USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 634 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 40 SER OG : rot 17:sc= 0.267! USER MOD Set 1.2: A 43 TYR OH : rot 79:sc= -0.292 USER MOD Set 2.1: A 14 LYS NZ :NH3+ 179:sc= -1.98! (180deg=-2.85!) USER MOD Set 2.2: A 17 SER OG : rot 61:sc= -2.21! USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -19.5! C(o=-20!,f=-18!) USER MOD Single : A 9 THR OG1 : rot -80:sc= 0.652 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 57:sc= 1.29 USER MOD Single : A 22 LYS NZ :NH3+ 163:sc= -0.14 (180deg=-0.493) USER MOD Single : A 24 THR OG1 : rot 6:sc= 0.00834 USER MOD Single : A 26 THR OG1 : rot 99:sc= 1.05 USER MOD Single : A 28 ASN : amide:sc= -0.0695 X(o=-0.07,f=-0.45) USER MOD Single : A 30 ASN : amide:sc= -11.7! C(o=-12!,f=-12!) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.0933 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 180:sc=-0.00253 USER MOD Single : A 39 GLN : amide:sc= -0.114 X(o=-0.11,f=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -29! C(o=-29!,f=-31!) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0156 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot -63:sc= 0.214 USER MOD Single : A 48 ASN : amide:sc= -0.315 X(o=-0.32,f=-0.45) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.776 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.164 K(o=-0.16,f=-2.3!) USER MOD Single : A 59 THR OG1 : rot -71:sc= 0.442 USER MOD Single : A 63 ASN : amide:sc= -1.86 K(o=-1.9,f=-0.35) USER MOD Single : A 64 THR OG1 : rot -81:sc= 1.15 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.00877 USER MOD Single : A 66 LYS NZ :NH3+ -177:sc= -7.65! (180deg=-7.75!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 104:sc= 0.966 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ -135:sc= 0.645 (180deg=-0.724!) USER MOD Single : A 78 ASN : amide:sc= -5.98! C(o=-6!,f=-11!) USER MOD Single : A 80 LYS NZ :NH3+ 155:sc= -1.34! (180deg=-2.28!) USER MOD Single : A 82 THR OG1 : rot 80:sc= 1.23 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 37 N ASP A 3 -6.180 16.820 -5.778 1.00 0.00 N ATOM 38 CA ASP A 3 -7.047 15.655 -5.664 1.00 0.00 C ATOM 39 C ASP A 3 -6.398 14.422 -6.292 1.00 0.00 C ATOM 40 O ASP A 3 -6.660 14.095 -7.451 1.00 0.00 O ATOM 41 CB ASP A 3 -8.394 15.928 -6.324 1.00 0.00 C ATOM 42 CG ASP A 3 -9.548 15.853 -5.343 1.00 0.00 C ATOM 43 OD1 ASP A 3 -9.815 14.748 -4.827 1.00 0.00 O ATOM 44 OD2 ASP A 3 -10.182 16.900 -5.093 1.00 0.00 O ATOM 0 HA ASP A 3 -7.204 15.457 -4.604 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -8.376 16.916 -6.784 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -8.555 15.207 -7.125 1.00 0.00 H new ATOM 49 N PRO A 4 -5.544 13.720 -5.532 1.00 0.00 N ATOM 50 CA PRO A 4 -4.861 12.515 -6.014 1.00 0.00 C ATOM 51 C PRO A 4 -5.810 11.329 -6.113 1.00 0.00 C ATOM 52 O PRO A 4 -6.702 11.170 -5.280 1.00 0.00 O ATOM 53 CB PRO A 4 -3.797 12.264 -4.946 1.00 0.00 C ATOM 54 CG PRO A 4 -4.364 12.856 -3.703 1.00 0.00 C ATOM 55 CD PRO A 4 -5.182 14.041 -4.140 1.00 0.00 C ATOM 0 HA PRO A 4 -4.452 12.642 -7.016 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -3.602 11.199 -4.824 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -2.850 12.733 -5.212 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -4.981 12.131 -3.172 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -3.571 13.160 -3.020 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -6.066 14.170 -3.516 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -4.611 14.967 -4.078 1.00 0.00 H new ATOM 63 N THR A 5 -5.623 10.494 -7.134 1.00 0.00 N ATOM 64 CA THR A 5 -6.487 9.335 -7.317 1.00 0.00 C ATOM 65 C THR A 5 -5.675 8.057 -7.497 1.00 0.00 C ATOM 66 O THR A 5 -4.892 7.938 -8.437 1.00 0.00 O ATOM 67 CB THR A 5 -7.407 9.541 -8.520 1.00 0.00 C ATOM 68 OG1 THR A 5 -7.707 10.913 -8.692 1.00 0.00 O ATOM 69 CG2 THR A 5 -8.717 8.793 -8.404 1.00 0.00 C ATOM 0 H THR A 5 -4.891 10.598 -7.837 1.00 0.00 H new ATOM 0 HA THR A 5 -7.092 9.229 -6.416 1.00 0.00 H new ATOM 0 HB THR A 5 -6.858 9.148 -9.376 1.00 0.00 H new ATOM 0 HG1 THR A 5 -8.295 11.024 -9.468 1.00 0.00 H new ATOM 0 HG21 THR A 5 -9.323 8.982 -9.290 1.00 0.00 H new ATOM 0 HG22 THR A 5 -8.520 7.724 -8.320 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.253 9.133 -7.518 1.00 0.00 H new ATOM 77 N ILE A 6 -5.857 7.101 -6.592 1.00 0.00 N ATOM 78 CA ILE A 6 -5.134 5.853 -6.668 1.00 0.00 C ATOM 79 C ILE A 6 -5.910 4.696 -6.043 1.00 0.00 C ATOM 80 O ILE A 6 -7.086 4.821 -5.703 1.00 0.00 O ATOM 81 CB ILE A 6 -3.766 5.972 -5.978 1.00 0.00 C ATOM 82 CG1 ILE A 6 -3.907 5.891 -4.458 1.00 0.00 C ATOM 83 CG2 ILE A 6 -3.080 7.268 -6.379 1.00 0.00 C ATOM 84 CD1 ILE A 6 -2.579 5.892 -3.730 1.00 0.00 C ATOM 0 H ILE A 6 -6.499 7.173 -5.802 1.00 0.00 H new ATOM 0 HA ILE A 6 -4.996 5.639 -7.728 1.00 0.00 H new ATOM 0 HB ILE A 6 -3.150 5.134 -6.305 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -4.504 6.734 -4.110 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -4.454 4.985 -4.199 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -2.113 7.337 -5.882 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -2.935 7.284 -7.459 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -3.700 8.114 -6.084 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.753 5.833 -2.656 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.988 5.034 -4.050 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -2.039 6.810 -3.960 1.00 0.00 H new ATOM 96 N ASN A 7 -5.221 3.569 -5.904 1.00 0.00 N ATOM 97 CA ASN A 7 -5.786 2.352 -5.329 1.00 0.00 C ATOM 98 C ASN A 7 -6.688 2.640 -4.137 1.00 0.00 C ATOM 99 O ASN A 7 -6.717 3.749 -3.608 1.00 0.00 O ATOM 100 CB ASN A 7 -4.653 1.419 -4.904 1.00 0.00 C ATOM 101 CG ASN A 7 -3.780 2.034 -3.826 1.00 0.00 C ATOM 102 OD1 ASN A 7 -3.806 1.606 -2.673 1.00 0.00 O ATOM 103 ND2 ASN A 7 -2.999 3.046 -4.192 1.00 0.00 N ATOM 0 H ASN A 7 -4.246 3.473 -6.189 1.00 0.00 H new ATOM 0 HA ASN A 7 -6.401 1.879 -6.095 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -5.073 0.482 -4.538 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -4.040 1.176 -5.772 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -2.393 3.496 -3.506 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -3.006 3.372 -5.158 1.00 0.00 H new ATOM 110 N PRO A 8 -7.445 1.617 -3.711 1.00 0.00 N ATOM 111 CA PRO A 8 -8.372 1.727 -2.588 1.00 0.00 C ATOM 112 C PRO A 8 -7.687 2.170 -1.301 1.00 0.00 C ATOM 113 O PRO A 8 -6.692 2.895 -1.335 1.00 0.00 O ATOM 114 CB PRO A 8 -8.937 0.309 -2.438 1.00 0.00 C ATOM 115 CG PRO A 8 -8.727 -0.322 -3.766 1.00 0.00 C ATOM 116 CD PRO A 8 -7.462 0.270 -4.306 1.00 0.00 C ATOM 0 HA PRO A 8 -9.135 2.483 -2.773 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -8.421 -0.242 -1.652 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -9.994 0.330 -2.172 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -8.644 -1.405 -3.675 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -9.567 -0.122 -4.431 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.588 -0.311 -4.013 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -7.468 0.310 -5.395 1.00 0.00 H new ATOM 124 N THR A 9 -8.230 1.741 -0.166 1.00 0.00 N ATOM 125 CA THR A 9 -7.669 2.109 1.122 1.00 0.00 C ATOM 126 C THR A 9 -7.846 0.997 2.160 1.00 0.00 C ATOM 127 O THR A 9 -7.511 1.178 3.331 1.00 0.00 O ATOM 128 CB THR A 9 -8.330 3.403 1.616 1.00 0.00 C ATOM 129 OG1 THR A 9 -7.855 4.515 0.882 1.00 0.00 O ATOM 130 CG2 THR A 9 -8.099 3.694 3.084 1.00 0.00 C ATOM 0 H THR A 9 -9.054 1.141 -0.115 1.00 0.00 H new ATOM 0 HA THR A 9 -6.598 2.266 0.992 1.00 0.00 H new ATOM 0 HB THR A 9 -9.398 3.246 1.466 1.00 0.00 H new ATOM 0 HG1 THR A 9 -6.984 4.792 1.235 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.598 4.625 3.353 1.00 0.00 H new ATOM 0 HG22 THR A 9 -8.502 2.879 3.684 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.030 3.788 3.272 1.00 0.00 H new ATOM 138 N SER A 10 -8.373 -0.148 1.745 1.00 0.00 N ATOM 139 CA SER A 10 -8.581 -1.249 2.679 1.00 0.00 C ATOM 140 C SER A 10 -8.319 -2.615 2.047 1.00 0.00 C ATOM 141 O SER A 10 -8.812 -2.920 0.961 1.00 0.00 O ATOM 142 CB SER A 10 -10.006 -1.204 3.233 1.00 0.00 C ATOM 143 OG SER A 10 -10.942 -1.666 2.275 1.00 0.00 O ATOM 0 H SER A 10 -8.660 -0.338 0.785 1.00 0.00 H new ATOM 0 HA SER A 10 -7.860 -1.121 3.486 1.00 0.00 H new ATOM 0 HB2 SER A 10 -10.069 -1.817 4.132 1.00 0.00 H new ATOM 0 HB3 SER A 10 -10.254 -0.183 3.525 1.00 0.00 H new ATOM 0 HG SER A 10 -11.845 -1.629 2.655 1.00 0.00 H new ATOM 149 N ILE A 11 -7.553 -3.431 2.761 1.00 0.00 N ATOM 150 CA ILE A 11 -7.219 -4.784 2.321 1.00 0.00 C ATOM 151 C ILE A 11 -6.688 -5.605 3.494 1.00 0.00 C ATOM 152 O ILE A 11 -6.031 -5.068 4.386 1.00 0.00 O ATOM 153 CB ILE A 11 -6.167 -4.780 1.189 1.00 0.00 C ATOM 154 CG1 ILE A 11 -5.696 -6.206 0.890 1.00 0.00 C ATOM 155 CG2 ILE A 11 -4.992 -3.895 1.560 1.00 0.00 C ATOM 156 CD1 ILE A 11 -5.311 -6.423 -0.551 1.00 0.00 C ATOM 0 H ILE A 11 -7.145 -3.176 3.660 1.00 0.00 H new ATOM 0 HA ILE A 11 -8.135 -5.231 1.935 1.00 0.00 H new ATOM 0 HB ILE A 11 -6.629 -4.376 0.288 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.841 -6.438 1.525 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -6.489 -6.905 1.155 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.261 -3.904 0.752 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.341 -2.875 1.722 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -4.529 -4.269 2.473 