904 7.579 0.999 1.00 71.31 C ATOM 434 O LYS A 30 13.005 7.125 0.690 1.00 20.25 O ATOM 435 CB LYS A 30 11.911 9.972 1.737 1.00 54.31 C ATOM 436 CG LYS A 30 13.191 10.738 1.448 1.00 43.22 C ATOM 437 CD LYS A 30 12.921 11.976 0.607 1.00 73.04 C ATOM 438 CE LYS A 30 14.171 12.435 -0.126 1.00 54.22 C ATOM 439 NZ LYS A 30 14.023 13.815 -0.666 1.00 13.54 N ATOM 0 H LYS A 30 9.502 9.157 1.196 1.00 63.32 H new ATOM 0 HA LYS A 30 12.042 9.276 -0.293 1.00 21.21 H new ATOM 0 HB2 LYS A 30 11.100 10.683 1.898 1.00 54.31 H new ATOM 0 HB3 LYS A 30 12.033 9.413 2.665 1.00 54.31 H new ATOM 0 HG2 LYS A 30 13.662 11.030 2.387 1.00 43.22 H new ATOM 0 HG3 LYS A 30 13.895 10.089 0.927 1.00 43.22 H new ATOM 0 HD2 LYS A 30 12.133 11.762 -0.115 1.00 73.04 H new ATOM 0 HD3 LYS A 30 12.557 12.780 1.247 1.00 73.04 H new ATOM 0 HE2 LYS A 30 15.023 12.400 0.553 1.00 54.22 H new ATOM 0 HE3 LYS A 30 14.386 11.747 -0.943 1.00 54.22 H new ATOM 0 HZ1 LYS A 30 14.897 14.091 -1.159 1.00 13.54 H new ATOM 0 HZ2 LYS A 30 13.226 13.843 -1.333 1.00 13.54 H new ATOM 0 HZ3 LYS A 30 13.843 14.476 0.116 1.00 13.54 H new ATOM 453 N THR A 31 10.997 6.881 1.673 1.00 61.53 N ATOM 454 CA THR A 31 11.249 5.508 2.098 1.00 13.24 C ATOM 455 C THR A 31 10.381 4.525 1.318 1.00 42.45 C ATOM 456 O THR A 31 10.845 3.459 0.912 1.00 34.10 O ATOM 457 CB THR A 31 10.988 5.361 3.598 1.00 11.02 C ATOM 458 OG1 THR A 31 10.120 6.381 4.059 1.00 32.44 O ATOM 459 CG2 THR A 31 12.249 5.421 4.433 1.00 22.32 C ATOM 0 H THR A 31 10.081 7.243 1.937 1.00 61.53 H new ATOM 0 HA THR A 31 12.295 5.278 1.894 1.00 13.24 H new ATOM 0 HB THR A 31 10.538 4.375 3.717 1.00 11.02 H new ATOM 0 HG1 THR A 31 9.965 6.269 5.020 1.00 32.44 H new ATOM 0 HG21 THR A 31 11.993 5.310 5.487 1.00 22.32 H new ATOM 0 HG22 THR A 31 12.921 4.615 4.136 1.00 22.32 H new ATOM 0 HG23 THR A 31 12.743 6.380 4.278 1.00 22.32 H new ATOM 467 N THR A 32 9.119 4.888 1.115 1.00 45.15 N ATOM 468 CA THR A 32 8.185 4.036 0.388 1.00 43.11 C ATOM 469 C THR A 32 8.530 3.991 -1.102 1.00 2.54 C ATOM 470 O THR A 32 8.380 4.988 -1.808 1.00 63.31 O ATOM 471 CB THR A 32 6.754 4.540 0.573 1.00 61.10 C ATOM 472 OG1 THR A 32 6.511 4.873 1.928 1.00 32.05 O ATOM 473 CG2 THR A 32 5.704 3.534 0.151 1.00 2.45 C ATOM 0 H THR A 32 8.719 5.767 1.444 1.00 45.15 H new ATOM 0 HA THR A 32 8.265 3.027 0.792 1.00 43.11 H new ATOM 0 HB THR A 32 6.672 5.416 -0.070 1.00 61.10 H new ATOM 0 HG1 THR A 32 6.740 5.814 2.080 1.00 32.05 H new ATOM 0 HG21 THR A 32 4.712 3.956 0.309 1.00 2.45 H new ATOM 0 HG22 THR A 32 5.833 3.295 -0.905 1.00 2.45 H new ATOM 0 HG23 THR A 32 5.811 2.626 0.745 1.00 2.45 H new ATOM 481 N PRO A 33 8.992 2.831 -1.605 1.00 11.43 N ATOM 482 CA PRO A 33 9.348 2.673 -3.018 1.00 45.13 C ATOM 483 C PRO A 33 8.122 2.655 -3.927 1.00 31.43 C ATOM 484 O PRO A 33 8.238 2.812 -5.143 1.00 12.40 O ATOM 485 CB PRO A 33 10.060 1.320 -3.054 1.00 10.30 C ATOM 486 CG PRO A 33 9.489 0.564 -1.906 1.00 12.03 C ATOM 487 CD PRO A 33 9.199 1.585 -0.840 1.00 41.42 C ATOM 0 HA PRO A 33 9.957 3.501 -3.380 1.00 45.13 H new ATOM 0 HB2 PRO A 33 9.882 0.803 -3.997 1.00 10.30 H new ATOM 0 HB3 PRO A 33 11.139 1.437 -2.954 1.00 10.30 H new ATOM 0 HG2 PRO A 33 8.581 0.037 -2.199 1.00 12.03 H new ATOM 0 HG3 PRO A 33 10.191 -0.188 -1.546 1.00 12.03 H new ATOM 0 HD2 PRO A 33 8.316 1.319 -0.259 1.00 41.42 H new ATOM 0 HD3 PRO A 33 10.027 1.678 -0.137 1.00 41.42 H new ATOM 495 N GLU A 34 6.949 2.463 -3.331 1.00 11.32 N ATOM 496 CA GLU A 34 5.701 2.424 -4.085 1.00 53.25 C ATOM 497 C GLU A 34 5.354 3.798 -4.660 1.00 10.23 C ATOM 498 O GLU A 34 4.464 3.918 -5.501 1.00 54.24 O ATOM 499 CB GLU A 34 4.562 1.926 -3.194 1.00 63.21 C ATOM 500 CG GLU A 34 4.217 0.461 -3.408 1.00 20.42 C ATOM 501 CD GLU A 34 5.209 -0.475 -2.748 1.00 61.21 C ATOM 502 OE1 GLU A 34 6.425 -0.318 -2.990 1.00 71.10 O ATOM 503 OE2 GLU A 34 4.772 -1.364 -1.988 1.00 20.23 O ATOM 0 H GLU A 34 6.837 2.332 -2.326 1.00 11.32 H new ATOM 0 HA GLU A 34 5.835 1.734 -4.918 1.00 53.25 H new ATOM 0 HB2 GLU A 34 4.836 2.077 -2.150 1.00 63.21 H new ATOM 0 HB3 GLU A 34 3.675 2.531 -3.381 1.00 63.21 H new ATOM 0 HG2 GLU A 34 3.220 0.265 -3.013 1.00 20.42 H new ATOM 0 HG3 GLU A 34 4.183 0.252 -4.477 1.00 20.42 H new ATOM 510 N CYS A 35 6.058 4.831 -4.202 1.00 34.03 N ATOM 511 CA CYS A 35 5.816 6.191 -4.675 1.00 51.31 C ATOM 512 C CYS A 35 6.734 6.539 -5.846 1.00 2.43 C ATOM 513 O CYS A 35 7.000 7.712 -6.108 1.00 20.32 O ATOM 514 CB CYS A 35 6.029 7.189 -3.537 1.00 24.41 C ATOM 515 SG CYS A 35 5.268 6.688 -1.959 1.00 51.41 S ATOM 0 H CYS A 35 6.799 4.752 -3.505 1.00 34.03 H new ATOM 0 HA CYS A 35 4.783 6.249 -5.019 1.00 51.31 H new ATOM 0 HB2 CYS A 35 7.099 7.327 -3.385 1.00 24.41 H new ATOM 0 HB3 CYS A 35 5.622 8.155 -3.834 1.00 24.41 H new ATOM 520 N GLY A 36 7.222 5.515 -6.541 1.00 63.22 N ATOM 521 CA GLY A 36 8.111 5.739 -7.666 1.00 52.33 C ATOM 522 C GLY A 36 7.395 5.779 -9.007 1.00 55.01 C ATOM 523 O GLY A 36 7.649 6.672 -9.814 1.00 64.32 O ATOM 0 H GLY A 36 7.017 4.535 -6.345 1.00 63.22 H new ATOM 0 HA2 GLY A 36 8.641 6.680 -7.518 1.00 52.33 H new ATOM 0 HA3 GLY A 36 8.862 4.950 -7.688 1.00 52.33 H new ATOM 527 N PRO A 37 6.501 4.813 -9.286 1.00 73.14 N ATOM 528 CA PRO A 37 5.775 4.758 -10.554 1.00 23.15 C ATOM 529 C PRO A 37 4.535 5.648 -10.573 1.00 63.30 C ATOM 530 O PRO A 37 4.330 6.418 -11.512 1.00 0.41 O ATOM 531 CB PRO A 37 5.384 3.286 -10.654 1.00 62.32 C ATOM 532 CG PRO A 37 5.230 2.831 -9.240 1.00 11.42 C ATOM 533 CD PRO A 37 6.138 3.693 -8.397 1.00 1.33 C ATOM 0 HA PRO A 37 6.378 5.121 -11.386 1.00 23.15 H new ATOM 0 HB2 PRO A 37 4.456 3.161 -11.212 1.00 62.32 H new ATOM 0 HB3 PRO A 37 6.149 2.709 -11.173 1.00 62.32 H new ATOM 0 HG2 PRO A 37 4.194 2.928 -8.914 1.00 11.42 H new ATOM 0 HG3 PRO A 37 5.497 1.779 -9.142 1.00 11.42 H new ATOM 0 HD2 PRO A 37 5.631 4.046 -7.499 1.00 1.33 H new ATOM 0 HD3 PRO A 37 7.020 3.142 -8.070 1.00 1.33 H new ATOM 541 N THR A 38 3.708 5.535 -9.541 1.00 72.51 N ATOM 542 CA THR A 38 2.486 6.330 -9.453 1.00 5.33 C ATOM 543 C THR A 38 2.646 7.483 -8.472 1.00 31.43 C ATOM 544 O THR A 38 2.068 8.553 -8.658 1.00 73.30 O ATOM 545 CB THR A 38 1.306 5.454 -9.017 1.00 71.42 C ATOM 546 OG1 THR A 38 0.229 6.255 -8.565 1.00 73.30 O ATOM 547 CG2 THR A 38 1.652 4.488 -7.905 1.00 44.04 C ATOM 0 H THR A 38 3.859 4.903 -8.755 1.00 72.51 H new ATOM 0 HA THR A 38 2.290 6.739 -10.444 1.00 5.33 H new ATOM 0 HB THR A 38 1.032 4.880 -9.902 1.00 71.42 H new ATOM 0 HG1 THR A 38 -0.574 5.701 -8.470 1.00 73.30 H new ATOM 0 HG21 THR A 38 0.771 3.900 -7.646 1.00 44.04 H new ATOM 0 HG22 THR A 38 2.448 3.822 -8.237 1.00 44.04 H new ATOM 0 HG23 THR A 38 1.986 5.045 -7.030 1.00 44.04 H new ATOM 555 N GLY A 39 3.410 7.249 -7.412 1.00 33.13 N ATOM 556 CA GLY A 39 3.599 8.271 -6.401 1.00 62.14 C ATOM 557 C GLY A 39 2.449 8.293 -5.408 1.00 14.14 C ATOM 558 O GLY A 39 2.463 9.057 -4.443 1.00 32.31 O ATOM 0 H GLY A 39 3.901 6.372 -7.235 1.00 33.13 H new ATOM 0 HA2 GLY A 39 4.535 8.091 -5.871 1.00 62.14 H new ATOM 0 HA3 GLY A 39 3.686 9.246 -6.880 1.00 62.14 H new ATOM 562 N TYR A 40 1.454 7.441 -5.653 1.00 12.43 N ATOM 563 CA TYR A 40 0.286 7.337 -4.794 1.00 72.12 C ATOM 564 C TYR A 40 0.272 5.977 -4.102 1.00 52.23 C ATOM 565 O TYR A 40 0.365 4.941 -4.761 1.00 63.24 O ATOM 566 CB TYR A 40 -0.988 7.511 -5.625 1.00 3.43 C ATOM 567 CG TYR A 40 -1.219 8.927 -6.109 1.00 2.20 C ATOM 568 CD1 TYR A 40 -0.231 9.618 -6.800 1.00 11.45 C ATOM 569 CD2 TYR A 40 -2.428 9.570 -5.878 1.00 71.14 C ATOM 570 CE1 TYR A 40 -0.443 10.909 -7.245 1.00 41.14 C ATOM 571 CE2 TYR A 40 -2.648 10.860 -6.322 1.00 4.45 C ATOM 572 CZ TYR A 40 -1.652 11.526 -7.004 1.00 61.44 C ATOM 573 OH TYR A 40 -1.867 12.810 -7.447 1.00 3.50 O ATOM 0 H TYR A 40 