USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 741 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 62 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 65 LYS NZ :NH3+ -130:sc= -0.223 (180deg=-0.262) USER MOD Single : A 1 GLY N :NH3+ -118:sc= 0.0736 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.327 USER MOD Single : A 16 LYS NZ :NH3+ 164:sc= -1.49! (180deg=-2.22!) USER MOD Single : A 18 CYS SG : rot -61:sc= -2.47 USER MOD Single : A 22 MET CE :methyl -168:sc= -14! (180deg=-15!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.112 X(o=-0.11,f=-0.3) USER MOD Single : A 29 ASN : amide:sc= -0.113 K(o=-0.11,f=-2!) USER MOD Single : A 30 GLN : amide:sc= 0.322 X(o=0.32,f=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 132:sc= -0.304 (180deg=-1.35!) USER MOD Single : A 42 ASN : amide:sc= -0.362! K(o=-0.36!,f=-1) USER MOD Single : A 44 CYS SG : rot 180:sc= -2.95 USER MOD Single : A 45 ASN : amide:sc= -1.45! C(o=-1.4!,f=-13!) USER MOD Single : A 49 GLN : amide:sc= -8.19! C(o=-8.2!,f=-14!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=-0.051) USER MOD Single : A 72 ASN : amide:sc= -0.0207 X(o=-0.021,f=-0.24) USER MOD Single : A 75 LYS NZ :NH3+ 147:sc= -0.374 (180deg=-1.5) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -0.111 K(o=-0.11,f=-1.8!) USER MOD Single : A 89 SER OG : rot 10:sc= 0.784 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.746 0.130 -0.831 1.00 0.00 N ATOM 2 CA GLY A 1 13.200 -0.598 -1.962 1.00 0.00 C ATOM 3 C GLY A 1 13.576 0.027 -3.290 1.00 0.00 C ATOM 4 O GLY A 1 14.369 0.967 -3.340 1.00 0.00 O ATOM 0 H1 GLY A 1 14.394 -0.487 -0.301 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.264 0.965 -1.173 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.971 0.435 -0.208 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.557 -1.627 -1.934 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.114 -0.635 -1.876 1.00 0.00 H new ATOM 8 N SER A 2 13.006 -0.497 -4.371 1.00 0.00 N ATOM 9 CA SER A 2 13.291 0.012 -5.708 1.00 0.00 C ATOM 10 C SER A 2 12.144 0.882 -6.213 1.00 0.00 C ATOM 11 O SER A 2 12.361 1.987 -6.711 1.00 0.00 O ATOM 12 CB SER A 2 13.532 -1.147 -6.677 1.00 0.00 C ATOM 13 OG SER A 2 13.679 -0.678 -8.006 1.00 0.00 O ATOM 0 H SER A 2 12.345 -1.273 -4.347 1.00 0.00 H new ATOM 0 HA SER A 2 14.192 0.624 -5.653 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.427 -1.694 -6.380 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.699 -1.848 -6.625 1.00 0.00 H new ATOM 0 HG SER A 2 13.833 -1.438 -8.606 1.00 0.00 H new ATOM 19 N SER A 3 10.922 0.375 -6.081 1.00 0.00 N ATOM 20 CA SER A 3 9.740 1.103 -6.527 1.00 0.00 C ATOM 21 C SER A 3 8.537 0.778 -5.647 1.00 0.00 C ATOM 22 O SER A 3 8.372 -0.355 -5.196 1.00 0.00 O ATOM 23 CB SER A 3 9.426 0.763 -7.985 1.00 0.00 C ATOM 24 OG SER A 3 8.847 -0.525 -8.095 1.00 0.00 O ATOM 0 H SER A 3 10.725 -0.537 -5.669 1.00 0.00 H new ATOM 0 HA SER A 3 9.949 2.170 -6.447 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.745 1.508 -8.397 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.340 0.806 -8.577 1.00 0.00 H new ATOM 0 HG SER A 3 8.654 -0.718 -9.036 1.00 0.00 H new ATOM 30 N GLY A 4 7.699 1.781 -5.406 1.00 0.00 N ATOM 31 CA GLY A 4 6.522 1.583 -4.580 1.00 0.00 C ATOM 32 C GLY A 4 6.762 1.953 -3.130 1.00 0.00 C ATOM 33 O GLY A 4 7.849 1.732 -2.598 1.00 0.00 O ATOM 0 H GLY A 4 7.814 2.728 -5.768 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.701 2.182 -4.973 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.212 0.540 -4.639 1.00 0.00 H new ATOM 37 N SER A 5 5.744 2.520 -2.490 1.00 0.00 N ATOM 38 CA SER A 5 5.851 