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.988 -7.455 -0.690 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.170 -6.223 -1.191 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.496 -5.749 -0.815 1.00 0.00 H new ATOM 168 N SER A 12 -6.976 -6.904 3.499 1.00 0.00 N ATOM 169 CA SER A 12 -6.518 -7.772 4.583 1.00 0.00 C ATOM 170 C SER A 12 -6.135 -9.156 4.083 1.00 0.00 C ATOM 171 O SER A 12 -6.857 -9.779 3.303 1.00 0.00 O ATOM 172 CB SER A 12 -7.590 -7.897 5.662 1.00 0.00 C ATOM 173 OG SER A 12 -8.746 -7.149 5.328 1.00 0.00 O ATOM 0 H SER A 12 -7.518 -7.375 2.775 1.00 0.00 H new ATOM 0 HA SER A 12 -5.627 -7.307 5.006 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.858 -8.946 5.792 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.192 -7.549 6.615 1.00 0.00 H new ATOM 0 HG SER A 12 -9.416 -7.249 6.036 1.00 0.00 H new ATOM 179 N ALA A 13 -4.994 -9.634 4.561 1.00 0.00 N ATOM 180 CA ALA A 13 -4.484 -10.946 4.201 1.00 0.00 C ATOM 181 C ALA A 13 -3.276 -11.290 5.061 1.00 0.00 C ATOM 182 O ALA A 13 -2.646 -10.403 5.642 1.00 0.00 O ATOM 183 CB ALA A 13 -4.124 -10.991 2.723 1.00 0.00 C ATOM 0 H ALA A 13 -4.397 -9.121 5.210 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.262 -11.688 4.382 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.744 -11.981 2.471 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -5.011 -10.780 2.126 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.359 -10.244 2.512 1.00 0.00 H new ATOM 189 N LYS A 14 -2.939 -12.568 5.133 1.00 0.00 N ATOM 190 CA LYS A 14 -1.799 -12.996 5.902 1.00 0.00 C ATOM 191 C LYS A 14 -0.517 -12.544 5.216 1.00 0.00 C ATOM 192 O LYS A 14 -0.484 -12.366 3.996 1.00 0.00 O ATOM 193 CB LYS A 14 -1.802 -14.514 6.084 1.00 0.00 C ATOM 194 CG LYS A 14 -2.707 -15.296 5.143 1.00 0.00 C ATOM 195 CD LYS A 14 -2.193 -16.714 4.949 1.00 0.00 C ATOM 196 CE LYS A 14 -1.110 -16.780 3.878 1.00 0.00 C ATOM 197 NZ LYS A 14 -0.243 -15.568 3.862 1.00 0.00 N ATOM 0 H LYS A 14 -3.444 -13.321 4.665 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.854 -12.540 6.891 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.782 -14.877 5.960 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.098 -14.737 7.109 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -3.720 -15.324 5.546 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.761 -14.789 4.179 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.795 -17.089 5.892 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.021 -17.366 4.670 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -0.492 -17.662 4.046 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.578 -16.900 2.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 0.486 -15.672 3.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.823 -14.729 3.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 0.214 -15.456 4.790 1.00 0.00 H new ATOM 211 N ALA A 15 0.532 -12.337 5.990 1.00 0.00 N ATOM 212 CA ALA A 15 1.787 -11.887 5.420 1.00 0.00 C ATOM 213 C ALA A 15 2.334 -12.889 4.431 1.00 0.00 C ATOM 214 O ALA A 15 2.876 -13.933 4.796 1.00 0.00 O ATOM 215 CB ALA A 15 2.809 -11.582 6.505 1.00 0.00 C ATOM 0 H ALA A 15 0.541 -12.471 7.001 1.00 0.00 H new ATOM 0 HA ALA A 15 1.586 -10.962 4.880 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.739 -11.247 6.045 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.424 -10.798 7.158 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.997 -12.482 7.091 1.00 0.00 H new ATOM 221 N GLY A 16 2.176 -12.546 3.169 1.00 0.00 N ATOM 222 CA GLY A 16 2.631 -13.388 2.095 1.00 0.00 C ATOM 223 C GLY A 16 1.547 -13.608 1.073 1.00 0.00 C ATOM 224 O GLY A 16 1.811 -13.687 -0.113 1.00 0.00 O ATOM 0 H GLY A 16 1.731 -11.680 2.866 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.498 -12.933 1.616 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.956 -14.348 2.496 1.00 0.00 H new ATOM 228 N SER A 17 0.305 -13.659 1.529 1.00 0.00 N ATOM 229 CA SER A 17 -0.805 -13.855 0.632 1.00 0.00 C ATOM 230 C SER A 17 -0.994 -12.635 -0.252 1.00 0.00 C ATOM 231 O SER A 17 -1.950 -12.541 -1.024 1.00 0.00 O ATOM 232 CB SER A 17 -2.058 -14.097 1.457 1.00 0.00 C ATOM 233 OG SER A 17 -1.813 -13.869 2.831 1.00 0.00 O ATOM 0 H SER A 17 0.049 -13.567 2.512 1.00 0.00 H new ATOM 0 HA SER A 17 -0.609 -14.714 -0.010 1.00 0.00 H new ATOM 0 HB2 SER A 17 -2.857 -13.440 1.113 1.00 0.00 H new ATOM 0 HB3 SER A 17 -2.402 -15.121 1.310 1.00 0.00 H new ATOM 0 HG SER A 17 -1.542 -12.937 2.965 1.00 0.00 H new ATOM 239 N PHE A 18 -0.066 -11.706 -0.148 1.00 0.00 N ATOM 240 CA PHE A 18 -0.116 -10.505 -0.920 1.00 0.00 C ATOM 241 C PHE A 18 0.813 -10.601 -2.102 1.00 0.00 C ATOM 242 O PHE A 18 1.920 -10.065 -2.079 1.00 0.00 O ATOM 243 CB PHE A 18 0.270 -9.344 -0.035 1.00 0.00 C ATOM 244 CG PHE A 18 -0.624 -9.174 1.151 1.00 0.00 C ATOM 245 CD1 PHE A 18 -0.376 -9.882 2.313 1.00 0.00 C ATOM 246 CD2 PHE A 18 -1.704 -8.309 1.114 1.00 0.00 C ATOM 247 CE1 PHE A 18 -1.184 -9.732 3.419 1.00 0.00 C ATOM 248 CE2 PHE A 18 -2.517 -8.153 2.219 1.00 0.00 C ATOM 249 CZ PHE A 18 -2.256 -8.866 3.373 1.00 0.00 C ATOM 0 H PHE A 18 0.738 -11.772 0.476 1.00 0.00 H new ATOM 0 HA PHE A 18 -1.126 -10.354 -1.301 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.294 -9.485 0.310 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.256 -8.428 -0.625 1.00 0.00 H new ATOM 0 HD1 PHE A 18 0.462 -10.562 2.354 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -1.913 -7.751 0.213 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.978 -10.291 4.320 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -3.356 -7.474 2.181 1.00 0.00 H new ATOM 0 HZ PHE A 18 -2.891 -8.745 4.238 1.00 0.00 H new ATOM 259 N ALA A 19 0.362 -11.289 -3.132 1.00 0.00 N ATOM 260 CA ALA A 19 1.172 -11.457 -4.328 1.00 0.00 C ATOM 261 C ALA A 19 1.328 -10.120 -5.038 1.00 0.00 C ATOM 262 O ALA A 19 0.523 -9.210 -4.835 1.00 0.00 O ATOM 263 CB ALA A 19 0.541 -12.484 -5.256 1.00 0.00 C ATOM 0 H ALA A 19 -0.553 -11.738 -3.168 1.00 0.00 H new ATOM 0 HA ALA A 19 2.159 -11.819 -4.040 1.00 0.00 H new ATOM 0 HB1 ALA A 19 1.159 -12.598 -6.146 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.466 -13.442 -4.741 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.455 -12.149 -5.546 1.00 0.00 H new ATOM 269 N ASP A 20 2.373 -9.994 -5.853 1.00 0.00 N ATOM 270 CA ASP A 20 2.635 -8.748 -6.573 1.00 0.00 C ATOM 271 C ASP A 20 1.326 -8.066 -6.947 1.00 0.00 C ATOM 272 O ASP A 20 0.508 -8.626 -7.679 1.00 0.00 O ATOM 273 CB ASP A 20 3.461 -9.023 -7.831 1.00 0.00 C ATOM 274 CG ASP A 20 3.666 -7.779 -8.671 1.00 0.00 C ATOM 275 OD1 ASP A 20 2.737 -7.406 -9.419 1.00 0.00 O ATOM 276 OD2 ASP A 20 4.756 -7.174 -8.581 1.00 0.00 O ATOM 0 H ASP A 20 3.050 -10.736 -6.032 1.00 0.00 H new ATOM 0 HA ASP A 20 3.202 -8.085 -5.919 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.431 -9.428 -7.544 1.00 0.00 H new ATOM 0 HB3 ASP A 20 2.962 -9.785 -8.430 1.00 0.00 H new ATOM 281 N THR A 21 1.120 -6.863 -6.419 1.00 0.00 N ATOM 282 CA THR A 21 -0.101 -6.123 -6.681 1.00 0.00 C ATOM 283 C THR A 21 0.198 -4.736 -7.219 1.00 0.00 C ATOM 284 O THR A 21 0.906 -3.952 -6.589 1.00 0.00 O ATOM 285 CB THR A 21 -0.937 -6.016 -5.406 1.00 0.00 C ATOM 286 OG1 THR A 21 -1.314 -7.300 -4.943 1.00 0.00 O ATOM 287 CG2 THR A 21 -2.200 -5.204 -5.587 1.00 0.00 C ATOM 0 H THR A 21 1.783 -6.385 -5.809 1.00 0.00 H new ATOM 0 HA THR A 21 -0.665 -6.667 -7.439 1.00 0.00 H new ATOM 0 HB THR A 21 -0.298 -5.509 -4.683 1.00 0.00 H new ATOM 0 HG1 THR A 21 -0.512 -7.843 -4.794 1.00 0.00 H new ATOM 0 HG21 THR A 21 -2.747 -5.167 -4.645 1.00 0.00 H new ATOM 0 HG22 THR A 21 -1.940 -4.191 -5.896 1.00 0.00 H new ATOM 0 HG23 THR A 21 -2.824 -5.667 -6.351 1.00 0.00 H new ATOM 295 N LYS A 22 -0.337 -4.442 -8.390 1.00 0.00 N ATOM 296 CA LYS A 22 -0.133 -3.159 -9.017 1.00 0.00 C ATOM 297 C LYS A 22 -1.118 -2.131 -8.485 1.00 0.00 C ATOM 298 O LYS A 22 -2.053 -2.460 -7.753 1.00 0.00 O ATOM 299 CB LYS A 22 -0.258 -3.265 -10.542 1.00 0.00 C ATOM 300 CG LYS A 22 -0.819 -4.589 -11.037 1.00 0.00 C ATOM 301 CD LYS A 22 -0.924 -4.618 -12.553 1.00 0.00 C ATOM 302 CE LYS A 22 -2.367 -4.482 -13.014 1.00 0.00 C ATOM 303 NZ LYS A 22 -3.058 -3.345 -12.347 1.00 0.00 N ATOM 0 H LYS A 22 -0.920 -5.084 -8.926 1.00 0.00 H new ATOM 0 HA LYS A 22 0.878 -2.832 -8.774 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.897 -2.458 -10.899 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.726 -3.113 -10.986 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.180 -5.405 -10.700 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.804 -4.754 -10.600 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.328 -3.809 -12.976 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.507 -5.552 -12.930 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.391 -4.338 -14.094 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -2.904 -5.407 -12.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -3.919 -3.103 -12.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.314 -3.616 -11.