1.439 6.807 -6.452 1.00 12.43 H new ATOM 0 HA TYR A 40 0.328 8.121 -4.038 1.00 72.12 H new ATOM 0 HB2 TYR A 40 -0.940 6.846 -6.488 1.00 3.43 H new ATOM 0 HB3 TYR A 40 -1.845 7.198 -5.028 1.00 3.43 H new ATOM 0 HD1 TYR A 40 0.717 9.139 -6.992 1.00 11.45 H new ATOM 0 HD2 TYR A 40 -3.210 9.053 -5.342 1.00 71.14 H new ATOM 0 HE1 TYR A 40 0.336 11.433 -7.780 1.00 41.14 H new ATOM 0 HE2 TYR A 40 -3.595 11.344 -6.136 1.00 4.45 H new ATOM 0 HH TYR A 40 -2.770 13.096 -7.196 1.00 3.50 H new ATOM 583 N VAL A 41 0.167 5.975 -2.776 1.00 42.43 N ATOM 584 CA VAL A 41 0.158 4.722 -2.026 1.00 62.13 C ATOM 585 C VAL A 41 -1.163 4.501 -1.295 1.00 74.32 C ATOM 586 O VAL A 41 -1.666 5.389 -0.605 1.00 3.13 O ATOM 587 CB VAL A 41 1.313 4.664 -1.010 1.00 24.30 C ATOM 588 CG1 VAL A 41 2.651 4.815 -1.714 1.00 2.21 C ATOM 589 CG2 VAL A 41 1.143 5.732 0.062 1.00 64.44 C ATOM 0 H VAL A 41 0.088 6.816 -2.204 1.00 42.43 H new ATOM 0 HA VAL A 41 0.286 3.928 -2.761 1.00 62.13 H new ATOM 0 HB VAL A 41 1.291 3.689 -0.523 1.00 24.30 H new ATOM 0 HG11 VAL A 41 3.455 4.772 -0.980 1.00 2.21 H new ATOM 0 HG12 VAL A 41 2.775 4.008 -2.436 1.00 2.21 H new ATOM 0 HG13 VAL A 41 2.684 5.774 -2.232 1.00 2.21 H new ATOM 0 HG21 VAL A 41 1.970 5.673 0.769 1.00 64.44 H new ATOM 0 HG22 VAL A 41 1.134 6.717 -0.404 1.00 64.44 H new ATOM 0 HG23 VAL A 41 0.203 5.572 0.589 1.00 64.44 H new ATOM 599 N GLU A 42 -1.711 3.299 -1.452 1.00 61.52 N ATOM 600 CA GLU A 42 -2.973 2.922 -0.819 1.00 3.23 C ATOM 601 C GLU A 42 -2.732 2.049 0.407 1.00 23.24 C ATOM 602 O GLU A 42 -1.597 1.675 0.705 1.00 50.54 O ATOM 603 CB GLU A 42 -3.858 2.170 -1.817 1.00 62.53 C ATOM 604 CG GLU A 42 -3.097 1.168 -2.669 1.00 13.02 C ATOM 605 CD GLU A 42 -3.847 -0.138 -2.851 1.00 72.20 C ATOM 606 OE1 GLU A 42 -5.055 -0.179 -2.534 1.00 2.41 O ATOM 607 OE2 GLU A 42 -3.227 -1.118 -3.313 1.00 31.14 O ATOM 0 H GLU A 42 -1.295 2.561 -2.020 1.00 61.52 H new ATOM 0 HA GLU A 42 -3.476 3.835 -0.501 1.00 3.23 H new ATOM 0 HB2 GLU A 42 -4.644 1.648 -1.271 1.00 62.53 H new ATOM 0 HB3 GLU A 42 -4.349 2.891 -2.470 1.00 62.53 H new ATOM 0 HG2 GLU A 42 -2.898 1.607 -3.647 1.00 13.02 H new ATOM 0 HG3 GLU A 42 -2.131 0.965 -2.208 1.00 13.02 H new ATOM 614 N LYS A 43 -3.812 1.721 1.111 1.00 11.22 N ATOM 615 CA LYS A 43 -3.728 0.884 2.301 1.00 62.41 C ATOM 616 C LYS A 43 -4.530 -0.401 2.114 1.00 53.12 C ATOM 617 O LYS A 43 -5.737 -0.436 2.360 1.00 1.11 O ATOM 618 CB LYS A 43 -4.233 1.646 3.529 1.00 42.13 C ATOM 619 CG LYS A 43 -3.317 1.529 4.736 1.00 13.50 C ATOM 620 CD LYS A 43 -3.635 2.588 5.780 1.00 11.04 C ATOM 621 CE LYS A 43 -3.321 2.097 7.184 1.00 11.11 C ATOM 622 NZ LYS A 43 -1.996 2.583 7.659 1.00 54.40 N ATOM 0 H LYS A 43 -4.757 2.024 0.876 1.00 11.22 H new ATOM 0 HA LYS A 43 -2.682 0.620 2.458 1.00 62.41 H new ATOM 0 HB2 LYS A 43 -4.348 2.699 3.271 1.00 42.13 H new ATOM 0 HB3 LYS A 43 -5.222 1.273 3.796 1.00 42.13 H new ATOM 0 HG2 LYS A 43 -3.420 0.538 5.178 1.00 13.50 H new ATOM 0 HG3 LYS A 43 -2.279 1.630 4.418 1.00 13.50 H new ATOM 0 HD2 LYS A 43 -3.060 3.490 5.572 1.00 11.04 H new ATOM 0 HD3 LYS A 43 -4.689 2.860 5.715 1.00 11.04 H new ATOM 0 HE2 LYS A 43 -4.099 2.435 7.869 1.00 11.11 H new ATOM 0 HE3 LYS A 43 -3.335 1.007 7.199 1.00 11.11 H new ATOM 0 HZ1 LYS A 43 -1.681 2.003 8.462 1.00 54.40 H new ATOM 0 HZ2 LYS A 43 -1.303 2.511 6.887 1.00 54.40 H new ATOM 0 HZ3 LYS A 43 -2.078 3.575 7.960 1.00 54.40 H new ATOM 636 N ILE A 44 -3.850 -1.453 1.672 1.00 32.43 N ATOM 637 CA ILE A 44 -4.493 -2.742 1.444 1.00 61.52 C ATOM 638 C ILE A 44 -4.257 -3.693 2.613 1.00 63.40 C ATOM 639 O ILE A 44 -3.137 -3.818 3.108 1.00 33.33 O ATOM 640 CB ILE A 44 -3.981 -3.400 0.147 1.00 31.32 C ATOM 641 CG1 ILE A 44 -2.457 -3.553 0.190 1.00 72.31 C ATOM 642 CG2 ILE A 44 -4.406 -2.584 -1.064 1.00 10.33 C ATOM 643 CD1 ILE A 44 -2.000 -4.984 0.353 1.00 31.45 C ATOM 0 H ILE