2.927 -1.094 1.00 0.00 C ATOM 39 C SER A 5 6.132 1.725 -0.197 1.00 0.00 C ATOM 40 O SER A 5 6.493 1.877 0.970 1.00 0.00 O ATOM 41 CB SER A 5 4.565 3.623 -0.643 1.00 0.00 C ATOM 42 OG SER A 5 3.456 2.745 -0.720 1.00 0.00 O ATOM 0 H SER A 5 4.836 2.708 -2.916 1.00 0.00 H new ATOM 0 HA SER A 5 6.684 3.625 -1.009 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.680 3.979 0.381 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.384 4.498 -1.267 1.00 0.00 H new ATOM 0 HG SER A 5 2.647 3.213 -0.425 1.00 0.00 H new ATOM 48 N SER A 6 5.964 0.529 -0.752 1.00 0.00 N ATOM 49 CA SER A 6 6.196 -0.701 -0.003 1.00 0.00 C ATOM 50 C SER A 6 7.676 -1.071 -0.011 1.00 0.00 C ATOM 51 O SER A 6 8.337 -1.010 -1.047 1.00 0.00 O ATOM 52 CB SER A 6 5.369 -1.846 -0.592 1.00 0.00 C ATOM 53 OG SER A 6 5.610 -3.058 0.101 1.00 0.00 O ATOM 0 H SER A 6 5.668 0.385 -1.718 1.00 0.00 H new ATOM 0 HA SER A 6 5.887 -0.533 1.029 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.309 -1.598 -0.539 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.615 -1.971 -1.647 1.00 0.00 H new ATOM 0 HG SER A 6 5.069 -3.773 -0.293 1.00 0.00 H new ATOM 59 N GLY A 7 8.190 -1.456 1.153 1.00 0.00 N ATOM 60 CA GLY A 7 9.588 -1.830 1.260 1.00 0.00 C ATOM 61 C GLY A 7 9.957 -2.305 2.651 1.00 0.00 C ATOM 62 O GLY A 7 9.409 -3.292 3.143 1.00 0.00 O ATOM 0 H GLY A 7 7.663 -1.516 2.024 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.806 -2.619 0.540 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.211 -0.976 0.994 1.00 0.00 H new ATOM 66 N ARG A 8 10.889 -1.603 3.287 1.00 0.00 N ATOM 67 CA ARG A 8 11.332 -1.960 4.629 1.00 0.00 C ATOM 68 C ARG A 8 11.403 -3.475 4.793 1.00 0.00 C ATOM 69 O ARG A 8 11.137 -4.007 5.870 1.00 0.00 O ATOM 70 CB ARG A 8 10.388 -1.367 5.676 1.00 0.00 C ATOM 71 CG ARG A 8 8.969 -1.906 5.591 1.00 0.00 C ATOM 72 CD ARG A 8 8.032 -1.157 6.526 1.00 0.00 C ATOM 73 NE ARG A 8 6.628 -1.382 6.189 1.00 0.00 N ATOM 74 CZ ARG A 8 6.050 -0.903 5.094 1.00 0.00 C ATOM 75 NH1 ARG A 8 6.750 -0.177 4.234 1.00 0.00 N ATOM 76 NH2 ARG A 8 4.768 -1.151 4.857 1.00 0.00 N ATOM 0 H ARG A 8 11.352 -0.783 2.894 1.00 0.00 H new ATOM 0 HA ARG A 8 12.331 -1.548 4.776 1.00 0.00 H new ATOM 0 HB2 ARG A 8 10.787 -1.572 6.670 1.00 0.00 H new ATOM 0 HB3 ARG A 8 10.364 -0.284 5.559 1.00 0.00 H new ATOM 0 HG2 ARG A 8 8.607 -1.821 4.566 1.00 0.00 H new ATOM 0 HG3 ARG A 8 8.966 -2.966 5.843 1.00 0.00 H new ATOM 0 HD2 ARG A 8 8.214 -1.475 7.553 1.00 0.00 H new ATOM 0 HD3 ARG A 8 8.250 -0.090 6.479 1.00 0.00 H new ATOM 0 HE ARG A 8 6.061 -1.937 6.830 1.00 0.00 H new ATOM 0 HH11 ARG A 8 7.736 0.015 4.413 1.00 0.00 H new ATOM 0 HH12 ARG A 8 6.303 0.190 3.394 1.00 0.00 H new ATOM 0 HH21 ARG A 8 4.226 -1.710 5.516 1.00 0.00 H new ATOM 0 HH22 ARG A 8 4.324 -0.783 4.016 1.00 0.00 H new ATOM 90 N GLY A 9 11.765 -4.166 3.715 1.00 0.00 N ATOM 91 CA GLY A 9 11.864 -5.613 3.760 1.00 0.00 C ATOM 92 C GLY A 9 12.633 -6.104 4.970 1.00 0.00 C ATOM 93 O GLY A 9 13.786 -5.728 5.176 1.00 0.00 O ATOM 0 H GLY A 9 11.991 -3.749 2.812 1.00 0.00 H new ATOM 0 HA2 GLY A 9 10.862 -6.042 3.771 1.00 0.00 H new ATOM 0 HA3 GLY A 9 12.353 -5.969 2.853 1.00 0.00 H new ATOM 97 N SER A 10 11.992 -6.946 5.774 1.00 0.00 N ATOM 98 CA SER A 10 12.621 -7.486 6.974 1.00 0.00 C ATOM 99 C SER A 10 13.497 -8.688 6.634 1.00 0.00 C ATOM 100 O SER A 10 13.016 -9.818 6.558 1.00 0.00 O ATOM 101 CB SER A 10 11.557 -7.889 7.997 1.00 0.00 C ATOM 102 OG SER A 10 12.079 -7.860 9.314 1.00 0.00 O ATOM 0 H SER A 10 11.037 -7.269 5.616 1.00 0.00 H new ATOM 0 HA SER A 10 13.252 -6.708 7.405 1.00 0.00 H new ATOM 0 HB2 SER A 10 10.705 -7.213 7.925 