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -2.424 -2.521 -12.320 1.00 0.00 H new ATOM 317 N ILE A 23 -0.880 -0.887 -8.850 1.00 0.00 N ATOM 318 CA ILE A 23 -1.709 0.219 -8.413 1.00 0.00 C ATOM 319 C ILE A 23 -1.589 1.399 -9.378 1.00 0.00 C ATOM 320 O ILE A 23 -0.642 1.483 -10.159 1.00 0.00 O ATOM 321 CB ILE A 23 -1.309 0.660 -6.998 1.00 0.00 C ATOM 322 CG1 ILE A 23 -1.881 -0.306 -5.967 1.00 0.00 C ATOM 323 CG2 ILE A 23 -1.756 2.087 -6.711 1.00 0.00 C ATOM 324 CD1 ILE A 23 -1.698 0.139 -4.533 1.00 0.00 C ATOM 0 H ILE A 23 -0.107 -0.614 -9.457 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.746 -0.118 -8.401 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.221 0.641 -6.931 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.945 -0.439 -6.161 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.409 -1.280 -6.097 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.456 2.366 -5.701 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.292 2.765 -7.427 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.840 2.153 -6.799 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.132 -0.603 -3.863 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.635 0.244 -4.317 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -2.195 1.098 -4.383 1.00 0.00 H new ATOM 336 N THR A 24 -2.557 2.310 -9.316 1.00 0.00 N ATOM 337 CA THR A 24 -2.556 3.483 -10.180 1.00 0.00 C ATOM 338 C THR A 24 -2.312 4.753 -9.373 1.00 0.00 C ATOM 339 O THR A 24 -3.107 5.110 -8.506 1.00 0.00 O ATOM 340 CB THR A 24 -3.883 3.588 -10.931 1.00 0.00 C ATOM 341 OG1 THR A 24 -3.784 4.508 -12.004 1.00 0.00 O ATOM 342 CG2 THR A 24 -5.036 4.031 -10.054 1.00 0.00 C ATOM 0 H THR A 24 -3.350 2.257 -8.677 1.00 0.00 H new ATOM 0 HA THR A 24 -1.746 3.373 -10.901 1.00 0.00 H new ATOM 0 HB THR A 24 -4.087 2.580 -11.292 1.00 0.00 H new ATOM 0 HG1 THR A 24 -2.856 4.810 -12.092 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.947 4.085 -10.650 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.174 3.314 -9.245 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.818 5.014 -9.635 1.00 0.00 H new ATOM 350 N LEU A 25 -1.209 5.432 -9.662 1.00 0.00 N ATOM 351 CA LEU A 25 -0.862 6.660 -8.961 1.00 0.00 C ATOM 352 C LEU A 25 -1.283 7.885 -9.773 1.00 0.00 C ATOM 353 O LEU A 25 -0.443 8.558 -10.364 1.00 0.00 O ATOM 354 CB LEU A 25 0.640 6.692 -8.708 1.00 0.00 C ATOM 355 CG LEU A 25 1.056 6.620 -7.241 1.00 0.00 C ATOM 356 CD1 LEU A 25 2.271 5.722 -7.076 1.00 0.00 C ATOM 357 CD2 LEU A 25 1.341 8.011 -6.705 1.00 0.00 C ATOM 0 H LEU A 25 -0.539 5.152 -10.378 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.393 6.684 -8.009 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.099 5.859 -9.240 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.045 7.608 -9.139 1.00 0.00 H new ATOM 0 HG LEU A 25 0.234 6.191 -6.667 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.554 5.682 -6.024 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.031 4.718 -7.426 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.100 6.121 -7.660 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.636 7.944 -5.658 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.147 8.465 -7.281 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.444 8.625 -6.790 1.00 0.00 H new ATOM 369 N THR A 26 -2.584 8.170 -9.798 1.00 0.00 N ATOM 370 CA THR A 26 -3.097 9.314 -10.550 1.00 0.00 C ATOM 371 C THR A 26 -2.666 10.627 -9.902 1.00 0.00 C ATOM 372 O THR A 26 -3.144 10.991 -8.823 1.00 0.00 O ATOM 373 CB THR A 26 -4.622 9.256 -10.650 1.00 0.00 C ATOM 374 OG1 THR A 26 -5.065 7.923 -10.831 1.00 0.00 O ATOM 375 CG2 THR A 26 -5.176 10.083 -11.792 1.00 0.00 C ATOM 0 H THR A 26 -3.298 7.629 -9.310 1.00 0.00 H new ATOM 0 HA THR A 26 -2.678 9.268 -11.555 1.00 0.00 H new ATOM 0 HB THR A 26 -4.989 9.668 -9.710 1.00 0.00 H new ATOM 0 HG1 THR A 26 -5.357 7.556 -9.971 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.263 9.999 -11.808 1.00 0.00 H new ATOM 0 HG22 THR A 26 -4.894 11.127 -11.655 1.00 0.00 H new ATOM 0 HG23 THR A 26 -4.770 9.718 -12.736 1.00 0.00 H new ATOM 383 N PRO A 27 -1.742 11.348 -10.575 1.00 0.00 N ATOM 384 CA PRO A 27 -1.200 12.626 -10.112 1.00 0.00 C ATOM 385 C PRO A 27 -1.936 13.816 -10.693 1.00 0.00 C ATOM 386 O PRO A 27 -1.521 14.950 -10.512 1.00 0.00 O ATOM 387 CB PRO A 27 0.191 12.564 -10.691 1.00 0.00 C ATOM 388 CG PRO A 27 -0.031 11.973 -12.038 1.00 0.00 C ATOM 389 CD PRO A 27 -1.139 10.967 -11.867 1.00 0.00 C ATOM 0 HA PRO A 27 -1.266 12.755 -9.032 1.00 0.00 H new ATOM 0 HB2 PRO A 27 0.646 13.553 -10.754 1.00 0.00 H new ATOM 0 HB3 PRO A 27 0.853 11.947 -10.084 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -0.308 12.740 -12.761 1.00 0.00 H new ATOM 0 HG3 PRO A 27 0.876 11.496 -12.410 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -1.862 11.022 -12.681 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -0.757 9.946 -11.848 1.00 0.00 H new ATOM 397 N ASN A 28 -3.000 13.508 -11.423 1.00 0.00 N ATOM 398 CA ASN A 28 -3.843 14.466 -12.112 1.00 0.00 C ATOM 399 C ASN A 28 -4.019 15.733 -11.308 1.00 0.00 C ATOM 400 O ASN A 28 -5.103 16.062 -10.827 1.00 0.00 O ATOM 401 CB ASN A 28 -5.207 13.842 -12.399 1.00 0.00 C ATOM 402 CG ASN A 28 -5.625 14.001 -13.849 1.00 0.00 C ATOM 403 OD1 ASN A 28 -4.819 13.821 -14.762 1.00 0.00 O ATOM 404 ND2 ASN A 28 -6.889 14.344 -14.067 1.00 0.00 N ATOM 0 H ASN A 28 -3.308 12.545 -11.554 1.00 0.00 H new ATOM 0 HA ASN A 28 -3.353 14.730 -13.049 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -5.178 12.782 -12.147 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -5.956 14.303 -11.756 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -7.226 14.468 -15.022 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -7.523 14.483 -13.280 1.00 0.00 H new ATOM 411 N GLY A 29 -2.914 16.421 -11.186 1.00 0.00 N ATOM 412 CA GLY A 29 -2.866 17.673 -10.451 1.00 0.00 C ATOM 413 C GLY A 29 -1.964 17.597 -9.236 1.00 0.00 C ATOM 414 O GLY A 29 -1.393 18.599 -8.807 1.00 0.00 O ATOM 0 H GLY A 29 -2.021 16.137 -11.589 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -2.514 18.465 -11.112 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -3.873 17.944 -10.135 1.00 0.00 H new ATOM 418 N ASN A 30 -1.839 16.397 -8.692 1.00 0.00 N ATOM 419 CA ASN A 30 -1.009 16.154 -7.522 1.00 0.00 C ATOM 420 C ASN A 30 0.254 15.400 -7.902 1.00 0.00 C ATOM 421 O ASN A 30 0.367 14.860 -9.002 1.00 0.00 O ATOM 422 CB ASN A 30 -1.784 15.344 -6.482 1.00 0.00 C ATOM 423 CG ASN A 30 -3.279 15.320 -6.739 1.00 0.00 C ATOM 424 OD1 ASN A 30 -4.047 15.949 -6.017 1.00 0.00 O ATOM 425 ND2 ASN A 30 -3.699 14.591 -7.768 1.00 0.00 N ATOM 0 H ASN A 30 -2.309 15.565 -9.048 1.00 0.00 H new ATOM 0 HA ASN A 30 -0.732 17.121 -7.101 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -1.407 14.321 -6.472 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -1.598 15.762 -5.493 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -4.695 14.539 -7.983 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -3.026 14.084 -8.342 1.00 0.00 H new ATOM 432 N THR A 31 1.202 15.352 -6.974 1.00 0.00 N ATOM 433 CA THR A 31 2.458 14.653 -7.193 1.00 0.00 C ATOM 434 C THR A 31 2.674 13.608 -6.108 1.00 0.00 C ATOM 435 O THR A 31 2.116 13.711 -5.017 1.00 0.00 O ATOM 436 CB THR A 31 3.632 15.629 -7.214 1.00 0.00 C ATOM 437 OG1 THR A 31 4.860 14.924 -7.278 1.00 0.00 O ATOM 438 CG2 THR A 31 3.683 16.531 -5.999 1.00 0.00 C ATOM 0 H THR A 31 1.122 15.793 -6.058 1.00 0.00 H new ATOM 0 HA THR A 31 2.404 14.159 -8.163 1.00 0.00 H new ATOM 0 HB THR A 31 3.482 16.249 -8.098 1.00 0.00 H new ATOM 0 HG1 THR A 31 5.603 15.562 -7.293 1.00 0.00 H new ATOM 0 HG21 THR A 31 4.541 17.199 -6.078 1.00 0.00 H new ATOM 0 HG22 THR A 31 2.768 17.120 -5.945 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.778 15.924 -5.099 1.00 0.00 H new ATOM 446 N PHE A 32 3.482 12.605 -6.414 1.00 0.00 N ATOM 447 CA PHE A 32 3.763 11.533 -5.462 1.00 0.00 C ATOM 448 C PHE A 32 5.241 11.504 -5.085 1.00 0.00 C ATOM 449 O PHE A 32 6.113 11.729 -5.923 1.00 0.00 O ATOM 450 CB PHE A 32 3.349 10.185 -6.054 1.00 0.00 C ATOM 451 CG PHE A 32 3.599 9.017 -5.138 1.00 0.00 C ATOM 452 CD1 PHE A 32 3.376 9.123 -3.776 1.00 0.00 C ATOM 453 CD2 PHE A 32 4.055 7.813 -5.650 1.00 0.00 C ATOM 454 CE1 PHE A 32 3.603 8.045 -2.943 1.00 0.00 C ATOM 455 CE2 PHE A 32 4.282 6.734 -4.820 1.00 0.00 C ATOM 456 CZ PHE A 32 4.056 6.850 -3.463 1.00 0.00 C ATOM 0 H PHE A 32 3.956 12.508 -7.312 1.00 0.00 H new ATOM 0 HA PHE A 32 3.185 11.723 -4.558 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.288 10.219 -6.304 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.891 10.026 -6.986 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.022 10.055 -3.362 1.00 0.00 H new ATOM 0 HD2 PHE A 32 4.235 7.718 -6.711 1.00 0.00 H new ATOM 0 HE1 PHE A 32 3.425 8.138 -1.882 1.00 0.00 H new ATOM 0 HE2 PHE A 32 4.636 5.800 -5.231 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.233 6.008 -2.810 1.00 0.00 H new ATOM 466 N ASN A 33 5.511 11.226 -3.814 1.00 0.00 N ATOM 467 CA ASN A 33 6.880 11.164 -3.320 1.00 0.00 C ATOM 468 C ASN A 33 7.258 9.734 -2.945 1.00 0.00 C ATOM 469 O ASN A 33 8.383 9.296 -3.184 1.00 0.00 O ATOM 470 CB ASN A 33 7.051 12.082 -2.106 1.00 0.00 C ATOM 471 CG ASN A 33 8.265 12.982 -2.230 1.00 0.00 C ATOM 472 OD1 ASN A 33 9.397 12.547 -2.017 1.00 0.00 O ATOM 473 ND2 ASN A 33 8.035 14.244 -2.571 1.00 0.00 N ATOM 0 H ASN A 33 4.799 11.040 -3.108 1.00 0.00 H new ATOM 0 HA ASN A 33 7.542 11.501 -4.118 1.00 0.00 H new ATOM 0 HB2 ASN A 33 6.158 12.695 -1.989 1.00 0.00 H new ATOM 0 HB3 ASN A 33 7.142 11.476 -1.205 1.00 0.00 H new ATOM 0 HD21 ASN A 33 8.813 14.897 -2.666 1.00 0.00 H new ATOM 0 HD22 ASN A 33 7.080 14.561 -2.738 1.00 0.00 H new ATOM 480 N GLY A 34 6.311 9.014 -2.355 1.00 0.00 N ATOM 481 CA GLY A 34 6.566 7.640 -1.956 1.00 0.00 C ATOM 482 C GLY A 34 5.866 7.271 -0.661 1.00 0.00 C ATOM 483 O GLY A 34 5.476 8.147 0.109 1.00 0.00 O ATOM 0 H