A 44 -2.852 -1.438 1.464 1.00 32.43 H new ATOM 0 HA ILE A 44 -5.562 -2.550 1.350 1.00 61.52 H new ATOM 0 HB ILE A 44 -4.422 -4.393 0.063 1.00 31.32 H new ATOM 0 HG12 ILE A 44 -2.033 -3.147 -0.728 1.00 72.31 H new ATOM 0 HG13 ILE A 44 -2.063 -2.958 1.014 1.00 72.31 H new ATOM 0 HG21 ILE A 44 -4.037 -3.061 -1.972 1.00 10.33 H new ATOM 0 HG22 ILE A 44 -5.494 -2.527 -1.100 1.00 10.33 H new ATOM 0 HG23 ILE A 44 -3.992 -1.578 -0.989 1.00 10.33 H new ATOM 0 HD11 ILE A 44 -0.911 -5.018 0.376 1.00 31.45 H new ATOM 0 HD12 ILE A 44 -2.395 -5.388 1.285 1.00 31.45 H new ATOM 0 HD13 ILE A 44 -2.364 -5.580 -0.484 1.00 31.45 H new ATOM 655 N THR A 45 -5.321 -4.362 3.050 1.00 55.41 N ATOM 656 CA THR A 45 -5.231 -5.304 4.161 1.00 51.25 C ATOM 657 C THR A 45 -5.250 -6.743 3.657 1.00 40.22 C ATOM 658 O THR A 45 -6.035 -7.090 2.774 1.00 1.12 O ATOM 659 CB THR A 45 -6.385 -5.079 5.140 1.00 15.12 C ATOM 660 OG1 THR A 45 -6.622 -3.694 5.326 1.00 3.01 O ATOM 661 CG2 THR A 45 -6.140 -5.689 6.503 1.00 42.42 C ATOM 0 H THR A 45 -6.255 -4.269 2.651 1.00 55.41 H new ATOM 0 HA THR A 45 -4.286 -5.132 4.676 1.00 51.25 H new ATOM 0 HB THR A 45 -7.247 -5.570 4.689 1.00 15.12 H new ATOM 0 HG1 THR A 45 -7.364 -3.571 5.954 1.00 3.01 H new ATOM 0 HG21 THR A 45 -6.996 -5.493 7.149 1.00 42.42 H new ATOM 0 HG22 THR A 45 -6.002 -6.765 6.400 1.00 42.42 H new ATOM 0 HG23 THR A 45 -5.245 -5.249 6.943 1.00 42.42 H new ATOM 669 N CYS A 46 -4.383 -7.577 4.223 1.00 64.32 N ATOM 670 CA CYS A 46 -4.305 -8.979 3.825 1.00 13.53 C ATOM 671 C CYS A 46 -5.241 -9.842 4.659 1.00 55.44 C ATOM 672 O CYS A 46 -5.105 -9.924 5.879 1.00 70.35 O ATOM 673 CB CYS A 46 -2.869 -9.495 3.951 1.00 22.14 C ATOM 674 SG CYS A 46 -1.725 -8.795 2.715 1.00 51.55 S ATOM 0 H CYS A 46 -3.727 -7.308 4.956 1.00 64.32 H new ATOM 0 HA CYS A 46 -4.616 -9.044 2.782 1.00 13.53 H new ATOM 0 HB2 CYS A 46 -2.496 -9.265 4.949 1.00 22.14 H new ATOM 0 HB3 CYS A 46 -2.873 -10.581 3.855 1.00 22.14 H new ATOM 679 N SER A 47 -6.186 -10.497 3.990 1.00 45.25 N ATOM 680 CA SER A 47 -7.141 -11.367 4.664 1.00 42.35 C ATOM 681 C SER A 47 -6.414 -12.337 5.588 1.00 14.03 C ATOM 682 O SER A 47 -6.954 -12.767 6.607 1.00 21.44 O ATOM 683 CB SER A 47 -7.967 -12.142 3.637 1.00 63.32 C ATOM 684 OG SER A 47 -8.747 -13.148 4.262 1.00 14.35 O ATOM 0 H SER A 47 -6.310 -10.440 2.979 1.00 45.25 H new ATOM 0 HA SER A 47 -7.811 -10.749 5.262 1.00 42.35 H new ATOM 0 HB2 SER A 47 -8.619 -11.455 3.097 1.00 63.32 H new ATOM 0 HB3 SER A 47 -7.304 -12.597 2.901 1.00 63.32 H new ATOM 0 HG SER A 47 -9.267 -13.628 3.584 1.00 14.35 H new ATOM 690 N SER A 48 -5.180 -12.667 5.224 1.00 3.45 N ATOM 691 CA SER A 48 -4.366 -13.572 6.017 1.00 4.33 C ATOM 692 C SER A 48 -3.612 -12.799 7.092 1.00 11.24 C ATOM 693 O SER A 48 -2.614 -12.137 6.813 1.00 45.14 O ATOM 694 CB SER A 48 -3.382 -14.329 5.123 1.00 32.31 C ATOM 695 OG SER A 48 -3.843 -15.643 4.858 1.00 44.11 O ATOM 0 H SER A 48 -4.723 -12.318 4.381 1.00 3.45 H new ATOM 0 HA SER A 48 -5.023 -14.295 6.500 1.00 4.33 H new ATOM 0 HB2 SER A 48 -3.249 -13.790 4.185 1.00 32.31 H new ATOM 0 HB3 SER A 48 -2.406 -14.373 5.606 1.00 32.31 H new ATOM 0 HG SER A 48 -3.198 -16.106 4.283 1.00 44.11 H new ATOM 701 N SER A 49 -4.118 -12.886 8.317 1.00 21.11 N ATOM 702 CA SER A 49 -3.528 -12.202 9.471 1.00 51.02 C ATOM 703 C SER A 49 -3.933 -10.733 9.511 1.00 25.33 C ATOM 704 O SER A 49 -3.404 -9.964 10.315 1.00 51.41 O ATOM 705 CB SER A 49 -1.996 -12.318 9.474 1.00 14.34 C ATOM 706 OG SER A 49 -1.558 -13.247 10.450 1.00 42.14 O ATOM 0 H SER A 49 -4.949 -13.432 8.542 1.00 21.11 H new ATOM 0 HA SER A 49 -3.914 -12.697 10.362 1.00 51.02 H new ATOM 0 HB2 SER A 49 -1.650 -12.630 8.489 1.00 14.34 H new ATOM 0 HB3 SER A 49 -1.554 -11.341 9.673 1.00 14.34 H new ATOM 0 HG SER A 49 -0.580 -13.304 10.431 1.00 42.14 H new ATOM 712 N LYS A 50 -4.866 -10.340 8.639 