1.00 0.00 H new ATOM 0 HB3 SER A 10 11.190 -8.890 7.770 1.00 0.00 H new ATOM 0 HG SER A 10 11.379 -8.120 9.949 1.00 0.00 H new ATOM 108 N ARG A 11 14.786 -8.434 6.431 1.00 0.00 N ATOM 109 CA ARG A 11 15.730 -9.494 6.099 1.00 0.00 C ATOM 110 C ARG A 11 15.080 -10.537 5.193 1.00 0.00 C ATOM 111 O ARG A 11 15.203 -11.739 5.425 1.00 0.00 O ATOM 112 CB ARG A 11 16.249 -10.163 7.373 1.00 0.00 C ATOM 113 CG ARG A 11 15.152 -10.772 8.231 1.00 0.00 C ATOM 114 CD ARG A 11 15.718 -11.398 9.496 1.00 0.00 C ATOM 115 NE ARG A 11 14.826 -12.413 10.051 1.00 0.00 N ATOM 116 CZ ARG A 11 15.103 -13.117 11.142 1.00 0.00 C ATOM 117 NH1 ARG A 11 16.240 -12.917 11.794 1.00 0.00 N ATOM 118 NH2 ARG A 11 14.240 -14.023 11.585 1.00 0.00 N ATOM 0 H ARG A 11 15.200 -7.504 6.491 1.00 0.00 H new ATOM 0 HA ARG A 11 16.568 -9.045 5.566 1.00 0.00 H new ATOM 0 HB2 ARG A 11 16.960 -10.943 7.100 1.00 0.00 H new ATOM 0 HB3 ARG A 11 16.794 -9.427 7.964 1.00 0.00 H new ATOM 0 HG2 ARG A 11 14.427 -10.003 8.497 1.00 0.00 H new ATOM 0 HG3 ARG A 11 14.617 -11.529 7.657 1.00 0.00 H new ATOM 0 HD2 ARG A 11 16.686 -11.848 9.276 1.00 0.00 H new ATOM 0 HD3 ARG A 11 15.889 -10.620 10.240 1.00 0.00 H new ATOM 0 HE ARG A 11 13.942 -12.591 9.574 1.00 0.00 H new ATOM 0 HH11 ARG A 11 16.905 -12.221 11.458 1.00 0.00 H new ATOM 0 HH12 ARG A 11 16.450 -13.460 12.632 1.00 0.00 H new ATOM 0 HH21 ARG A 11 13.363 -14.179 11.087 1.00 0.00 H new ATOM 0 HH22 ARG A 11 14.453 -14.564 12.423 1.00 0.00 H new ATOM 132 N PHE A 12 14.387 -10.067 4.161 1.00 0.00 N ATOM 133 CA PHE A 12 13.716 -10.958 3.221 1.00 0.00 C ATOM 134 C PHE A 12 13.609 -10.312 1.843 1.00 0.00 C ATOM 135 O PHE A 12 13.901 -9.128 1.673 1.00 0.00 O ATOM 136 CB PHE A 12 12.323 -11.321 3.737 1.00 0.00 C ATOM 137 CG PHE A 12 11.623 -12.353 2.898 1.00 0.00 C ATOM 138 CD1 PHE A 12 12.119 -13.643 2.808 1.00 0.00 C ATOM 139 CD2 PHE A 12 10.471 -12.032 2.200 1.00 0.00 C ATOM 140 CE1 PHE A 12 11.478 -14.595 2.038 1.00 0.00 C ATOM 141 CE2 PHE A 12 9.825 -12.979 1.428 1.00 0.00 C ATOM 142 CZ PHE A 12 10.330 -14.262 1.346 1.00 0.00 C ATOM 0 H PHE A 12 14.275 -9.074 3.954 1.00 0.00 H new ATOM 0 HA PHE A 12 14.310 -11.867 3.131 1.00 0.00 H new ATOM 0 HB2 PHE A 12 12.408 -11.691 4.759 1.00 0.00 H new ATOM 0 HB3 PHE A 12 11.712 -10.419 3.775 1.00 0.00 H new ATOM 0 HD1 PHE A 12 13.017 -13.908 3.346 1.00 0.00 H new ATOM 0 HD2 PHE A 12 10.073 -11.030 2.260 1.00 0.00 H new ATOM 0 HE1 PHE A 12 11.874 -15.598 1.977 1.00 0.00 H new ATOM 0 HE2 PHE A 12 8.926 -12.716 0.890 1.00 0.00 H new ATOM 0 HZ PHE A 12 9.828 -15.003 0.742 1.00 0.00 H new ATOM 152 N THR A 13 13.187 -11.100 0.858 1.00 0.00 N ATOM 153 CA THR A 13 13.042 -10.608 -0.506 1.00 0.00 C ATOM 154 C THR A 13 12.005 -11.418 -1.275 1.00 0.00 C ATOM 155 O THR A 13 11.841 -12.616 -1.042 1.00 0.00 O ATOM 156 CB THR A 13 14.381 -10.657 -1.266 1.00 0.00 C ATOM 157 OG1 THR A 13 15.464 -10.388 -0.369 1.00 0.00 O ATOM 158 CG2 THR A 13 14.395 -9.646 -2.403 1.00 0.00 C ATOM 0 H THR A 13 12.940 -12.082 0.980 1.00 0.00 H new ATOM 0 HA THR A 13 12.710 -9.572 -0.435 1.00 0.00 H new ATOM 0 HB THR A 13 14.498 -11.656 -1.687 1.00 0.00 H new ATOM 0 HG1 THR A 13 16.312 -10.423 -0.860 1.00 0.00 H new ATOM 0 HG21 THR A 13 15.350 -9.699 -2.925 1.00 0.00 H new ATOM 0 HG22 THR A 13 13.588 -9.871 -3.100 1.00 0.00 H new ATOM 0 HG23 THR A 13 14.257 -8.643 -2.000 1.00 0.00 H new ATOM 166 N TRP A 14 11.307 -10.758 -2.192 1.00 0.00 N ATOM 167 CA TRP A 14 10.285 -11.417 -2.997 1.00 0.00 C ATOM 168 C TRP A 14 10.744 -11.569 -4.443 1.00 0.00 C ATOM 169 O TRP A 14 10.862 -10.584 -5.172 1.00 0.00 O ATOM 170 CB TRP A 14 8.977 -10.627 -2.944 