GLY A 34 5.373 9.355 -2.146 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.236 6.968 -2.748 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.640 7.492 -1.840 1.00 0.00 H new ATOM 487 N ILE A 35 5.714 5.971 -0.418 1.00 0.00 N ATOM 488 CA ILE A 35 5.074 5.490 0.791 1.00 0.00 C ATOM 489 C ILE A 35 6.139 5.043 1.788 1.00 0.00 C ATOM 490 O ILE A 35 6.700 3.950 1.676 1.00 0.00 O ATOM 491 CB ILE A 35 4.112 4.327 0.492 1.00 0.00 C ATOM 492 CG1 ILE A 35 3.565 4.433 -0.925 1.00 0.00 C ATOM 493 CG2 ILE A 35 2.965 4.317 1.490 1.00 0.00 C ATOM 494 CD1 ILE A 35 2.615 3.315 -1.291 1.00 0.00 C ATOM 0 H ILE A 35 6.029 5.234 -1.049 1.00 0.00 H new ATOM 0 HA ILE A 35 4.489 6.305 1.217 1.00 0.00 H new ATOM 0 HB ILE A 35 4.668 3.394 0.583 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.050 5.387 -1.037 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.398 4.436 -1.628 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.294 3.488 1.264 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.361 4.199 2.499 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.417 5.257 1.423 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.265 3.455 -2.314 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.131 2.358 -1.212 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.763 3.325 -0.611 1.00 0.00 H new ATOM 506 N SER A 36 6.433 5.914 2.745 1.00 0.00 N ATOM 507 CA SER A 36 7.465 5.642 3.757 1.00 0.00 C ATOM 508 C SER A 36 7.165 4.391 4.554 1.00 0.00 C ATOM 509 O SER A 36 8.075 3.624 4.868 1.00 0.00 O ATOM 510 CB SER A 36 7.631 6.838 4.695 1.00 0.00 C ATOM 511 OG SER A 36 6.754 6.746 5.803 1.00 0.00 O ATOM 0 H SER A 36 5.974 6.819 2.848 1.00 0.00 H new ATOM 0 HA SER A 36 8.400 5.476 3.223 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.662 6.887 5.047 1.00 0.00 H new ATOM 0 HB3 SER A 36 7.436 7.761 4.149 1.00 0.00 H new ATOM 0 HG SER A 36 6.882 7.522 6.387 1.00 0.00 H new ATOM 517 N GLU A 37 5.897 4.154 4.851 1.00 0.00 N ATOM 518 CA GLU A 37 5.501 2.981 5.559 1.00 0.00 C ATOM 519 C GLU A 37 6.260 1.790 4.999 1.00 0.00 C ATOM 520 O GLU A 37 6.562 0.829 5.707 1.00 0.00 O ATOM 521 CB GLU A 37 4.008 2.797 5.373 1.00 0.00 C ATOM 522 CG GLU A 37 3.395 3.636 4.263 1.00 0.00 C ATOM 523 CD GLU A 37 2.857 4.953 4.774 1.00 0.00 C ATOM 524 OE1 GLU A 37 1.706 4.970 5.250 1.00 0.00 O ATOM 525 OE2 GLU A 37 3.586 5.967 4.697 1.00 0.00 O ATOM 0 H GLU A 37 5.128 4.776 4.602 1.00 0.00 H new ATOM 0 HA GLU A 37 5.725 3.070 6.622 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.809 1.745 5.167 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.507 3.038 6.310 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.146 3.825 3.496 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.589 3.076 3.789 1.00 0.00 H new ATOM 532 N LEU A 38 6.575 1.891 3.712 1.00 0.00 N ATOM 533 CA LEU A 38 7.307 0.869 3.015 1.00 0.00 C ATOM 534 C LEU A 38 8.222 1.496 1.967 1.00 0.00 C ATOM 535 O LEU A 38 7.792 1.816 0.857 1.00 0.00 O ATOM 536 CB LEU A 38 6.333 -0.095 2.367 1.00 0.00 C ATOM 537 CG LEU A 38 5.293 0.539 1.451 1.00 0.00 C ATOM 538 CD1 LEU A 38 4.590 -0.514 0.618 1.00 0.00 C ATOM 539 CD2 LEU A 38 4.295 1.335 2.275 1.00 0.00 C ATOM 0 H LEU A 38 6.324 2.691 3.131 1.00 0.00 H new ATOM 0 HA LEU A 38 7.929 0.322 3.724 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.901 -0.826 1.792 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.813 -0.643 3.153 1.00 0.00 H new ATOM 0 HG LEU A 38 5.800 1.217 0.765 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.853 -0.035 -0.027 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.321 -1.041 0.005 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.090 -1.224 1.276 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.555 1.785 1.614 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.795 0.672 2.981 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.818 2.119 2.822 1.00 0.00 H new ATOM 551 N GLN A 39 9.475 1.696 2.354 1.00 0.00 N ATOM 552 CA GLN A 39 10.486 2.311 1.522 1.00 0.00 C ATOM 553 C GLN A 39 10.257 2.020 0.065 1.00 0.00 C ATOM 554 O GLN A 39 10.739 1.036 -0.489 1.00 0.00 O ATOM 555 CB GLN A 39 11.880 1.837 1.939 1.00 0.00 C ATOM 556 CG GLN A 39 12.123 1.902 3.437 1.00 0.00 C ATOM 557 CD GLN A 39 13.560 2.241 3.781 1.00 0.00 C ATOM 558 OE1 GLN A 39 14.259 1.457 4.422 1.00 0.00 O ATOM 559 NE2 GLN A 39 14.006 3.418 3.357 1.00 0.00 N ATOM 0 H GLN A 39 9.818 1.427 3.276 1.00 0.00 H new ATOM 0 HA GLN A 39 10.417 3.390 1.663 1.00 0.00 H new ATOM 0 HB2 GLN A 39 12.022 0.810 1.601 1.00 0.00 H new ATOM 0 HB3 GLN A 39 12.628 2.446 1.431 1.00 0.00 H new ATOM 0 HG2 GLN A 39 11.462 2.649 3.876 1.00 0.00 H new ATOM 0 HG3 GLN A 39 11.863 0.943 3.885 1.00 0.00 H new ATOM 0 HE21 GLN A 39 13.391 4.036 2.828 1.00 0.00 H new ATOM 0 HE22 GLN A 39 14.964 3.704 3.560 1.00 0.00 H new ATOM 568 N SER A 40 9.491 2.932 -0.500 1.00 0.00 N ATOM 569 CA SER A 40 9.073 2.945 -1.911 1.00 0.00 C ATOM 570 C SER A 40 9.724 1.849 -2.741 1.00 0.00 C ATOM 571 O SER A 40 9.075 1.222 -3.579 1.00 0.00 O ATOM 572 CB SER A 40 9.379 4.310 -2.531 1.00 0.00 C ATOM 573 OG SER A 40 9.206 4.279 -3.938 1.00 0.00 O ATOM 0 H SER A 40 9.120 3.724 0.024 1.00 0.00 H new ATOM 0 HA SER A 40 8.000 2.754 -1.920 1.00 0.00 H new ATOM 0 HB2 SER A 40 8.724 5.066 -2.097 1.00 0.00 H new ATOM 0 HB3 SER A 40 10.402 4.600 -2.293 1.00 0.00 H new ATOM 0 HG SER A 40 8.680 3.490 -4.186 1.00 0.00 H new ATOM 579 N SER A 41 10.996 1.622 -2.510 1.00 0.00 N ATOM 580 CA SER A 41 11.724 0.600 -3.240 1.00 0.00 C ATOM 581 C SER A 41 11.083 -0.780 -3.078 1.00 0.00 C ATOM 582 O SER A 41 11.383 -1.690 -3.851 1.00 0.00 O ATOM 583 CB SER A 41 13.181 0.562 -2.774 1.00 0.00 C ATOM 584 OG SER A 41 13.641 -0.766 -2.629 1.00 0.00 O ATOM 0 H SER A 41 11.552 2.130 -1.822 1.00 0.00 H new ATOM 0 HA SER A 41 11.687 0.858 -4.298 1.00 0.00 H new ATOM 0 HB2 SER A 41 13.808 1.090 -3.492 1.00 0.00 H new ATOM 0 HB3 SER A 41 13.274 1.087 -1.823 1.00 0.00 H new ATOM 0 HG SER A 41 14.575 -0.758 -2.332 1.00 0.00 H new ATOM 590 N GLN A 42 10.218 -0.959 -2.068 1.00 0.00 N ATOM 591 CA GLN A 42 9.590 -2.233 -1.840 1.00 0.00 C ATOM 592 C GLN A 42 8.544 -2.563 -2.911 1.00 0.00 C ATOM 593 O GLN A 42 8.143 -3.719 -3.084 1.00 0.00 O ATOM 594 CB GLN A 42 9.034 -2.246 -0.426 1.00 0.00 C ATOM 595 CG GLN A 42 7.927 -1.261 -0.112 1.00 0.00 C ATOM 596 CD GLN A 42 7.326 -0.598 -1.312 1.00 0.00 C ATOM 597 OE1 GLN A 42 6.459 -1.157 -1.974 1.00 0.00 O ATOM 598 NE2 GLN A 42 7.773 0.605 -1.572 1.00 0.00 N ATOM 0 H GLN A 42 9.950 -0.229 -1.408 1.00 0.00 H new ATOM 0 HA GLN A 42 10.327 -3.031 -1.929 1.00 0.00 H new ATOM 0 HB2 GLN A 42 8.663 -3.250 -0.217 1.00 0.00 H new ATOM 0 HB3 GLN A 42 9.858 -2.061 0.263 1.00 0.00 H new ATOM 0 HG2 GLN A 42 7.139 -1.781 0.433 1.00 0.00 H new ATOM 0 HG3 GLN A 42 8.320 -0.492 0.553 1.00 0.00 H new ATOM 0 HE21 GLN A 42 8.497 1.018 -0.984 1.00 0.00 H new ATOM 0 HE22 GLN A 42 7.397 1.129 -2.362 1.00 0.00 H new ATOM 607 N TYR A 43 8.137 -1.537 -3.638 1.00 0.00 N ATOM 608 CA TYR A 43 7.169 -1.693 -4.729 1.00 0.00 C ATOM 609 C TYR A 43 7.752 -1.198 -6.042 1.00 0.00 C ATOM 610 O TYR A 43 8.938 -0.875 -6.132 1.00 0.00 O ATOM 611 CB TYR A 43 5.833 -0.984 -4.443 1.00 0.00 C ATOM 612 CG TYR A 43 5.944 0.467 -4.038 1.00 0.00 C ATOM 613 CD1 TYR A 43 6.703 1.369 -4.772 1.00 0.00 C ATOM 614 CD2 TYR A 43 5.272 0.933 -2.917 1.00 0.00 C ATOM 615 CE1 TYR A 43 6.792 2.698 -4.395 1.00 0.00 C ATOM 616 CE2 TYR A 43 5.356 2.256 -2.534 1.00 0.00 C ATOM 617 CZ TYR A 43 6.118 3.134 -3.274 1.00 0.00 C ATOM 618 OH TYR A 43 6.202 4.455 -2.890 1.00 0.00 O ATOM 0 H TYR A 43 8.459 -0.579 -3.498 1.00 0.00 H new ATOM 0 HA TYR A 43 6.959 -2.760 -4.807 1.00 0.00 H new ATOM 0 HB2 TYR A 43 5.209 -1.048 -5.334 1.00 0.00 H new ATOM 0 HB3 TYR A 43 5.315 -1.526 -3.652 1.00 0.00 H new ATOM 0 HD1 TYR A 43 7.232 1.029 -5.650 1.00 0.00 H new ATOM 0 HD2 TYR A 43 4.673 0.249 -2.334 1.00 0.00 H new ATOM 0 HE1 TYR A 43 7.386 3.389 -4.975 1.00 0.00 H new ATOM 0 HE2 TYR A 43 4.827 2.602 -1.658 1.00 0.00 H new ATOM 0 HH TYR A 43 5.605 4.996 -3.448 1.00 0.00 H new ATOM 628 N THR A 44 6.908 -1.155 -7.053 1.00 0.00 N ATOM 629 CA THR A 44 7.306 -0.716 -8.377 1.00 0.00 C ATOM 630 C THR A 44 6.493 0.492 -8.800 1.00 0.00 C ATOM 631 O THR A 44 5.510 0.376 -9.533 1.00 0.00 O ATOM 632 CB THR A 44 7.124 -1.846 -9.392 1.00 0.00 C ATOM 633 OG1 THR A 44 7.160 -3.106 -8.746 1.00 0.00 O ATOM 634 CG2 THR A 44 8.181 -1.854 -10.475 1.00 0.00 C ATOM 0 H THR A 44 5.927 -1.423 -6.981 1.00 0.00 H new ATOM 0 HA THR A 44 8.360 -0.439 -8.343 1.00 0.00 H new ATOM 0 HB THR A 44 6.155 -1.666 -9.857 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.040 -3.817 -9.409 1.00 0.00 H new ATOM 0 HG21 THR A 44 7.993 -2.680 -11.161 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.148 -0.912 -11.023 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.165 -1.975 -10.022 1.00 0.00 H new ATOM 642 N LYS A 45 6.913 1.653 -8.320 1.00 0.00 N ATOM 643 CA LYS A 45 6.239 2.907 -8.639 1.00 0.00 C ATOM 644 C LYS A 45 6.459 3.273 -10.101 1.00 0.00 C ATOM 645 O LYS A 45 7.388 2.787 -10.746 1.00 0.00 O ATOM 646 CB LYS A 45 6.747 4.035 -7.728 1.00 0.00 C ATOM 647 CG LYS A 45 6.717 5.425 -8.352 1.00 0.00 C ATOM 648 CD LYS A 45 7.881 5.637 -9.305 1.00 0.00 C ATOM 649 CE LYS A 45 8.610 6.941 -9.014 1.00 0.00 C ATOM 650 NZ LYS A 45 9.666 6.768 -7.979 1.00 0.00 N ATOM 0 H LYS A 45 7.721 1.755 -7.705 1.00 0.00 H new ATOM 0 HA LYS A 45 5.170 2.776 -8.470 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.145 4.047 -6.819 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.771 3.808 -7.430 1.00 0.00 H new ATOM 0 HG2 LYS A 45 5.778 5.563 -8.888 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.749 6.178 -7.565 1.00 0.00 H new ATOM 0 HD2 LYS A 45 8.578 4.803 -9.221 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.515 5.645 -10.332 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.060 7.318 -9.932 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.893 7.691 -8.