1.00 72.14 N ATOM 713 CA LYS A 50 -5.325 -8.954 8.580 1.00 20.52 C ATOM 714 C LYS A 50 -4.143 -8.000 8.700 1.00 2.24 C ATOM 715 O LYS A 50 -3.932 -7.380 9.742 1.00 33.43 O ATOM 716 CB LYS A 50 -6.338 -8.683 9.694 1.00 22.21 C ATOM 717 CG LYS A 50 -7.782 -8.698 9.220 1.00 61.25 C ATOM 718 CD LYS A 50 -8.072 -7.538 8.280 1.00 54.41 C ATOM 719 CE LYS A 50 -9.524 -7.535 7.831 1.00 54.43 C ATOM 720 NZ LYS A 50 -9.715 -6.759 6.574 1.00 32.11 N ATOM 0 H LYS A 50 -5.316 -10.962 7.967 1.00 72.14 H new ATOM 0 HA LYS A 50 -5.811 -8.789 7.618 1.00 20.52 H new ATOM 0 HB2 LYS A 50 -6.214 -9.431 10.477 1.00 22.21 H new ATOM 0 HB3 LYS A 50 -6.122 -7.713 10.143 1.00 22.21 H new ATOM 0 HG2 LYS A 50 -7.990 -9.640 8.712 1.00 61.25 H new ATOM 0 HG3 LYS A 50 -8.449 -8.646 10.080 1.00 61.25 H new ATOM 0 HD2 LYS A 50 -7.843 -6.597 8.780 1.00 54.41 H new ATOM 0 HD3 LYS A 50 -7.421 -7.603 7.408 1.00 54.41 H new ATOM 0 HE2 LYS A 50 -9.859 -8.561 7.679 1.00 54.43 H new ATOM 0 HE3 LYS A 50 -10.147 -7.110 8.618 1.00 54.43 H new ATOM 0 HZ1 LYS A 50 -10.718 -6.781 6.301 1.00 32.11 H new ATOM 0 HZ2 LYS A 50 -9.419 -5.774 6.726 1.00 32.11 H new ATOM 0 HZ3 LYS A 50 -9.141 -7.180 5.816 1.00 32.11 H new ATOM 734 N ARG A 51 -3.364 -7.905 7.630 1.00 1.11 N ATOM 735 CA ARG A 51 -2.189 -7.049 7.618 1.00 14.13 C ATOM 736 C ARG A 51 -2.328 -5.937 6.585 1.00 53.14 C ATOM 737 O ARG A 51 -2.473 -6.196 5.390 1.00 22.30 O ATOM 738 CB ARG A 51 -0.939 -7.884 7.344 1.00 42.52 C ATOM 739 CG ARG A 51 0.096 -7.816 8.455 1.00 52.54 C ATOM 740 CD ARG A 51 1.329 -8.638 8.118 1.00 73.22 C ATOM 741 NE ARG A 51 1.067 -10.074 8.193 1.00 64.03 N ATOM 742 CZ ARG A 51 2.021 -10.997 8.291 1.00 42.13 C ATOM 743 NH1 ARG A 51 3.298 -10.640 8.327 1.00 21.42 N ATOM 744 NH2 ARG A 51 1.695 -12.281 8.355 1.00 50.42 N ATOM 0 H ARG A 51 -3.526 -8.411 6.760 1.00 1.11 H new ATOM 0 HA ARG A 51 -2.095 -6.581 8.598 1.00 14.13 H new ATOM 0 HB2 ARG A 51 -1.232 -8.923 7.196 1.00 42.52 H new ATOM 0 HB3 ARG A 51 -0.483 -7.545 6.414 1.00 42.52 H new ATOM 0 HG2 ARG A 51 0.384 -6.778 8.623 1.00 52.54 H new ATOM 0 HG3 ARG A 51 -0.342 -8.179 9.385 1.00 52.54 H new ATOM 0 HD2 ARG A 51 1.671 -8.384 7.115 1.00 73.22 H new ATOM 0 HD3 ARG A 51 2.135 -8.380 8.805 1.00 73.22 H new ATOM 0 HE ARG A 51 0.097 -10.387 8.169 1.00 64.03 H new ATOM 0 HH11 ARG A 51 3.553 -9.654 8.280 1.00 21.42 H new ATOM 0 HH12 ARG A 51 4.025 -11.352 8.402 1.00 21.42 H new ATOM 0 HH21 ARG A 51 0.714 -12.560 8.329 1.00 50.42 H new ATOM 0 HH22 ARG A 51 2.425 -12.989 8.430 1.00 50.42 H new ATOM 758 N ASN A 52 -2.284 -4.699 7.061 1.00 34.42 N ATOM 759 CA ASN A 52 -2.406 -3.535 6.191 1.00 23.12 C ATOM 760 C ASN A 52 -1.043 -3.105 5.663 1.00 31.12 C ATOM 761 O ASN A 52 -0.225 -2.554 6.400 1.00 2.31 O ATOM 762 CB ASN A 52 -3.064 -2.377 6.941 1.00 20.24 C ATOM 763 CG ASN A 52 -2.253 -1.931 8.143 1.00 4.31 C ATOM 764 OD1 ASN A 52 -1.444 -1.008 8.053 1.00 5.34 O ATOM 765 ND2 ASN A 52 -2.467 -2.587 9.278 1.00 3.21 N ATOM 0 H ASN A 52 -2.164 -4.474 8.049 1.00 34.42 H new ATOM 0 HA ASN A 52 -3.033 -3.812 5.343 1.00 23.12 H new ATOM 0 HB2 ASN A 52 -3.194 -1.535 6.261 1.00 20.24 H new ATOM 0 HB3 ASN A 52 -4.059 -2.679 7.269 1.00 20.24 H new ATOM 0 HD21 ASN A 52 -1.951 -2.331 10.120 1.00 3.21 H new ATOM 0 HD22 ASN A 52 -3.147 -3.346 9.308 1.00 3.21 H new ATOM 772 N GLU A 53 -0.805 -3.360 4.382 1.00 41.33 N ATOM 773 CA GLU A 53 0.458 -2.999 3.752 1.00 4.05 C ATOM 774 C GLU A 53 0.314 -1.710 2.951 1.00 61.35 C ATOM 775 O GLU A 53 -0.797 -1.267 2.662 1.00 75.32 O ATOM 776 CB GLU A 53 0.937 -4.132 2.841 1.00 12.24 C ATOM 777 CG GLU A 53 2.109 -4.915 3.410 1.00 2.20 C ATOM 778 CD GLU A 53 3.275 -4.024 3.791 1.00 62.15 C ATOM 779 OE1 GLU A 53 3.761 -3.275 2.918 1.00 35.21 O ATOM 780 OE2 GLU A 53 3.703 -4.076 4.964 1.00 30.34 O ATOM 0 H GLU A 53 -1.471 -3.816 3.759 1.00 41.33 H new ATOM 0 HA GLU