1.00 0.00 C ATOM 171 CG TRP A 14 8.134 -10.952 -1.748 1.00 0.00 C ATOM 172 CD1 TRP A 14 7.778 -10.102 -0.740 1.00 0.00 C ATOM 173 CD2 TRP A 14 7.543 -12.218 -1.435 1.00 0.00 C ATOM 174 NE1 TRP A 14 7.002 -10.763 0.181 1.00 0.00 N ATOM 175 CE2 TRP A 14 6.842 -12.063 -0.223 1.00 0.00 C ATOM 176 CE3 TRP A 14 7.536 -13.468 -2.061 1.00 0.00 C ATOM 177 CZ2 TRP A 14 6.145 -13.110 0.373 1.00 0.00 C ATOM 178 CZ3 TRP A 14 6.844 -14.506 -1.468 1.00 0.00 C ATOM 179 CH2 TRP A 14 6.155 -14.322 -0.262 1.00 0.00 C ATOM 0 H TRP A 14 11.430 -9.766 -2.397 1.00 0.00 H new ATOM 0 HA TRP A 14 10.118 -12.411 -2.583 1.00 0.00 H new ATOM 0 HB2 TRP A 14 9.205 -9.561 -2.940 1.00 0.00 H new ATOM 0 HB3 TRP A 14 8.403 -10.827 -3.849 1.00 0.00 H new ATOM 0 HD1 TRP A 14 8.065 -9.063 -0.676 1.00 0.00 H new ATOM 0 HE1 TRP A 14 6.609 -10.353 1.028 1.00 0.00 H new ATOM 0 HE3 TRP A 14 8.062 -13.619 -2.992 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 5.615 -12.971 1.304 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 6.834 -15.476 -1.942 1.00 0.00 H new ATOM 0 HH2 TRP A 14 5.621 -15.153 0.175 1.00 0.00 H new ATOM 190 N ARG A 15 11.001 -12.807 -4.851 1.00 0.00 N ATOM 191 CA ARG A 15 11.448 -13.087 -6.210 1.00 0.00 C ATOM 192 C ARG A 15 10.287 -12.988 -7.195 1.00 0.00 C ATOM 193 O ARG A 15 9.136 -13.247 -6.843 1.00 0.00 O ATOM 194 CB ARG A 15 12.080 -14.478 -6.286 1.00 0.00 C ATOM 195 CG ARG A 15 13.306 -14.640 -5.403 1.00 0.00 C ATOM 196 CD ARG A 15 14.485 -13.841 -5.936 1.00 0.00 C ATOM 197 NE ARG A 15 15.374 -13.398 -4.865 1.00 0.00 N ATOM 198 CZ ARG A 15 16.335 -12.496 -5.034 1.00 0.00 C ATOM 199 NH1 ARG A 15 16.528 -11.943 -6.224 1.00 0.00 N ATOM 200 NH2 ARG A 15 17.103 -12.143 -4.011 1.00 0.00 N ATOM 0 H ARG A 15 10.907 -13.633 -4.260 1.00 0.00 H new ATOM 0 HA ARG A 15 12.196 -12.342 -6.481 1.00 0.00 H new ATOM 0 HB2 ARG A 15 11.336 -15.222 -6.000 1.00 0.00 H new ATOM 0 HB3 ARG A 15 12.357 -14.686 -7.319 1.00 0.00 H new ATOM 0 HG2 ARG A 15 13.072 -14.313 -4.390 1.00 0.00 H new ATOM 0 HG3 ARG A 15 13.576 -15.694 -5.344 1.00 0.00 H new ATOM 0 HD2 ARG A 15 15.046 -14.451 -6.644 1.00 0.00 H new ATOM 0 HD3 ARG A 15 14.117 -12.974 -6.484 1.00 0.00 H new ATOM 0 HE ARG A 15 15.250 -13.803 -3.937 1.00 0.00 H new ATOM 0 HH11 ARG A 15 15.938 -12.210 -7.012 1.00 0.00 H new ATOM 0 HH12 ARG A 15 17.266 -11.251 -6.351 1.00 0.00 H new ATOM 0 HH21 ARG A 15 16.956 -12.564 -3.094 1.00 0.00 H new ATOM 0 HH22 ARG A 15 17.840 -11.451 -4.142 1.00 0.00 H new ATOM 214 N LYS A 16 10.597 -12.612 -8.431 1.00 0.00 N ATOM 215 CA LYS A 16 9.581 -12.480 -9.469 1.00 0.00 C ATOM 216 C LYS A 16 8.804 -13.781 -9.638 1.00 0.00 C ATOM 217 O LYS A 16 7.634 -13.770 -10.019 1.00 0.00 O ATOM 218 CB LYS A 16 10.228 -12.083 -10.798 1.00 0.00 C ATOM 219 CG LYS A 16 10.892 -10.717 -10.767 1.00 0.00 C ATOM 220 CD LYS A 16 9.898 -9.608 -11.070 1.00 0.00 C ATOM 221 CE LYS A 16 9.769 -9.368 -12.566 1.00 0.00 C ATOM 222 NZ LYS A 16 9.186 -10.545 -13.268 1.00 0.00 N ATOM 0 H LYS A 16 11.545 -12.393 -8.739 1.00 0.00 H new ATOM 0 HA LYS A 16 8.885 -11.699 -9.164 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.971 -12.833 -11.069 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.468 -12.091 -11.579 1.00 0.00 H new ATOM 0 HG2 LYS A 16 11.337 -10.550 -9.786 1.00 0.00 H new ATOM 0 HG3 LYS A 16 11.703 -10.689 -11.495 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.924 -9.869 -10.657 1.00 0.00 H new ATOM 0 HD3 LYS A 16 10.217 -8.688 -10.579 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.142 -8.494 -12.741 1.00 0.00 H new ATOM 0 HE3 LYS A 16 10.751 -9.145 -12.