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 10.139 7.679 -7.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 9.234 6.433 -7.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 10.364 6.072 -8.309 1.00 0.00 H new ATOM 664 N GLY A 46 5.595 4.135 -10.612 1.00 0.00 N ATOM 665 CA GLY A 46 5.693 4.565 -11.988 1.00 0.00 C ATOM 666 C GLY A 46 4.884 5.817 -12.256 1.00 0.00 C ATOM 667 O GLY A 46 3.904 5.772 -12.999 1.00 0.00 O ATOM 0 H GLY A 46 4.821 4.547 -10.092 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.738 4.750 -12.235 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.348 3.765 -12.642 1.00 0.00 H new ATOM 671 N THR A 47 5.297 6.928 -11.634 1.00 0.00 N ATOM 672 CA THR A 47 4.621 8.226 -11.787 1.00 0.00 C ATOM 673 C THR A 47 3.275 8.081 -12.491 1.00 0.00 C ATOM 674 O THR A 47 3.052 8.656 -13.559 1.00 0.00 O ATOM 675 CB THR A 47 5.511 9.194 -12.568 1.00 0.00 C ATOM 676 OG1 THR A 47 4.926 10.484 -12.617 1.00 0.00 O ATOM 677 CG2 THR A 47 5.770 8.752 -13.992 1.00 0.00 C ATOM 0 H THR A 47 6.105 6.955 -11.013 1.00 0.00 H new ATOM 0 HA THR A 47 4.438 8.622 -10.788 1.00 0.00 H new ATOM 0 HB THR A 47 6.460 9.211 -12.032 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.074 10.439 -13.099 1.00 0.00 H new ATOM 0 HG21 THR A 47 6.408 9.483 -14.490 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.266 7.781 -13.987 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.823 8.673 -14.526 1.00 0.00 H new ATOM 685 N ASN A 48 2.392 7.297 -11.883 1.00 0.00 N ATOM 686 CA ASN A 48 1.056 7.030 -12.418 1.00 0.00 C ATOM 687 C ASN A 48 0.618 5.636 -12.026 1.00 0.00 C ATOM 688 O ASN A 48 -0.559 5.298 -12.098 1.00 0.00 O ATOM 689 CB ASN A 48 1.017 7.175 -13.935 1.00 0.00 C ATOM 690 CG ASN A 48 -0.089 6.368 -14.582 1.00 0.00 C ATOM 691 OD1 ASN A 48 -1.271 6.664 -14.406 1.00 0.00 O ATOM 692 ND2 ASN A 48 0.284 5.342 -15.337 1.00 0.00 N ATOM 0 H ASN A 48 2.581 6.824 -10.999 1.00 0.00 H new ATOM 0 HA ASN A 48 0.373 7.766 -11.994 1.00 0.00 H new ATOM 0 HB2 ASN A 48 0.888 8.227 -14.190 1.00 0.00 H new ATOM 0 HB3 ASN A 48 1.976 6.862 -14.348 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -0.420 4.765 -15.797 1.00 0.00 H new ATOM 0 HD22 ASN A 48 1.275 5.131 -15.457 1.00 0.00 H new ATOM 699 N GLU A 49 1.581 4.830 -11.606 1.00 0.00 N ATOM 700 CA GLU A 49 1.303 3.469 -11.188 1.00 0.00 C ATOM 701 C GLU A 49 2.293 3.018 -10.128 1.00 0.00 C ATOM 702 O GLU A 49 3.356 3.603 -9.957 1.00 0.00 O ATOM 703 CB GLU A 49 1.368 2.511 -12.372 1.00 0.00 C ATOM 704 CG GLU A 49 0.008 2.162 -12.951 1.00 0.00 C ATOM 705 CD GLU A 49 0.053 1.926 -14.448 1.00 0.00 C ATOM 706 OE1 GLU A 49 0.987 2.440 -15.101 1.00 0.00 O ATOM 707 OE2 GLU A 49 -0.837 1.230 -14.968 1.00 0.00 O ATOM 0 H GLU A 49 2.563 5.098 -11.546 1.00 0.00 H new ATOM 0 HA GLU A 49 0.296 3.454 -10.771 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.983 2.956 -13.154 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.866 1.593 -12.059 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.374 1.268 -12.458 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.692 2.969 -12.735 1.00 0.00 H new ATOM 714 N VAL A 50 1.926 1.965 -9.430 1.00 0.00 N ATOM 715 CA VAL A 50 2.767 1.401 -8.384 1.00 0.00 C ATOM 716 C VAL A 50 2.423 -0.057 -8.154 1.00 0.00 C ATOM 717 O VAL A 50 1.256 -0.427 -8.112 1.00 0.00 O ATOM 718 CB VAL A 50 2.625 2.176 -7.070 1.00 0.00 C ATOM 719 CG1 VAL A 50 1.172 2.540 -6.811 1.00 0.00 C ATOM 720 CG2 VAL A 50 3.208 1.388 -5.902 1.00 0.00 C ATOM 0 H VAL A 50 1.042 1.474 -9.567 1.00 0.00 H new ATOM 0 HA VAL A 50 3.801 1.480 -8.719 1.00 0.00 H new ATOM 0 HB VAL A 50 3.193 3.102 -7.163 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.096 3.090 -5.873 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.802 3.161 -7.626 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.575 1.630 -6.748 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.093 1.962 -4.983 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.682 0.438 -5.805 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.266 1.199 -6.082 1.00 0.00 H new ATOM 730 N THR A 51 3.445 -0.884 -8.021 1.00 0.00 N ATOM 731 CA THR A 51 3.221 -2.312 -7.818 1.00 0.00 C ATOM 732 C THR A 51 3.962 -2.860 -6.604 1.00 0.00 C ATOM 733 O THR A 51 5.187 -2.945 -6.593 1.00 0.00 O ATOM 734 CB THR A 51 3.628 -3.093 -9.065 1.00 0.00 C ATOM 735 OG1 THR A 51 2.854 -2.693 -10.183 1.00 0.00 O ATOM 736 CG2 THR A 51 3.475 -4.591 -8.914 1.00 0.00 C ATOM 0 H THR A 51 4.425 -0.602 -8.049 1.00 0.00 H new ATOM 0 HA THR A 51 2.155 -2.438 -7.630 1.00 0.00 H new ATOM 0 HB THR A 51 4.684 -2.866 -9.213 1.00 0.00 H new ATOM 0 HG1 THR A 51 3.131 -3.204 -10.972 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.782 -5.083 -9.837 1.00 0.00 H new ATOM 0 HG22 THR A 51 4.100 -4.940 -8.092 1.00 0.00 H new ATOM 0 HG23 THR A 51 2.433 -4.831 -8.704 1.00 0.00 H new ATOM 744 N LEU A 52 3.199 -3.264 -5.591 1.00 0.00 N ATOM 745 CA LEU A 52 3.779 -3.835 -4.388 1.00 0.00 C ATOM 746 C LEU A 52 4.364 -5.188 -4.690 1.00 0.00 C ATOM 747 O LEU A 52 3.811 -5.937 -5.502 1.00 0.00 O ATOM 748 CB LEU A 52 2.725 -4.035 -3.324 1.00 0.00 C ATOM 749 CG LEU A 52 2.166 -2.776 -2.702 1.00 0.00 C ATOM 750 CD1 LEU A 52 3.134 -2.199 -1.684 1.00 0.00 C ATOM 751 CD2 LEU A 52 1.815 -1.749 -3.766 1.00 0.00 C ATOM 0 H LEU A 52 2.181 -3.205 -5.583 1.00 0.00 H new ATOM 0 HA LEU A 52 4.545 -3.144 -4.037 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.900 -4.599 -3.759 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.149 -4.651 -2.531 1.00 0.00 H new ATOM 0 HG LEU A 52 1.247 -3.040 -2.179 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.709 -1.294 -1.250 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.311 -2.930 -0.895 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.077 -1.958 -2.174 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.415 -0.854 -3.290 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.710 -1.490 -4.331 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.067 -2.165 -4.441 1.00 0.00 H new ATOM 763 N LEU A 53 5.466 -5.523 -4.035 1.00 0.00 N ATOM 764 CA LEU A 53 6.062 -6.812 -4.275 1.00 0.00 C ATOM 765 C LEU A 53 5.881 -7.767 -3.101 1.00 0.00 C ATOM 766 O LEU A 53 6.457 -7.591 -2.026 1.00 0.00 O ATOM 767 CB LEU A 53 7.544 -6.673 -4.634 1.00 0.00 C ATOM 768 CG LEU A 53 7.845 -6.631 -6.133 1.00 0.00 C ATOM 769 CD1 LEU A 53 9.235 -6.065 -6.382 1.00 0.00 C ATOM 770 CD2 LEU A 53 7.719 -8.021 -6.738 1.00 0.00 C ATOM 0 H LEU A 53 5.948 -4.935 -3.355 1.00 0.00 H new ATOM 0 HA LEU A 53 5.535 -7.246 -5.125 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.929 -5.762 -4.176 1.00 0.00 H new ATOM 0 HB3 LEU A 53 8.089 -7.507 -4.193 1.00 0.00 H new ATOM 0 HG LEU A 53 7.117 -5.977 -6.614 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.432 -6.043 -7.454 1.00 0.00 H new ATOM 0 HD12 LEU A 53 9.293 -5.053 -5.981 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.977 -6.693 -5.890 1.00 0.00 H new ATOM 0 HD21 LEU A 53 7.936 -7.974 -7.805 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.426 -8.694 -6.253 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.705 -8.392 -6.590 1.00 0.00 H new ATOM 782 N ALA A 54 5.082 -8.801 -3.337 1.00 0.00 N ATOM 783 CA ALA A 54 4.801 -9.823 -2.338 1.00 0.00 C ATOM 784 C ALA A 54 6.051 -10.253 -1.573 1.00 0.00 C ATOM 785 O ALA A 54 5.951 -10.906 -0.535 1.00 0.00 O ATOM 786 CB ALA A 54 4.173 -11.034 -3.010 1.00 0.00 C ATOM 0 H ALA A 54 4.610 -8.954 -4.228 1.00 0.00 H new ATOM 0 HA ALA A 54 4.111 -9.389 -1.615 1.00 0.00 H new ATOM 0 HB1 ALA A 54 3.963 -11.798 -2.261 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.244 -10.739 -3.497 1.00 0.00 H new ATOM 0 HB3 ALA A 54 4.861 -11.435 -3.754 1.00 0.00 H new ATOM 792 N SER A 55 7.221 -9.901 -2.087 1.00 0.00 N ATOM 793 CA SER A 55 8.475 -10.272 -1.444 1.00 0.00 C ATOM 794 C SER A 55 8.681 -9.497 -0.152 1.00 0.00 C ATOM 795 O SER A 55 9.033 -10.071 0.872 1.00 0.00 O ATOM 796 CB SER A 55 9.652 -10.034 -2.392 1.00 0.00 C ATOM 797 OG SER A 55 10.743 -10.879 -2.072 1.00 0.00 O ATOM 0 H SER A 55 7.329 -9.360 -2.945 1.00 0.00 H new ATOM 0 HA SER A 55 8.424 -11.333 -1.200 1.00 0.00 H new ATOM 0 HB2 SER A 55 9.337 -10.215 -3.420 1.00 0.00 H new ATOM 0 HB3 SER A 55 9.966 -8.992 -2.333 1.00 0.00 H new ATOM 0 HG SER A 55 11.482 -10.709 -2.693 1.00 0.00 H new ATOM 803 N TYR A 56 8.457 -8.194 -0.214 1.00 0.00 N ATOM 804 CA TYR A 56 8.618 -7.338 0.947 1.00 0.00 C ATOM 805 C TYR A 56 7.480 -7.566 1.925 1.00 0.00 C ATOM 806 O TYR A 56 7.689 -7.884 3.104 1.00 0.00 O ATOM 807 CB TYR A 56 8.640 -5.872 0.518 1.00 0.00 C ATOM 808 CG TYR A 56 8.762 -4.900 1.668 1.00 0.00 C ATOM 809 CD1 TYR A 56 7.713 -4.721 2.563 1.00 0.00 C ATOM 810 CD2 TYR A 56 9.920 -4.160 1.856 1.00 0.00 C ATOM 811 CE1 TYR A 56 7.820 -3.832 3.615 1.00 0.00 C ATOM 812 CE2 TYR A 56 10.034 -3.269 2.907 1.00 0.00 C ATOM 813 CZ TYR A 56 8.982 -3.107 3.782 1.00 0.00 C ATOM 814 OH TYR A 56 9.090 -2.221 4.828 1.00 0.00 O ATOM 0 H TYR A 56 8.162 -7.706 -1.060 1.00 0.00 H new ATOM 0 HA TYR A 56 9.562 -7.583 1.434 1.00 0.00 H new ATOM 0 HB2 TYR A 56 9.474 -5.716 -0.167 1.00 0.00 H new ATOM 0 HB3 TYR A 56 7.727 -5.652 -0.036 1.00 0.00 H new ATOM 0 HD1 TYR A 56 6.801 -5.285 2.434 1.00 0.00 H new ATOM 0 HD2 TYR A 56 10.746 -4.282 1.171 1.00 0.00 H new ATOM 0 HE1 TYR A 56 6.998 -3.705 4.304 1.00 0.00 H new ATOM 0 HE2 TYR A 56 10.944 -2.702 3.042 1.00 0.00 H new ATOM 0 HH TYR A 56 9.971 -1.793 4.804 1.00 0.00 H new ATOM 824 N LEU A 57 6.269 -7.397 1.426 1.00 0.00 N ATOM 825 CA LEU A 57 5.090 -7.576 2.252 1.00 0.00 C ATOM 826 C LEU A 57 5.068 -8.956 2.889 1.00 0.00 C ATOM 827 O LEU A 57 4.633 -9.111 4.030 1.00 0.00 O ATOM 828 CB LEU A 57 3.817 -7.349 1.439 1.00 0.00 C ATOM 829 CG LEU A 57 2.695 -6.664 2.212 1.00 0.00 C ATOM 830 CD1 LEU A 57 2.675 -5.172 1.922 1.00 0.00 C ATOM 831 CD2 LEU A 57 1.360 -7.293 1.879 1.00 0.00 C ATOM 0 H LEU A 57 6.077 -7.138 0.458 1.00 0.00 H new ATOM 0 HA LEU A 57 5.131 -6.834 3.049 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.061 -6.746 0.564 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.457 -8.311 1.073 1.00 0.00 H new ATOM 0 HG LEU A 57 2.881 -6.799 3.278 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.867 -4.703 2.484 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.627 -4.731 2.218 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.517 -5.011 0.856 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.571 -6.791 2.440 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.166 -7.192 0.811 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.379 -8.350 2.146 1.00 0.00 H new ATOM 843 N ASN A 58 5.543 -9.960 2.163 1.00 0.00 N ATOM 844 CA ASN A 58 5.573 -11.313 2.695 1.00 0.00 C ATOM 845 C ASN A 58 6.532 -11.397 3.876 1.00 0.00 C ATOM 846 O ASN A 58 6.365 -12.230 4.770 1.00 0.00 O ATOM 847 CB ASN A 58 5.981 -12.317 1.615 1.00 0.00 C ATOM 848 CG ASN A 58 6.197 -13.712 2.168 1.00 0.00 C ATOM 849 OD1 ASN A 58 5.395 -14.210 2.959 1.00 0.00 O ATOM 850 ND2 ASN A 58 7.284 -14.351 1.754 1.00 0.00 N ATOM 0 H ASN A 58 5.908 -9.864 1.216 1.00 0.00 H new ATOM 0 HA ASN A 58 4.568 -11.564 3.035 1.00 0.00 H new ATOM 0 HB2 ASN A 58 5.210 -12.351 0.845 1.00 0.00 H new ATOM 0 HB3 ASN A 58 6.897 -11.975 1.134 1.00 0.00 H new ATOM 0 HD21 ASN A 58 7.482 -15.293 2.092 1.00 0.00 H new ATOM 0 HD22 ASN A 58 7.922 -13.900 1.098 1.00 0.00 H new ATOM 857 N THR A 59 7.537 -10.527 3.874 1.00 0.00 N ATOM 858 CA THR A 59 8.526 -10.500 4.946 1.00 0.00 C ATOM 859 C THR A 59 8.051 -9.625 6.098 1.00 0.00 C ATOM 860 O THR A 59 8.506 -9.779 7.230 1.00 0.00 O ATOM 861 CB THR A 59 9.870 -9.992 4.424 1.00 0.00 C ATOM 862 OG1 THR A 59 9.751 -9.525 3.093 1.00 0.00 O ATOM 863 CG2 THR A 59 10.958 -11.046 4.446 1.00 0.00 C ATOM 0 H THR A 59 7.688 -9.832 3.143 1.00 0.00 H new ATOM 0 HA THR A 59 8.653 -11.519 5.313 1.00 0.00 H new ATOM 0 HB THR A 59 10.153 -9.185 5.100 1.00 0.00 H new ATOM 0 HG1 THR A 59 9.614 -10.286 2.491 1.00 0.00 H new ATOM 0 HG21 THR A 59 11.885 -10.620 4.063 1.00 0.00 H new ATOM 0 HG22 THR A 59 11.112 -11.389 5.469 1.00 0.00 H new ATOM 0 HG23 THR A 59 10.661 -11.889 3.822 1.00 0.00 H new ATOM 871 N LEU A 60 7.136 -8.705 5.801 1.00 0.00 N ATOM 872 CA LEU A 60 6.601 -7.803 6.820 1.00 0.00 C ATOM 873 C LEU A 60 6.396 -8.530 8.146 1.00 0.00 C ATOM 874 O LEU A 60 6.259 -9.752 8.182 1.00 0.00 O ATOM 875 CB LEU A 60 5.278 -7.195 6.355 1.00 0.00 C ATOM 876 CG LEU A 60 5.410 -5.953 5.474 1.00 0.00 C ATOM 877 CD1 LEU A 60 4.051 -5.531 4.942 1.00 0.00 C ATOM 878 CD2 LEU A 60 6.056 -4.814 6.252 1.00 0.00 C ATOM 0 H LEU A 60 6.750 -8.564 4.867 1.00 0.00 H new ATOM 0 HA LEU A 60 7.328 -7.005 6.972 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.720 -7.954 5.806 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.686 -6.937 7.233 1.00 0.00 H new ATOM 0 HG LEU A 60 6.050 -6.198 4.627 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.164 -4.645 4.317 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.624 -6.341 4.350 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.388 -5.304 5.777 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.142 -3.938 5.610 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.441 -4.570 7.118 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.048 -5.118 6.586 1.00 0.00 H new ATOM 890 N PRO A 61 6.378 -7.781 9.260 1.00 0.00 N ATOM 891 CA PRO A 61 6.195 -8.353 10.600 1.00 0.00 C ATOM 892 C PRO A 61 4.906 -9.157 10.725 1.00 0.00 C ATOM 893 O PRO A 61 4.177 -9.342 9.749 1.00 0.00 O ATOM 894 CB PRO A 61 6.148 -7.124 11.515 1.00 0.00 C ATOM 895 CG PRO A 61 6.837 -6.047 10.749 1.00 0.00 C ATOM 896 CD PRO A 61 6.542 -6.318 9.302 1.00 0.00 C ATOM 0 HA PRO A 61 6.991 -9.056 10.847 1.00 0.00 H new ATOM 0 HB2 PRO A 61 5.121 -6.846 11.750 1.00 0.00 H new ATOM 0 HB3 PRO A 61 6.651 -7.318 12.463 1.00 0.00 H new ATOM 0 HG2 PRO A 61 6.472 -5.063 11.044 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.910 -6.059 10.938 1.00 0.00 H new ATOM 0 HD2 PRO A 61 5.640 -5.802 8.971 1.00 0.00 H new ATOM 0 HD3 PRO A 61 7.355 -5.985 8.656 1.00 0.00 H new ATOM 904 N GLU A 62 4.630 -9.632 11.937 1.00 0.00 N ATOM 905 CA GLU A 62 3.432 -10.419 12.203 1.00 0.00 C ATOM 906 C GLU A 62 2.179 -9.592 12.024 1.00 0.00 C ATOM 907 O GLU A 62 2.207 -8.522 11.421 1.00 0.00 O ATOM 908 CB GLU A 62 3.483 -10.992 13.622 1.00 0.00 C ATOM 909 CG GLU A 62 3.242 -9.956 14.708 1.00 0.00 C ATOM 910 CD GLU A 62 4.088 -10.201 15.942 1.00 0.00 C ATOM 911 OE1 GLU A 62 5.072 -10.962 15.848 1.00 0.00 O ATOM 912 OE2 GLU A 62 3.762 -9.631 17.007 1.00 0.00 O ATOM 0 H GLU A 62 5.224 -9.484 12.753 1.00 0.00 H new ATOM 0 HA GLU A 62 3.402 -11.238 11.484 1.00 0.00 H new ATOM 0 HB2 GLU A 62 2.737 -11.781 13.713 1.00 0.00 H new ATOM 0 HB3 GLU A 62 4.457 -11.454 13.783 1.00 0.00 H new ATOM 0 HG2 GLU A 62 3.460 -8.963 14.313 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.188 -9.964 14.986 1.00 0.00 H new ATOM 919 N ASN A 63 1.073 -10.125 12.534 1.00 0.00 N ATOM 920 CA ASN A 63 -0.221 -9.494 12.434 1.00 0.00 C ATOM 921 C ASN A 63 -0.132 -7.982 12.605 1.00 0.00 C ATOM 922 O ASN A 63 -0.552 -7.433 13.623 1.00 0.00 O ATOM 923 CB ASN A 63 -1.171 -10.074 13.483 1.00 0.00 C ATOM 924 CG ASN A 63 -2.620 -9.721 13.212 1.00 0.00 C ATOM 925 OD1 ASN A 63 -3.178 -8.815 13.828 1.00 0.00 O ATOM 926 ND2 ASN A 63 -3.239 -10.438 12.280 1.00 0.00 N ATOM 0 H ASN A 63 1.059 -11.015 13.031 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.606 -9.696 11.434 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -1.063 -11.158 13.507 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -0.888 -9.704 14.469 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -4.214 -10.245 12.052 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -2.739 -11.181 11.792 1.00 0.00 H new ATOM 933 N THR A 64 0.413 -7.321 11.595 1.00 0.00 N ATOM 934 CA THR A 64 0.563 -5.872 11.621 1.00 0.00 C ATOM 935 C THR A 64 -0.290 -5.219 10.547 1.00 0.00 C ATOM 936 O THR A 64 -0.480 -5.782 9.468 1.00 0.00 O ATOM 937 CB THR A 64 2.030 -5.490 11.422 1.00 0.00 C ATOM 938 OG1 THR A 64 2.629 -6.318 10.437 1.00 0.00 O ATOM 939 CG2 THR A 64 2.855 -5.598 12.690 1.00 0.00 C ATOM 0 H THR A 64 0.760 -7.765 10.745 1.00 0.00 H new ATOM 0 HA THR A 64 0.227 -5.514 12.594 1.00 0.00 H new ATOM 0 HB THR A 64 2.023 -4.446 11.108 1.00 0.00 H new ATOM 0 HG1 THR A 64 2.885 -7.174 10.841 1.00 0.00 H new ATOM 0 HG21 THR A 64 3.886 -5.313 12.479 1.00 0.00 H new ATOM 0 HG22 THR A 64 2.443 -4.934 13.450 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.830 -6.625 13.054 1.00 0.00 H new ATOM 947 N THR A 65 -0.805 -4.032 10.842 1.00 0.00 N ATOM 948 CA THR A 65 -1.642 -3.307 9.895 1.00 0.00 C ATOM 949 C THR A 65 -0.795 -2.428 8.984 1.00 0.00 C ATOM 950 O THR A 65 -0.603 -1.242 9.253 1.00 0.00 O ATOM 951 CB THR A 65 -2.656 -2.448 10.638 1.00 0.00 C ATOM 952 OG1 THR A 65 -2.855 -2.928 11.955 1.00 0.00 O ATOM 953 CG2 THR A 65 -4.008 -2.392 9.959 1.00 0.00 C ATOM 0 H THR A 65 -0.658 -3.551 11.729 1.00 0.00 H new ATOM 0 HA THR A 65 -2.169 -4.038 9.282 1.00 0.00 H new ATOM 0 HB THR A 65 -2.230 -1.445 10.645 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.509 -2.361 12.415 1.00 0.00 H new ATOM 0 HG21 THR A 65 -4.682 -1.763 10.541 1.00 0.00 H new ATOM 0 HG22 THR A 65 -3.896 -1.974 8.959 1.00 0.00 H new ATOM 0 HG23 THR A 65 -4.421 -3.398 9.888 1.00 0.00 H new ATOM 961 N LYS A 66 -0.296 -3.014 7.905 1.00 0.00 N ATOM 962 CA LYS A 66 0.513 -2.290 6.949 1.00 0.00 C ATOM 963 C LYS A 66 -0.316 -1.218 6.259 1.00 0.00 C ATOM 964 O LYS A 66 -1.303 -1.522 5.598 1.00 0.00 O ATOM 965 CB LYS A 66 1.107 -3.268 5.929 1.00 0.00 C ATOM 966 CG LYS A 66 1.620 -2.613 4.661 1.00 0.00 C ATOM 967 CD LYS A 66 3.002 -2.025 4.867 1.00 0.00 C ATOM 968 CE LYS A 66 3.745 -1.887 3.550 1.00 0.00 C ATOM 969 NZ LYS A 66 5.026 -2.648 3.553 1.00 0.00 N ATOM 0 H LYS A 66 -0.442 -3.997 7.673 1.00 0.00 H new ATOM 0 HA LYS A 66 1.331 -1.795 7.472 1.00 0.00 H new ATOM 0 HB2 LYS A 66 1.926 -3.812 6.399 1.00 0.00 H new ATOM 0 HB3 LYS A 66 0.347 -4.003 5.663 1.00 0.00 H new ATOM 0 HG2 LYS A 66 1.651 -3.348 3.856 1.00 0.00 H new ATOM 0 HG3 LYS A 66 0.931 -1.828 4.350 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.917 -1.048 5.343 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.573 -2.661 5.544 1.00 0.00 H new ATOM 0 HE2 LYS A 66 3.113 -2.244 2.737 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.949 -0.834 3.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 5.527 -2.487 2.