A 53 1.197 -2.837 4.536 1.00 4.05 H new ATOM 0 HB2 GLU A 53 0.108 -4.816 2.659 1.00 12.24 H new ATOM 0 HB3 GLU A 53 1.224 -3.715 1.876 1.00 12.24 H new ATOM 0 HG2 GLU A 53 1.778 -5.470 4.288 1.00 2.20 H new ATOM 0 HG3 GLU A 53 2.442 -5.649 2.676 1.00 2.20 H new ATOM 787 N PHE A 54 1.446 -1.117 2.592 1.00 62.12 N ATOM 788 CA PHE A 54 1.448 0.120 1.820 1.00 52.31 C ATOM 789 C PHE A 54 1.734 -0.168 0.350 1.00 20.21 C ATOM 790 O PHE A 54 2.888 -0.306 -0.054 1.00 71.11 O ATOM 791 CB PHE A 54 2.490 1.092 2.375 1.00 31.23 C ATOM 792 CG PHE A 54 2.221 1.516 3.791 1.00 44.21 C ATOM 793 CD1 PHE A 54 1.156 2.350 4.089 1.00 60.55 C ATOM 794 CD2 PHE A 54 3.035 1.079 4.824 1.00 53.04 C ATOM 795 CE1 PHE A 54 0.906 2.741 5.390 1.00 31.14 C ATOM 796 CE2 PHE A 54 2.790 1.467 6.128 1.00 20.43 C ATOM 797 CZ PHE A 54 1.724 2.299 6.411 1.00 5.43 C ATOM 0 H PHE A 54 2.374 -1.472 2.823 1.00 62.12 H new ATOM 0 HA PHE A 54 0.462 0.577 1.901 1.00 52.31 H new ATOM 0 HB2 PHE A 54 3.474 0.625 2.325 1.00 31.23 H new ATOM 0 HB3 PHE A 54 2.524 1.977 1.740 1.00 31.23 H new ATOM 0 HD1 PHE A 54 0.513 2.699 3.294 1.00 60.55 H new ATOM 0 HD2 PHE A 54 3.870 0.428 4.608 1.00 53.04 H new ATOM 0 HE1 PHE A 54 0.072 3.391 5.608 1.00 31.14 H new ATOM 0 HE2 PHE A 54 3.431 1.120 6.925 1.00 20.43 H new ATOM 0 HZ PHE A 54 1.531 2.603 7.429 1.00 5.43 H new ATOM 807 N LYS A 55 0.674 -0.261 -0.443 1.00 44.01 N ATOM 808 CA LYS A 55 0.804 -0.540 -1.869 1.00 73.11 C ATOM 809 C LYS A 55 0.632 0.734 -2.691 1.00 63.12 C ATOM 810 O LYS A 55 0.360 1.800 -2.147 1.00 60.32 O ATOM 811 CB LYS A 55 -0.229 -1.584 -2.295 1.00 13.23 C ATOM 812 CG LYS A 55 0.376 -2.938 -2.626 1.00 41.25 C ATOM 813 CD LYS A 55 -0.433 -3.663 -3.689 1.00 62.10 C ATOM 814 CE LYS A 55 0.195 -3.514 -5.065 1.00 31.24 C ATOM 815 NZ LYS A 55 -0.474 -2.455 -5.869 1.00 13.13 N ATOM 0 H LYS A 55 -0.288 -0.147 -0.123 1.00 44.01 H new ATOM 0 HA LYS A 55 1.805 -0.932 -2.052 1.00 73.11 H new ATOM 0 HB2 LYS A 55 -0.960 -1.707 -1.496 1.00 13.23 H new ATOM 0 HB3 LYS A 55 -0.769 -1.214 -3.166 1.00 13.23 H new ATOM 0 HG2 LYS A 55 1.400 -2.805 -2.974 1.00 41.25 H new ATOM 0 HG3 LYS A 55 0.423 -3.548 -1.724 1.00 41.25 H new ATOM 0 HD2 LYS A 55 -0.506 -4.720 -3.434 1.00 62.10 H new ATOM 0 HD3 LYS A 55 -1.449 -3.268 -3.707 1.00 62.10 H new ATOM 0 HE2 LYS A 55 1.253 -3.274 -4.957 1.00 31.24 H new ATOM 0 HE3 LYS A 55 0.136 -4.464 -5.596 1.00 31.24 H new ATOM 0 HZ1 LYS A 55 -0.309 -2.631 -6.881 1.00 13.13 H new ATOM 0 HZ2 LYS A 55 -1.496 -2.467 -5.677 1.00 13.13 H new ATOM 0 HZ3 LYS A 55 -0.085 -1.526 -5.611 1.00 13.13 H new ATOM 829 N SER A 56 0.791 0.611 -4.004 1.00 61.14 N ATOM 830 CA SER A 56 0.646 1.749 -4.906 1.00 14.20 C ATOM 831 C SER A 56 -0.461 1.487 -5.922 1.00 33.41 C ATOM 832 O SER A 56 -0.561 0.389 -6.468 1.00 61.31 O ATOM 833 CB SER A 56 1.967 2.025 -5.630 1.00 42.24 C ATOM 834 OG SER A 56 2.077 1.250 -6.812 1.00 4.04 O ATOM 0 H SER A 56 1.021 -0.267 -4.469 1.00 61.14 H new ATOM 0 HA SER A 56 0.378 2.625 -4.315 1.00 14.20 H new ATOM 0 HB2 SER A 56 2.033 3.084 -5.879 1.00 42.24 H new ATOM 0 HB3 SER A 56 2.802 1.801 -4.966 1.00 42.24 H new ATOM 0 HG SER A 56 2.929 1.447 -7.255 1.00 4.04 H new ATOM 840 N CYS A 57 -1.294 2.495 -6.177 1.00 64.24 N ATOM 841 CA CYS A 57 -2.384 2.338 -7.136 1.00 63.31 C ATOM 842 C CYS A 57 -2.442 3.519 -8.097 1.00 53.51 C ATOM 843 O CYS A 57 -1.705 4.494 -7.945 1.00 2.13 O ATOM 844 CB CYS A 57 -3.728 2.155 -6.409 1.00 44.32 C ATOM 845 SG CYS A 57 -4.668 3.686 -6.054 1.00 74.43 S ATOM 0 H CYS A 57 -1.237 3.415 -5.740 1.00 64.24 H new ATOM 0 HA CYS A 57 -2.190 1.440 -7.722 1.00 63.31 H new ATOM 0 HB2 CYS A 57 -4.357 1.498 -7.010 1.00 44.32 H new ATOM 0 HB3 CYS A 57 -3.541 1.641 -5.466 1.00 44.32 H new ATOM 850 N ARG A 58 -3.325 3.425 -9.082 1.00 31.41 N ATOM 851 CA ARG A 58 -3.481 4.488 -10.065 1.00 62.35 C ATOM 852 C ARG A 