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.864 -10.260 -14.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.908 -11.289 -13.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.379 -10.910 -12.723 1.00 0.00 H new ATOM 236 N GLU A 17 9.462 -14.900 -9.351 1.00 0.00 N ATOM 237 CA GLU A 17 8.831 -16.209 -9.472 1.00 0.00 C ATOM 238 C GLU A 17 7.771 -16.403 -8.391 1.00 0.00 C ATOM 239 O GLU A 17 6.663 -16.863 -8.670 1.00 0.00 O ATOM 240 CB GLU A 17 9.881 -17.317 -9.376 1.00 0.00 C ATOM 241 CG GLU A 17 11.097 -17.081 -10.256 1.00 0.00 C ATOM 242 CD GLU A 17 10.743 -16.994 -11.728 1.00 0.00 C ATOM 243 OE1 GLU A 17 10.219 -15.943 -12.152 1.00 0.00 O ATOM 244 OE2 GLU A 17 10.992 -17.977 -12.457 1.00 0.00 O ATOM 0 H GLU A 17 10.431 -14.926 -9.033 1.00 0.00 H new ATOM 0 HA GLU A 17 8.346 -16.262 -10.447 1.00 0.00 H new ATOM 0 HB2 GLU A 17 10.206 -17.410 -8.340 1.00 0.00 H new ATOM 0 HB3 GLU A 17 9.422 -18.266 -9.652 1.00 0.00 H new ATOM 0 HG2 GLU A 17 11.589 -16.158 -9.949 1.00 0.00 H new ATOM 0 HG3 GLU A 17 11.813 -17.889 -10.105 1.00 0.00 H new ATOM 251 N CYS A 18 8.119 -16.050 -7.159 1.00 0.00 N ATOM 252 CA CYS A 18 7.199 -16.187 -6.036 1.00 0.00 C ATOM 253 C CYS A 18 6.100 -15.131 -6.101 1.00 0.00 C ATOM 254 O CYS A 18 4.997 -15.334 -5.592 1.00 0.00 O ATOM 255 CB CYS A 18 7.956 -16.071 -4.712 1.00 0.00 C ATOM 256 SG CYS A 18 9.453 -17.081 -4.628 1.00 0.00 S ATOM 0 H CYS A 18 9.032 -15.667 -6.912 1.00 0.00 H new ATOM 0 HA CYS A 18 6.736 -17.172 -6.096 1.00 0.00 H new ATOM 0 HB2 CYS A 18 8.225 -15.027 -4.550 1.00 0.00 H new ATOM 0 HB3 CYS A 18 7.290 -16.359 -3.898 1.00 0.00 H new ATOM 0 HG CYS A 18 9.138 -18.336 -4.756 1.00 0.00 H new ATOM 262 N LEU A 19 6.409 -14.002 -6.729 1.00 0.00 N ATOM 263 CA LEU A 19 5.449 -12.911 -6.860 1.00 0.00 C ATOM 264 C LEU A 19 4.373 -13.254 -7.885 1.00 0.00 C ATOM 265 O LEU A 19 3.214 -12.866 -7.737 1.00 0.00 O ATOM 266 CB LEU A 19 6.164 -11.621 -7.266 1.00 0.00 C ATOM 267 CG LEU A 19 7.022 -10.961 -6.186 1.00 0.00 C ATOM 268 CD1 LEU A 19 7.513 -9.599 -6.653 1.00 0.00 C ATOM 269 CD2 LEU A 19 6.238 -10.831 -4.888 1.00 0.00 C ATOM 0 H LEU A 19 7.317 -13.818 -7.156 1.00 0.00 H new ATOM 0 HA LEU A 19 4.970 -12.763 -5.892 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.799 -11.836 -8.125 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.414 -10.902 -7.596 1.00 0.00 H new ATOM 0 HG LEU A 19 7.890 -11.594 -6.001 1.00 0.00 H new ATOM 0 HD11 LEU A 19 8.122 -9.144 -5.872 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.111 -9.718 -7.556 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.658 -8.957 -6.866 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.864 -10.359 -4.131 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.351 -10.220 -5.058 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.936 -11.820 -4.545 1.00 0.00 H new ATOM 281 N ALA A 20 4.764 -13.984 -8.924 1.00 0.00 N ATOM 282 CA ALA A 20 3.831 -14.383 -9.972 1.00 0.00 C ATOM 283 C ALA A 20 2.798 -15.371 -9.440 1.00 0.00 C ATOM 284 O ALA A 20 1.628 -15.324 -9.818 1.00 0.00 O ATOM 285 CB ALA A 20 4.586 -14.987 -11.147 1.00 0.00 C ATOM 0 H ALA A 20 5.720 -14.311 -9.063 1.00 0.00 H new ATOM 0 HA ALA A 20 3.302 -13.493 -10.313 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.878 -15.281 -11.922 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.281 -14.250 -11.550 1.00 0.00 H new ATOM 0 HB3 ALA A 20 5.141 -15.863 -10.811 1.00 0.00 H new ATOM 291 N VAL A 21 3.239 -16.266 -8.562 1.00 0.00 N ATOM 292 CA VAL A 21 2.352 -17.265 -7.978 1.00 0.00 C ATOM 293 C VAL A 21 1.390 -16.630 -6.980 1.00 0.00 C ATOM 294 O VAL A 21 0.203 -16.954 -6.955 1.00 0.00 O