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.619 -2.326 4.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 4.827 -3.663 3.661 1.00 0.00 H new ATOM 983 N THR A 67 0.067 0.033 6.427 1.00 0.00 N ATOM 984 CA THR A 67 -0.659 1.136 5.821 1.00 0.00 C ATOM 985 C THR A 67 0.131 1.736 4.669 1.00 0.00 C ATOM 986 O THR A 67 1.255 2.186 4.860 1.00 0.00 O ATOM 987 CB THR A 67 -0.962 2.212 6.865 1.00 0.00 C ATOM 988 OG1 THR A 67 -1.456 1.630 8.058 1.00 0.00 O ATOM 989 CG2 THR A 67 -1.980 3.231 6.397 1.00 0.00 C ATOM 0 H THR A 67 0.878 0.313 6.979 1.00 0.00 H new ATOM 0 HA THR A 67 -1.599 0.748 5.430 1.00 0.00 H new ATOM 0 HB THR A 67 -0.014 2.721 7.037 1.00 0.00 H new ATOM 0 HG1 THR A 67 -1.642 2.335 8.713 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.149 3.965 7.185 1.00 0.00 H new ATOM 0 HG22 THR A 67 -1.607 3.735 5.505 1.00 0.00 H new ATOM 0 HG23 THR A 67 -2.918 2.727 6.163 1.00 0.00 H new ATOM 997 N LEU A 68 -0.451 1.733 3.473 1.00 0.00 N ATOM 998 CA LEU A 68 0.218 2.279 2.296 1.00 0.00 C ATOM 999 C LEU A 68 -0.164 3.737 2.063 1.00 0.00 C ATOM 1000 O LEU A 68 -1.064 4.030 1.273 1.00 0.00 O ATOM 1001 CB LEU A 68 -0.121 1.441 1.060 1.00 0.00 C ATOM 1002 CG LEU A 68 1.063 0.770 0.372 1.00 0.00 C ATOM 1003 CD1 LEU A 68 1.251 -0.638 0.902 1.00 0.00 C ATOM 1004 CD2 LEU A 68 0.863 0.751 -1.130 1.00 0.00 C ATOM 0 H LEU A 68 -1.383 1.359 3.293 1.00 0.00 H new ATOM 0 HA LEU A 68 1.293 2.239 2.474 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -0.834 0.669 1.351 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -0.623 2.082 0.336 1.00 0.00 H new ATOM 0 HG LEU A 68 1.963 1.345 0.590 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.100 -1.105 0.402 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.438 -0.601 1.975 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.351 -1.222 0.710 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.717 0.269 -1.605 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.045 0.198 -1.369 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.773 1.773 -1.498 1.00 0.00 H new ATOM 1016 N THR A 69 0.518 4.653 2.746 1.00 0.00 N ATOM 1017 CA THR A 69 0.239 6.080 2.600 1.00 0.00 C ATOM 1018 C THR A 69 1.169 6.719 1.574 1.00 0.00 C ATOM 1019 O THR A 69 2.332 6.994 1.863 1.00 0.00 O ATOM 1020 CB THR A 69 0.395 6.803 3.937 1.00 0.00 C ATOM 1021 OG1 THR A 69 -0.335 6.146 4.954 1.00 0.00 O ATOM 1022 CG2 THR A 69 -0.067 8.242 3.896 1.00 0.00 C ATOM 0 H THR A 69 1.266 4.434 3.404 1.00 0.00 H new ATOM 0 HA THR A 69 -0.791 6.176 2.255 1.00 0.00 H new ATOM 0 HB THR A 69 1.464 6.787 4.149 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.282 5.647 5.529 1.00 0.00 H new ATOM 0 HG21 THR A 69 0.071 8.697 4.877 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.516 8.790 3.156 1.00 0.00 H new ATOM 0 HG23 THR A 69 -1.122 8.278 3.625 1.00 0.00 H new ATOM 1030 N PHE A 70 0.640 6.962 0.385 1.00 0.00 N ATOM 1031 CA PHE A 70 1.410 7.583 -0.672 1.00 0.00 C ATOM 1032 C PHE A 70 1.602 9.064 -0.371 1.00 0.00 C ATOM 1033 O PHE A 70 0.637 9.825 -0.342 1.00 0.00 O ATOM 1034 CB PHE A 70 0.683 7.416 -2.010 1.00 0.00 C ATOM 1035 CG PHE A 70 0.568 5.991 -2.483 1.00 0.00 C ATOM 1036 CD1 PHE A 70 -0.229 5.081 -1.814 1.00 0.00 C ATOM 1037 CD2 PHE A 70 1.260 5.569 -3.606 1.00 0.00 C ATOM 1038 CE1 PHE A 70 -0.337 3.775 -2.255 1.00 0.00 C ATOM 1039 CE2 PHE A 70 1.158 4.264 -4.051 1.00 0.00 C ATOM 1040 CZ PHE A 70 0.355 3.367 -3.374 1.00 0.00 C ATOM 0 H PHE A 70 -0.322 6.737 0.131 1.00 0.00 H new ATOM 0 HA PHE A 70 2.386 7.102 -0.732 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.318 7.838 -1.921 1.00 0.00 H new ATOM 0 HB3 PHE A 70 1.207 7.997 -2.769 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -0.774 5.394 -0.936 1.00 0.00 H new ATOM 0 HD2 PHE A 70 1.887 6.268 -4.140 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -0.964 3.075 -1.722 1.00 0.00 H new ATOM 0 HE2 PHE A 70 1.705 3.947 -4.926 1.00 0.00 H new ATOM 0 HZ PHE A 70 0.270 2.348 -3.721 1.00 0.00 H new ATOM 1050 N ASP A 71 2.843 9.473 -0.145 1.00 0.00 N ATOM 1051 CA ASP A 71 3.125 10.870 0.153 1.00 0.00 C ATOM 1052 C ASP A 71 2.880 11.733 -1.058 1.00 0.00 C ATOM 1053 O ASP A 71 3.777 11.994 -1.861 1.00 0.00 O ATOM 1054 CB ASP A 71 4.556 11.039 0.632 1.00 0.00 C ATOM 1055 CG ASP A 71 4.918 12.491 0.881 1.00 0.00 C ATOM 1056 OD1 ASP A 71 3.993 13.314 1.050 1.00 0.00 O ATOM 1057 OD2 ASP A 71 6.126 12.805 0.904 1.00 0.00 O ATOM 0 H ASP A 71 3.662 8.865 -0.162 1.00 0.00 H new ATOM 0 HA ASP A 71 2.451 11.187 0.949 1.00 0.00 H new ATOM 0 HB2 ASP A 71 4.698 10.470 1.551 1.00 0.00 H new ATOM 0 HB3 ASP A 71 5.236 10.621 -0.110 1.00 0.00 H new ATOM 1062 N PHE A 72 1.644 12.169 -1.170 1.00 0.00 N ATOM 1063 CA PHE A 72 1.211 13.012 -2.271 1.00 0.00 C ATOM 1064 C PHE A 72 1.312 14.485 -1.892 1.00 0.00 C ATOM 1065 O PHE A 72 0.652 15.337 -2.486 1.00 0.00 O ATOM 1066 CB PHE A 72 -0.227 12.672 -2.656 1.00 0.00 C ATOM 1067 CG PHE A 72 -0.351 11.979 -3.983 1.00 0.00 C ATOM 1068 CD1 PHE A 72 -0.297 12.704 -5.161 1.00 0.00 C ATOM 1069 CD2 PHE A 72 -0.523 10.608 -4.051 1.00 0.00 C ATOM 1070 CE1 PHE A 72 -0.411 12.075 -6.383 1.00 0.00 C ATOM 1071 CE2 PHE A 72 -0.639 9.973 -5.270 1.00 0.00 C ATOM 1072 CZ PHE A 72 -0.583 10.708 -6.438 1.00 0.00 C ATOM 0 H PHE A 72 0.907 11.950 -0.500 1.00 0.00 H new ATOM 0 HA PHE A 72 1.864 12.827 -3.124 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -0.660 12.037 -1.883 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -0.814 13.590 -2.680 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -0.164 13.775 -5.123 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -0.567 10.029 -3.140 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -0.366 12.652 -7.295 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -0.773 8.902 -5.311 1.00 0.00 H new ATOM 0 HZ PHE A 72 -0.674 10.213 -7.393 1.00 0.00 H new ATOM 1082 N GLY A 73 2.133 14.780 -0.890 1.00 0.00 N ATOM 1083 CA GLY A 73 2.290 16.149 -0.443 1.00 0.00 C ATOM 1084 C GLY A 73 0.960 16.818 -0.162 1.00 0.00 C ATOM 1085 O GLY A 73 0.872 18.046 -0.110 1.00 0.00 O ATOM 0 H GLY A 73 2.692 14.095 -0.381 1.00 0.00 H new ATOM 0 HA2 GLY A 73 2.901 16.166 0.460 1.00 0.00 H new ATOM 0 HA3 GLY A 73 2.827 16.718 -1.202 1.00 0.00 H new ATOM 1089 N VAL A 74 -0.076 16.005 0.015 1.00 0.00 N ATOM 1090 CA VAL A 74 -1.406 16.522 0.291 1.00 0.00 C ATOM 1091 C VAL A 74 -1.857 16.145 1.698 1.00 0.00 C ATOM 1092 O VAL A 74 -2.600 16.886 2.340 1.00 0.00 O ATOM 1093 CB VAL A 74 -2.436 15.996 -0.719 1.00 0.00 C ATOM 1094 CG1 VAL A 74 -2.069 16.431 -2.129 1.00 0.00 C ATOM 1095 CG2 VAL A 74 -2.543 14.480 -0.632 1.00 0.00 C ATOM 0 H VAL A 74 -0.018 14.988 -0.028 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.347 17.607 0.205 1.00 0.00 H new ATOM 0 HB VAL A 74 -3.409 16.421 -0.473 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.810 16.049 -2.832 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -2.047 17.520 -2.180 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.086 16.036 -2.387 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.278 14.125 -1.355 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.573 14.034 -0.851 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.855 14.194 0.373 1.00 0.00 H new ATOM 1105 N GLY A 75 -1.403 14.988 2.170 1.00 0.00 N ATOM 1106 CA GLY A 75 -1.772 14.534 3.499 1.00 0.00 C ATOM 1107 C GLY A 75 -3.257 14.294 3.643 1.00 0.00 C ATOM 1108 O GLY A 75 -3.718 13.153 3.649 1.00 0.00 O ATOM 0 H GLY A 75 -0.787 14.357 1.657 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.236 13.612 3.725 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.455 15.275 4.233 1.00 0.00 H new ATOM 1112 N THR A 76 -4.005 15.375 3.766 1.00 0.00 N ATOM 1113 CA THR A 76 -5.456 15.304 3.919 1.00 0.00 C ATOM 1114 C THR A 76 -6.069 14.347 2.900 1.00 0.00 C ATOM 1115 O THR A 76 -6.658 13.329 3.264 1.00 0.00 O ATOM 1116 CB THR A 76 -6.073 16.691 3.762 1.00 0.00 C ATOM 1117 OG1 THR A 76 -5.539 17.588 4.719 1.00 0.00 O ATOM 1118 CG2 THR A 76 -7.578 16.700 3.915 1.00 0.00 C ATOM 0 H THR A 76 -3.632 16.324 3.763 1.00 0.00 H new ATOM 0 HA THR A 76 -5.670 14.926 4.919 1.00 0.00 H new ATOM 0 HB THR A 76 -5.827 17.002 2.747 1.00 0.00 H new ATOM 0 HG1 THR A 76 -5.945 18.472 4.601 1.00 0.00 H new ATOM 0 HG21 THR A 76 -7.950 17.717 3.792 1.00 0.00 H new ATOM 0 HG22 THR A 76 -8.025 16.056 3.158 1.00 0.00 H new ATOM 0 HG23 THR A 76 -7.845 16.334 4.906 1.00 0.00 H new ATOM 1126 N LYS A 77 -5.926 14.683 1.622 1.00 0.00 N ATOM 1127 CA LYS A 77 -6.467 13.860 0.552 1.00 0.00 C ATOM 1128 C LYS A 77 -5.474 12.783 0.130 1.00 0.00 C ATOM 1129 O LYS A 77 -5.652 12.126 -0.892 1.00 0.00 O ATOM 1130 CB LYS A 77 -6.839 14.729 -0.647 1.00 0.00 C ATOM 1131 CG LYS A 77 -7.409 16.086 -0.265 1.00 0.00 C ATOM 1132 CD LYS A 77 -8.791 16.298 -0.864 1.00 0.00 C ATOM 1133 CE LYS A 77 -8.743 16.292 -2.384 1.00 0.00 C ATOM 1134 NZ LYS A 77 -9.049 17.635 -2.953 1.00 0.00 N ATOM 0 H LYS A 77 -5.439 15.521 1.304 1.00 0.00 H new ATOM 0 HA LYS A 77 -7.364 13.367 0.927 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -5.954 14.878 -1.265 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -7.569 14.197 -1.258 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -7.466 16.166 0.821 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -6.738 16.873 -0.608 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -9.464 15.514 -0.516 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -9.199 17.247 -0.515 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -7.755 15.974 -2.715 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -9.457 15.564 -2.