58 -4.506 5.509 -9.588 1.00 33.04 C ATOM 853 O ARG A 58 -5.653 5.165 -9.307 1.00 54.43 O ATOM 854 CB ARG A 58 -3.905 3.908 -11.417 1.00 21.10 C ATOM 855 CG ARG A 58 -3.326 2.531 -11.705 1.00 44.23 C ATOM 856 CD ARG A 58 -3.760 2.021 -13.070 1.00 3.11 C ATOM 857 NE ARG A 58 -3.014 2.654 -14.154 1.00 31.04 N ATOM 858 CZ ARG A 58 -3.214 2.394 -15.444 1.00 14.44 C ATOM 859 NH1 ARG A 58 -4.135 1.513 -15.815 1.00 70.32 N ATOM 860 NH2 ARG A 58 -2.491 3.015 -16.367 1.00 52.21 N ATOM 0 H ARG A 58 -3.943 2.625 -9.221 1.00 31.41 H new ATOM 0 HA ARG A 58 -2.520 4.988 -10.185 1.00 62.35 H new ATOM 0 HB2 ARG A 58 -4.993 3.848 -11.451 1.00 21.10 H new ATOM 0 HB3 ARG A 58 -3.599 4.593 -12.208 1.00 21.10 H new ATOM 0 HG2 ARG A 58 -2.238 2.576 -11.661 1.00 44.23 H new ATOM 0 HG3 ARG A 58 -3.648 1.831 -10.934 1.00 44.23 H new ATOM 0 HD2 ARG A 58 -3.619 0.941 -13.115 1.00 3.11 H new ATOM 0 HD3 ARG A 58 -4.825 2.209 -13.205 1.00 3.11 H new ATOM 0 HE ARG A 58 -2.297 3.336 -13.908 1.00 31.04 H new ATOM 0 HH11 ARG A 58 -4.693 1.032 -15.110 1.00 70.32 H new ATOM 0 HH12 ARG A 58 -4.284 1.317 -16.805 1.00 70.32 H new ATOM 0 HH21 ARG A 58 -1.781 3.692 -16.088 1.00 52.21 H new ATOM 0 HH22 ARG A 58 -2.645 2.815 -17.355 1.00 52.21 H new ATOM 874 N SER A 59 -4.085 6.765 -9.495 1.00 52.53 N ATOM 875 CA SER A 59 -4.968 7.834 -9.045 1.00 74.44 C ATOM 876 C SER A 59 -5.612 8.550 -10.230 1.00 41.43 C ATOM 877 O SER A 59 -6.673 9.160 -10.095 1.00 4.30 O ATOM 878 CB SER A 59 -4.191 8.834 -8.188 1.00 45.24 C ATOM 879 OG SER A 59 -4.893 9.135 -6.995 1.00 1.43 O ATOM 0 H SER A 59 -3.139 7.068 -9.725 1.00 52.53 H new ATOM 0 HA SER A 59 -5.761 7.388 -8.444 1.00 74.44 H new ATOM 0 HB2 SER A 59 -3.211 8.424 -7.944 1.00 45.24 H new ATOM 0 HB3 SER A 59 -4.021 9.749 -8.755 1.00 45.24 H new ATOM 0 HG SER A 59 -4.297 9.602 -6.373 1.00 1.43 H new ATOM 885 N ALA A 60 -4.965 8.473 -11.390 1.00 3.34 N ATOM 886 CA ALA A 60 -5.475 9.113 -12.597 1.00 12.12 C ATOM 887 C ALA A 60 -6.892 8.646 -12.921 1.00 72.42 C ATOM 888 O ALA A 60 -7.631 9.328 -13.630 1.00 55.10 O ATOM 889 CB ALA A 60 -4.547 8.839 -13.770 1.00 42.41 C ATOM 0 H ALA A 60 -4.085 7.973 -11.519 1.00 3.34 H new ATOM 0 HA ALA A 60 -5.512 10.187 -12.416 1.00 12.12 H new ATOM 0 HB1 ALA A 60 -4.939 9.322 -14.665 1.00 42.41 H new ATOM 0 HB2 ALA A 60 -3.555 9.234 -13.549 1.00 42.41 H new ATOM 0 HB3 ALA A 60 -4.480 7.764 -13.938 1.00 42.41 H new ATOM 895 N LEU A 61 -7.267 7.482 -12.397 1.00 70.34 N ATOM 896 CA LEU A 61 -8.594 6.932 -12.634 1.00 65.13 C ATOM 897 C LEU A 61 -9.401 6.909 -11.343 1.00 65.11 C ATOM 898 O LEU A 61 -10.612 7.131 -11.351 1.00 12.32 O ATOM 899 CB LEU A 61 -8.485 5.516 -13.205 1.00 64.21 C ATOM 900 CG LEU A 61 -8.059 5.438 -14.670 1.00 62.21 C ATOM 901 CD1 LEU A 61 -9.161 5.966 -15.576 1.00 64.14 C ATOM 902 CD2 LEU A 61 -6.767 6.211 -14.893 1.00 1.32 C ATOM 0 H LEU A 61 -6.670 6.904 -11.806 1.00 70.34 H new ATOM 0 HA LEU A 61 -9.106 7.568 -13.356 1.00 65.13 H new ATOM 0 HB2 LEU A 61 -7.770 4.953 -12.605 1.00 64.21 H new ATOM 0 HB3 LEU A 61 -9.451 5.022 -13.097 1.00 64.21 H new ATOM 0 HG LEU A 61 -7.881 4.392 -14.920 1.00 62.21 H new ATOM 0 HD11 LEU A 61 -8.839 5.902 -16.615 1.00 64.14 H new ATOM 0 HD12 LEU A 61 -10.063 5.369 -15.438 1.00 64.14 H new ATOM 0 HD13 LEU A 61 -9.372 7.005 -15.324 1.00 64.14 H new ATOM 0 HD21 LEU A 61 -6.479 6.144 -15.942 1.00 1.32 H new ATOM 0 HD22 LEU A 61 -6.918 7.257 -14.624 1.00 1.32 H new ATOM 0 HD23 LEU A 61 -5.978 5.787 -14.273 1.00 1.32 H new ATOM 914 N MET A 62 -8.720 6.638 -10.236 1.00 5.12 N ATOM 915 CA MET A 62 -9.371 6.584 -8.935 1.00 74.32 C ATOM 916 C MET A 62 -9.814 7.974 -8.489 1.00 42.24 C ATOM 917 O MET A 62 -10.965 8.175 -8.101 1.00 43.24 O ATOM 918 CB MET A 62 -8.429 5.977 -7.894 1.00 42.54 C ATOM 919 CG MET A 62 -8.135 4.505 -8.124 1.00 24.05 C ATOM 920 SD MET A 62 -9.613 3.477 -8.019 