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -9.713 17.533 -3.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -9.477 18.234 -2.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -8.171 18.077 -3.292 1.00 0.00 H new ATOM 1148 N ASN A 78 -4.430 12.606 0.928 1.00 0.00 N ATOM 1149 CA ASN A 78 -3.405 11.606 0.640 1.00 0.00 C ATOM 1150 C ASN A 78 -3.983 10.195 0.721 1.00 0.00 C ATOM 1151 O ASN A 78 -4.348 9.726 1.800 1.00 0.00 O ATOM 1152 CB ASN A 78 -2.241 11.749 1.623 1.00 0.00 C ATOM 1153 CG ASN A 78 -1.153 10.720 1.394 1.00 0.00 C ATOM 1154 OD1 ASN A 78 -1.410 9.626 0.893 1.00 0.00 O ATOM 1155 ND2 ASN A 78 0.070 11.066 1.763 1.00 0.00 N ATOM 0 H ASN A 78 -4.268 13.141 1.781 1.00 0.00 H new ATOM 0 HA ASN A 78 -3.042 11.772 -0.374 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -1.815 12.748 1.533 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -2.617 11.654 2.642 1.00 0.00 H new ATOM 0 HD21 ASN A 78 0.845 10.415 1.636 1.00 0.00 H new ATOM 0 HD22 ASN A 78 0.238 11.984 2.175 1.00 0.00 H new ATOM 1162 N PRO A 79 -4.075 9.492 -0.415 1.00 0.00 N ATOM 1163 CA PRO A 79 -4.610 8.129 -0.459 1.00 0.00 C ATOM 1164 C PRO A 79 -3.867 7.188 0.475 1.00 0.00 C ATOM 1165 O PRO A 79 -2.801 6.671 0.138 1.00 0.00 O ATOM 1166 CB PRO A 79 -4.409 7.689 -1.916 1.00 0.00 C ATOM 1167 CG PRO A 79 -3.472 8.688 -2.514 1.00 0.00 C ATOM 1168 CD PRO A 79 -3.668 9.963 -1.746 1.00 0.00 C ATOM 0 HA PRO A 79 -5.651 8.103 -0.137 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -3.993 6.683 -1.967 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -5.357 7.670 -2.454 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -2.440 8.345 -2.441 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -3.685 8.835 -3.573 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -2.752 10.552 -1.702 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -4.431 10.594 -2.201 1.00 0.00 H new ATOM 1176 N LYS A 80 -4.437 6.965 1.651 1.00 0.00 N ATOM 1177 CA LYS A 80 -3.835 6.077 2.636 1.00 0.00 C ATOM 1178 C LYS A 80 -4.404 4.670 2.497 1.00 0.00 C ATOM 1179 O LYS A 80 -5.613 4.473 2.589 1.00 0.00 O ATOM 1180 CB LYS A 80 -4.083 6.590 4.059 1.00 0.00 C ATOM 1181 CG LYS A 80 -4.358 8.084 4.151 1.00 0.00 C ATOM 1182 CD LYS A 80 -3.076 8.895 4.077 1.00 0.00 C ATOM 1183 CE LYS A 80 -3.287 10.316 4.575 1.00 0.00 C ATOM 1184 NZ LYS A 80 -1.997 11.041 4.749 1.00 0.00 N ATOM 0 H LYS A 80 -5.317 7.388 1.947 1.00 0.00 H new ATOM 0 HA LYS A 80 -2.761 6.053 2.454 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -4.929 6.051 4.484 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -3.214 6.355 4.673 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -5.025 8.382 3.342 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -4.874 8.303 5.086 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -2.303 8.410 4.673 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -2.718 8.918 3.048 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -3.916 10.858 3.869 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -3.821 10.292 5.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -2.161 12.065 4.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -1.601 10.825 5.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -1.327 10.740 4.012 1.00 0.00 H new ATOM 1198 N LEU A 81 -3.531 3.693 2.276 1.00 0.00 N ATOM 1199 CA LEU A 81 -3.958 2.316 2.131 1.00 0.00 C ATOM 1200 C LEU A 81 -3.846 1.588 3.458 1.00 0.00 C ATOM 1201 O LEU A 81 -2.886 1.787 4.200 1.00 0.00 O ATOM 1202 CB LEU A 81 -3.115 1.601 1.077 1.00 0.00 C ATOM 1203 CG LEU A 81 -3.906 0.839 0.019 1.00 0.00 C ATOM 1204 CD1 LEU A 81 -2.978 -0.030 -0.809 1.00 0.00 C ATOM 1205 CD2 LEU A 81 -4.991 -0.008 0.668 1.00 0.00 C ATOM 0 H LEU A 81 -2.524 3.835 2.194 1.00 0.00 H new ATOM 0 HA LEU A 81 -4.999 2.313 1.809 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -2.486 2.338 0.577 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.448 0.902 1.582 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.385 1.562 -0.641 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.557 -0.568 -1.560 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.236 0.598 -1.303 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.473 -0.745 -0.159 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.544 -0.544 -0.103 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.534 -0.724 1.351 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.673 0.637 1.222 1.00 0.00 H new ATOM 1217 N THR A 82 -4.820 0.744 3.758 1.00 0.00 N ATOM 1218 CA THR A 82 -4.798 -0.001 5.002 1.00 0.00 C ATOM 1219 C THR A 82 -4.745 -1.497 4.738 1.00 0.00 C ATOM 1220 O THR A 82 -5.774 -2.177 4.705 1.00 0.00 O ATOM 1221 CB THR A 82 -6.017 0.341 5.858 1.00 0.00 C ATOM 1222 OG1 THR A 82 -6.395 1.692 5.674 1.00 0.00 O ATOM 1223 CG2 THR A 82 -5.791 0.126 7.339 1.00 0.00 C ATOM 0 H THR A 82 -5.627 0.560 3.162 1.00 0.00 H new ATOM 0 HA THR A 82 -3.898 0.284 5.547 1.00 0.00 H new ATOM 0 HB THR A 82 -6.801 -0.339 5.525 1.00 0.00 H new ATOM 0 HG1 THR A 82 -6.902 1.779 4.840 1.00 0.00 H new ATOM 0 HG21 THR A 82 -6.696 0.388 7.887 1.00 0.00 H new ATOM 0 HG22 THR A 82 -5.546 -0.920 7.522 1.00 0.00 H new ATOM 0 HG23 THR A 82 -4.968 0.755 7.677 1.00 0.00 H new ATOM 1231 N ILE A 83 -3.533 -2.006 4.548 1.00 0.00 N ATOM 1232 CA ILE A 83 -3.324 -3.422 4.289 1.00 0.00 C ATOM 1233 C ILE A 83 -2.812 -4.131 5.545 1.00 0.00 C ATOM 1234 O ILE A 83 -1.727 -3.834 6.051 1.00 0.00 O ATOM 1235 CB ILE A 83 -2.334 -3.631 3.122 1.00 0.00 C ATOM 1236 CG1 ILE A 83 -2.058 -5.118 2.904 1.00 0.00 C ATOM 1237 CG2 ILE A 83 -1.041 -2.878 3.374 1.00 0.00 C ATOM 1238 CD1 ILE A 83 -1.570 -5.435 1.508 1.00 0.00 C ATOM 0 H ILE A 83 -2.676 -1.453 4.569 1.00 0.00 H new ATOM 0 HA ILE A 83 -4.284 -3.855 4.008 1.00 0.00 H new ATOM 0 HB ILE A 83 -2.790 -3.233 2.215 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.314 -5.453 3.627 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -2.969 -5.683 3.100 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.358 -3.039 2.540 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -1.253 -1.813 3.469 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -0.582 -3.240 4.294 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.393 -6.507 1.419 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -2.323 -5.130 0.781 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -0.642 -4.897 1.316 1.00 0.00 H new ATOM 1250 N THR A 84 -3.611 -5.062 6.057 1.00 0.00 N ATOM 1251 CA THR A 84 -3.250 -5.797 7.260 1.00 0.00 C ATOM 1252 C THR A 84 -2.579 -7.122 6.919 1.00 0.00 C ATOM 1253 O THR A 84 -3.158 -7.972 6.237 1.00 0.00 O ATOM 1254 CB THR A 84 -4.480 -6.033 8.146 1.00 0.00 C ATOM 1255 OG1 THR A 84 -4.504 -7.361 8.638 1.00 0.00 O ATOM 1256 CG2 THR A 84 -5.801 -5.780 7.448 1.00 0.00 C ATOM 0 H THR A 84 -4.512 -5.324 5.656 1.00 0.00 H new ATOM 0 HA THR A 84 -2.535 -5.189 7.815 1.00 0.00 H new ATOM 0 HB THR A 84 -4.378 -5.310 8.956 1.00 0.00 H new ATOM 0 HG1 THR A 84 -5.296 -7.487 9.201 1.00 0.00 H new ATOM 0 HG21 THR A 84 -6.621 -5.969 8.141 1.00 0.00 H new ATOM 0 HG22 THR A 84 -5.842 -4.744 7.111 1.00 0.00 H new ATOM 0 HG23 THR A 84 -5.892 -6.445 6.589 1.00 0.00 H new ATOM 1264 N VAL A 85 -1.356 -7.285 7.405 1.00 0.00 N ATOM 1265 CA VAL A 85 -0.584 -8.499 7.170 1.00 0.00 C ATOM 1266 C VAL A 85 -0.613 -9.406 8.397 1.00 0.00 C ATOM 1267 O VAL A 85 -0.018 -9.090 9.426 1.00 0.00 O ATOM 1268 CB VAL A 85 0.881 -8.183 6.818 1.00 0.00 C ATOM 1269 CG1 VAL A 85 1.189 -8.593 5.387 1.00 0.00 C ATOM 1270 CG2 VAL A 85 1.195 -6.708 7.031 1.00 0.00 C ATOM 0 H VAL A 85 -0.873 -6.586 7.969 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.047 -9.008 6.325 1.00 0.00 H new ATOM 0 HB VAL A 85 1.517 -8.761 7.489 1.00 0.00 H new ATOM 0 HG11 VAL A 85 2.229 -8.361 5.158 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.022 -9.664 5.271 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.537 -8.048 4.704 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.237 -6.517 6.774 1.00 0.00 H new ATOM 0 HG22 VAL A 85 0.548 -6.103 6.396 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.025 -6.447 8.076 1.00 0.00 H new ATOM 1280 N LEU A 86 -1.308 -10.532 8.279 1.00 0.00 N ATOM 1281 CA LEU A 86 -1.408 -11.484 9.380 1.00 0.00 C ATOM 1282 C LEU A 86 -0.112 -12.277 9.516 1.00 0.00 C ATOM 1283 O LEU A 86 0.786 -12.150 8.687 1.00 0.00 O ATOM 1284 CB LEU A 86 -2.591 -12.434 9.169 1.00 0.00 C ATOM 1285 CG LEU A 86 -3.819 -11.811 8.496 1.00 0.00 C ATOM 1286 CD1 LEU A 86 -4.465 -12.801 7.544 1.00 0.00 C ATOM 1287 CD2 LEU A 86 -4.819 -11.350 9.547 1.00 0.00 C ATOM 0 H LEU A 86 -1.809 -10.808 7.435 1.00 0.00 H new ATOM 0 HA LEU A 86 -1.575 -10.925 10.301 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -2.255 -13.278 8.566 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.892 -12.834 10.137 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.496 -10.944 7.920 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -5.335 -12.341 7.076 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.748 -13.087 6.775 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.777 -13.687 8.097 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.686 -10.909 9.055 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.136 -12.203 10.147 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.351 -10.607 10.193 1.00 0.00 H new