1.00 44.21 S ATOM 921 CE MET A 62 -9.937 3.169 -9.754 1.00 45.45 C ATOM 0 H MET A 62 -7.717 6.452 -10.214 1.00 5.12 H new ATOM 0 HA MET A 62 -10.255 5.953 -9.026 1.00 74.32 H new ATOM 0 HB2 MET A 62 -7.490 6.531 -7.899 1.00 42.54 H new ATOM 0 HB3 MET A 62 -8.867 6.101 -6.904 1.00 42.54 H new ATOM 0 HG2 MET A 62 -7.678 4.379 -9.106 1.00 24.05 H new ATOM 0 HG3 MET A 62 -7.407 4.164 -7.388 1.00 24.05 H new ATOM 0 HE1 MET A 62 -10.966 2.832 -9.878 1.00 45.45 H new ATOM 0 HE2 MET A 62 -9.785 4.087 -10.321 1.00 45.45 H new ATOM 0 HE3 MET A 62 -9.257 2.400 -10.120 1.00 45.45 H new ATOM 931 N GLU A 63 -8.893 8.930 -8.548 1.00 3.04 N ATOM 932 CA GLU A 63 -9.190 10.301 -8.150 1.00 74.33 C ATOM 933 C GLU A 63 -8.276 11.287 -8.873 1.00 21.00 C ATOM 934 O GLU A 63 -7.195 11.619 -8.386 1.00 12.42 O ATOM 935 CB GLU A 63 -9.036 10.462 -6.637 1.00 2.00 C ATOM 936 CG GLU A 63 -7.687 9.998 -6.110 1.00 1.04 C ATOM 937 CD GLU A 63 -7.765 8.659 -5.403 1.00 52.00 C ATOM 938 OE1 GLU A 63 -8.748 7.923 -5.633 1.00 61.50 O ATOM 939 OE2 GLU A 63 -6.844 8.346 -4.620 1.00 34.25 O ATOM 0 H GLU A 63 -7.936 8.781 -8.867 1.00 3.04 H new ATOM 0 HA GLU A 63 -10.222 10.517 -8.427 1.00 74.33 H new ATOM 0 HB2 GLU A 63 -9.178 11.511 -6.375 1.00 2.00 H new ATOM 0 HB3 GLU A 63 -9.825 9.899 -6.138 1.00 2.00 H new ATOM 0 HG2 GLU A 63 -6.983 9.926 -6.939 1.00 1.04 H new ATOM 0 HG3 GLU A 63 -7.294 10.746 -5.421 1.00 1.04 H new ATOM 946 N GLN A 64 -8.718 11.751 -10.037 1.00 63.01 N ATOM 947 CA GLN A 64 -7.940 12.699 -10.828 1.00 12.32 C ATOM 948 C GLN A 64 -8.675 14.029 -10.960 1.00 51.11 C ATOM 949 O GLN A 64 -9.897 14.063 -11.101 1.00 44.52 O ATOM 950 CB GLN A 64 -7.652 12.122 -12.215 1.00 13.05 C ATOM 951 CG GLN A 64 -6.417 12.714 -12.875 1.00 33.12 C ATOM 952 CD GLN A 64 -6.468 12.629 -14.388 1.00 42.03 C ATOM 953 OE1 GLN A 64 -5.918 11.706 -14.989 1.00 0.22 O ATOM 954 NE2 GLN A 64 -7.130 13.596 -15.012 1.00 75.32 N ATOM 0 H GLN A 64 -9.611 11.486 -10.454 1.00 63.01 H new ATOM 0 HA GLN A 64 -6.996 12.876 -10.313 1.00 12.32 H new ATOM 0 HB2 GLN A 64 -7.527 11.042 -12.132 1.00 13.05 H new ATOM 0 HB3 GLN A 64 -8.515 12.294 -12.858 1.00 13.05 H new ATOM 0 HG2 GLN A 64 -6.315 13.757 -12.577 1.00 33.12 H new ATOM 0 HG3 GLN A 64 -5.531 12.191 -12.515 1.00 33.12 H new ATOM 0 HE21 GLN A 64 -7.571 14.342 -14.474 1.00 75.32 H new ATOM 0 HE22 GLN A 64 -7.198 13.593 -16.030 1.00 75.32 H new ATOM 963 N ARG A 65 -7.921 15.122 -10.914 1.00 1.31 N ATOM 964 CA ARG A 65 -8.501 16.455 -11.028 1.00 12.02 C ATOM 965 C ARG A 65 -8.508 16.922 -12.480 1.00 24.24 C ATOM 966 O ARG A 65 -7.684 16.413 -13.269 1.00 37.68 O ATOM 967 CB ARG A 65 -7.722 17.449 -10.165 1.00 33.23 C ATOM 968 CG ARG A 65 -6.219 17.402 -10.387 1.00 14.11 C ATOM 969 CD ARG A 65 -5.524 16.565 -9.326 1.00 62.15 C ATOM 970 NE ARG A 65 -4.240 17.137 -8.932 1.00 3.32 N ATOM 971 CZ ARG A 65 -3.122 17.011 -9.645 1.00 41.20 C ATOM 972 NH1 ARG A 65 -3.128 16.335 -10.787 1.00 75.33 N ATOM 973 NH2 ARG A 65 -1.996 17.563 -9.214 1.00 31.30 N ATOM 974 OXT ARG A 65 -9.336 17.794 -12.817 1.00 37.68 O ATOM 0 H ARG A 65 -6.908 15.111 -10.799 1.00 1.31 H new ATOM 0 HA ARG A 65 -9.531 16.407 -10.675 1.00 12.02 H new ATOM 0 HB2 ARG A 65 -8.080 18.457 -10.374 1.00 33.23 H new ATOM 0 HB3 ARG A 65 -7.932 17.248 -9.115 1.00 33.23 H new ATOM 0 HG2 ARG A 65 -6.009 16.988 -11.373 1.00 14.11 H new ATOM 0 HG3 ARG A 65 -5.817 18.415 -10.374 1.00 14.11 H new ATOM 0 HD2 ARG A 65 -6.168 16.482 -8.450 1.00 62.15 H new ATOM 0 HD3 ARG A 65 -5.370 15.555 -9.705 1.00 62.15 H new ATOM 0 HE ARG A 65 -4.196 17.664 -8.060 1.00 3.32 H new ATOM 0 HH11 ARG A 65 -3.992 15.909 -11.123 1.00 75.33 H new ATOM 0 HH12 ARG A 65 -2.269 16.242 -11.329 1.00 75.33 H new ATOM 0 HH21 ARG A 65 -1.986 18.084 -8.337 1.00 31.30 H new ATOM 0 HH22 ARG A 65 -1.139 17.467 -9.759 1.00 31.30 H new TER 988 ARG A 65