ATOM 295 CB VAL A 21 3.148 -18.377 -7.270 1.00 0.00 C ATOM 296 CG1 VAL A 21 2.206 -19.403 -6.659 1.00 0.00 C ATOM 297 CG2 VAL A 21 4.115 -19.040 -8.240 1.00 0.00 C ATOM 0 H VAL A 21 4.205 -16.320 -8.239 1.00 0.00 H new ATOM 0 HA VAL A 21 1.783 -17.702 -8.799 1.00 0.00 H new ATOM 0 HB VAL A 21 3.728 -17.927 -6.464 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.787 -20.181 -6.163 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.558 -18.914 -5.931 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.597 -19.850 -7.444 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.669 -19.823 -7.723 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.557 -19.477 -9.068 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.812 -18.296 -8.624 1.00 0.00 H new ATOM 307 N MET A 22 1.911 -15.724 -6.159 1.00 0.00 N ATOM 308 CA MET A 22 1.097 -15.042 -5.160 1.00 0.00 C ATOM 309 C MET A 22 -0.015 -14.234 -5.823 1.00 0.00 C ATOM 310 O MET A 22 -1.146 -14.207 -5.340 1.00 0.00 O ATOM 311 CB MET A 22 1.968 -14.122 -4.302 1.00 0.00 C ATOM 312 CG MET A 22 2.707 -14.849 -3.190 1.00 0.00 C ATOM 313 SD MET A 22 3.033 -13.792 -1.766 1.00 0.00 S ATOM 314 CE MET A 22 4.344 -12.755 -2.408 1.00 0.00 C ATOM 0 H MET A 22 2.892 -15.445 -6.166 1.00 0.00 H new ATOM 0 HA MET A 22 0.641 -15.799 -4.522 1.00 0.00 H new ATOM 0 HB2 MET A 22 2.694 -13.621 -4.942 1.00 0.00 H new ATOM 0 HB3 MET A 22 1.341 -13.346 -3.863 1.00 0.00 H new ATOM 0 HG2 MET A 22 2.120 -15.710 -2.871 1.00 0.00 H new ATOM 0 HG3 MET A 22 3.651 -15.232 -3.577 1.00 0.00 H new ATOM 0 HE1 MET A 22 4.799 -12.196 -1.590 1.00 0.00 H new ATOM 0 HE2 MET A 22 5.099 -13.378 -2.887 1.00 0.00 H new ATOM 0 HE3 MET A 22 3.932 -12.059 -3.138 1.00 0.00 H new ATOM 324 N GLU A 23 0.316 -13.579 -6.931 1.00 0.00 N ATOM 325 CA GLU A 23 -0.655 -12.770 -7.659 1.00 0.00 C ATOM 326 C GLU A 23 -1.752 -13.646 -8.258 1.00 0.00 C ATOM 327 O GLU A 23 -2.906 -13.230 -8.362 1.00 0.00 O ATOM 328 CB GLU A 23 0.038 -11.973 -8.765 1.00 0.00 C ATOM 329 CG GLU A 23 0.560 -10.622 -8.306 1.00 0.00 C ATOM 330 CD GLU A 23 1.368 -9.914 -9.376 1.00 0.00 C ATOM 331 OE1 GLU A 23 0.858 -9.769 -10.507 1.00 0.00 O ATOM 332 OE2 GLU A 23 2.511 -9.506 -9.083 1.00 0.00 O ATOM 0 H GLU A 23 1.248 -13.592 -7.344 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.112 -12.076 -6.954 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.868 -12.559 -9.158 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.663 -11.822 -9.586 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.280 -9.992 -8.014 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.179 -10.758 -7.419 1.00 0.00 H new ATOM 339 N SER A 24 -1.382 -14.861 -8.651 1.00 0.00 N ATOM 340 CA SER A 24 -2.332 -15.794 -9.245 1.00 0.00 C ATOM 341 C SER A 24 -3.405 -16.192 -8.236 1.00 0.00 C ATOM 342 O SER A 24 -4.600 -16.112 -8.520 1.00 0.00 O ATOM 343 CB SER A 24 -1.605 -17.041 -9.752 1.00 0.00 C ATOM 344 OG SER A 24 -2.478 -17.872 -10.499 1.00 0.00 O ATOM 0 H SER A 24 -0.432 -15.222 -8.569 1.00 0.00 H new ATOM 0 HA SER A 24 -2.815 -15.297 -10.086 1.00 0.00 H new ATOM 0 HB2 SER A 24 -0.759 -16.746 -10.373 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.201 -17.599 -8.907 1.00 0.00 H new ATOM 0 HG SER A 24 -1.989 -18.661 -10.813 1.00 0.00 H new ATOM 350 N TYR A 25 -2.969 -16.622 -7.057 1.00 0.00 N ATOM 351 CA TYR A 25 -3.891 -17.035 -6.005 1.00 0.00 C ATOM 352 C TYR A 25 -4.753 -15.864 -5.545 1.00 0.00 C ATOM 353 O TYR A 25 -5.929 -16.032 -5.223 1.00 0.00 O ATOM 354 CB TYR A 25 -3.117 -17.612 -4.818 1.00 0.00 C ATOM 355 CG TYR A 25 -2.696 -19.051 -5.011 1.00 0.00 C ATOM 356 CD1 TYR A 25 -1.777 -19.400 -5.994 1.00 0.00 C ATOM 357 CD2 TYR A 25 -3.216 -20.061 -4.212 1.00 0.00 C ATOM 358 CE1 TYR A 25 -1.390 -20.714 -6.174 1.00 0.00 C ATOM 359 CE2 TYR A 25 -2.834 -21.377 -4.385 1.00 0.00 C ATOM 360 CZ TYR A 25 -1.920 -21.698 -5.367 1.00 0.00 C ATOM 361 OH TYR A 25 -1.537 -23.008 -5.543 1.00 0.00 O ATOM 0 H TYR A 25 -1.983 -16.694 -6.806 1.00 0.00 H new ATOM 0 HA TYR A 25 -4.546 -17.805 -6.412 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -2.230 -17.003 -4.643 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -3.735 -17.540 -3.923 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -1.359 -18.632 -6.627 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -3.932 -19.813 -3.442 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -0.676 -20.969 -6.943 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -3.248 -22.150 -3.755 1.00 0.00 H new ATOM 0 HH TYR A 25 -2.002 -23.575 -4.893 1.00 0.00 H new ATOM 371 N PHE A 26 -4.158 -14.676 -5.516 1.00 0.00 N ATOM 372 CA PHE A 26 -4.870 -13.474 -5.095 1.00 0.00 C ATOM 373 C PHE A 26 -5.995 -13.139 -6.069 1.00 0.00 C ATOM 374 O PHE A 26 -7.023 -12.587 -5.680 1.00 0.00 O ATOM 375 CB PHE A 26 -3.902 -12.294 -4.989 1.00 0.00 C ATOM 376 CG PHE A 26 -4.485 -11.103 -4.283 1.00 0.00 C ATOM 377 CD1 PHE A 26 -5.498 -10.361 -4.868 1.00 0.00 C ATOM 378 CD2 PHE A 26 -4.020 -10.726 -3.033 1.00 0.00 C ATOM 379 CE1 PHE A 26 -6.037 -9.265 -4.220 1.00 0.00 C ATOM 380 CE2 PHE A 26 -4.554 -9.631 -2.381 1.00 0.00 C ATOM 381 CZ PHE A 26 -5.563 -8.899 -2.976 1.00 0.00 C ATOM 0 H PHE A 26 -3.185 -14.519 -5.779 1.00 0.00 H new ATOM 0 HA PHE A 26 -5.308 -13.665 -4.115 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -3.005 -12.616 -4.461 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -3.592 -11.997 -5.991 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -5.871 -10.642 -5.842 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.231 -11.295 -2.563 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -6.828 -8.696 -4.686 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.183 -9.348 -1.407 1.00 0.00 H new ATOM 0 HZ PHE A 26 -5.980 -8.042 -2.469 1.00 0.00 H new ATOM 391 N ASN A 27 -5.790 -13.477 -7.339 1.00 0.00 N ATOM 392 CA ASN A 27 -6.786 -13.211 -8.370 1.00 0.00 C ATOM 393 C ASN A 27 -8.014 -14.097 -8.183 1.00 0.00 C ATOM 394 O ASN A 27 -9.140 -13.676 -8.443 1.00 0.00 O ATOM 395 CB ASN A 27 -6.186 -13.438 -9.759 1.00 0.00 C ATOM 396 CG ASN A 27 -5.527 -12.191 -10.315 1.00 0.00 C ATOM 397 OD1 ASN A 27 -5.838 -11.752 -11.422 1.00 0.00 O ATOM 398 ND2 ASN A 27 -4.609 -11.614 -9.547 1.00 0.00 N ATOM 0 H ASN A 27 -4.944 -13.935 -7.678 1.00 0.00 H new ATOM 0 HA ASN A 27 -7.095 -12.170 -8.281 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -5.451 -14.242 -9.707 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -6.970 -13.766 -10.441 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -4.131 -10.772 -9.869 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -4.383 -12.013 -8.636 1.00 0.00 H new ATOM 405 N GLU A 28 -7.786 -15.326 -7.729 1.00 0.00 N ATOM 406 CA GLU A 28 -8.873 -16.272 -7.508 1.00 0.00 C ATOM 407 C GLU A 28 -9.491 -16.076 -6.126 1.00 0.00 C ATOM 408 O GLU A 28 -10.692 -16.267 -5.939 1.00 0.00 O ATOM 409 CB GLU A 28 -8.368 -17.708 -7.654 1.00 0.00 C ATOM 410 CG GLU A 28 -7.525 -18.179 -6.480 1.00 0.00 C ATOM 411 CD GLU A 28 -7.455 -19.691 -6.382 1.00 0.00 C ATOM 412 OE1 GLU A 28 -8.496 -20.347 -6.596 1.00 0.00 O ATOM 413 OE2 GLU A 28 -6.361 -20.217 -6.091 1.00 0.00 O ATOM 0 H GLU A 28 -6.859 -15.689 -7.507 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.640 -16.087 -8.260 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -9.223 -18.375 -7.768 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.779 -17.786 -8.568 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -6.516 -17.778 -6.578 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.940 -17.777 -5.555 1.00 0.00 H new ATOM 420 N ASN A 29 -8.659 -15.696 -5.161 1.00 0.00 N ATOM 421 CA ASN A 29 -9.123 -15.476 -3.796 1.00 0.00 C ATOM 422 C ASN A 29 -8.236 -14.463 -3.077 1.00 0.00 C ATOM 423 O ASN A 29 -7.019 -14.632 -3.004 1.00 0.00 O ATOM 424 CB ASN A 29 -9.140 -16.795 -3.022 1.00 0.00 C ATOM 425 CG ASN A 29 -10.148 -16.788 -1.889 1.00 0.00 C ATOM 426 OD1 ASN A 29 -11.070 -15.973 -1.869 1.00 0.00 O ATOM 427 ND2 ASN A 29 -9.975 -17.699 -0.938 1.00 0.00 N ATOM 0 H ASN A 29 -7.661 -15.534 -5.299 1.00 0.00 H new ATOM 0 HA ASN A 29 -10.136 -15.077 -3.843 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -9.372 -17.611 -3.706 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -8.146 -16.989 -2.619 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -10.621 -17.743 -0.150 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -9.196 -18.355 -0.996 1.00 0.00 H new ATOM 434 N GLN A 30 -8.855 -13.413 -2.548 1.00 0.00 N ATOM 435 CA GLN A 30 -8.121 -12.374 -1.836 1.00 0.00 C ATOM 436 C GLN A 30 -7.548 -12.911 -0.528 1.00 0.00 C ATOM 437 O GLN A 30 -6.432 -12.566 -0.140 1.00 0.00 O ATOM 438 CB GLN A 30 -9.033 -11.178 -1.553 1.00 0.00 C ATOM 439 CG GLN A 30 -9.718 -10.629 -2.795 1.00 0.00 C ATOM 440 CD GLN A 30 -10.079 -9.163 -2.661 1.00 0.00 C ATOM 441 OE1 GLN A 30 -11.171 -8.820 -2.208 1.00 0.00 O ATOM 442 NE2 GLN A 30 -9.161 -8.288 -3.056 1.00 0.00 N ATOM 0 H GLN A 30 -9.862 -13.259 -2.599 1.00 0.00 H new ATOM 0 HA GLN A 30 -7.294 -12.051 -2.469 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -9.793 -11.474 -0.830 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -8.445 -10.385 -1.091 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -9.062 -10.761 -3.656 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -10.622 -11.206 -2.992 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -8.269 -8.617 -3.425 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -9.348 -7.288 -2.990 1.00 0.00 H new ATOM 451 N TYR A 31 -8.319 -13.757 0.146 1.00 0.00 N ATOM 452 CA TYR A 31 -7.890 -14.340 1.412 1.00 0.00 C ATOM 453 C TYR A 31 -7.821 -15.861 1.315 1.00 0.00 C ATOM 454 O TYR A 31 -8.804 -16.568 1.539 1.00 0.00 O ATOM 455 CB TYR A 31 -8.844 -13.931 2.535 1.00 0.00 C ATOM 456 CG TYR A 31 -9.295 -12.491 2.453 1.00 0.00 C ATOM 457 CD1 TYR A 31 -10.132 -12.062 1.430 1.00 0.00 C ATOM 458 CD2 TYR A 31 -8.886 -11.559 3.398 1.00 0.00 C ATOM 459 CE1 TYR A 31 -10.546 -10.746 1.350 1.00 0.00 C ATOM 460 CE2 TYR A 31 -9.296 -10.241 3.327 1.00 0.00 C ATOM 461 CZ TYR A 31 -10.126 -9.840 2.301 1.00 0.00 C ATOM 462 OH TYR A 31 -10.537 -8.529 2.226 1.00 0.00 O ATOM 0 H TYR A 31 -9.244 -14.054 -0.163 1.00 0.00 H new ATOM 0 HA TYR A 31 -6.892 -13.963 1.638 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -9.720 -14.579 2.510 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -8.354 -14.095 3.494 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -10.465 -12.769 0.685 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -8.236 -11.870 4.203 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -11.195 -10.429 0.547 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -8.968 -9.529 4.070 1.00 0.00 H new ATOM 0 HH TYR A 31 -10.153 -8.023 2.972 1.00 0.00 H new ATOM 472 N PRO A 32 -6.631 -16.378 0.974 1.00 0.00 N ATOM 473 CA PRO A 32 -6.403 -17.820 0.841 1.00 0.00 C ATOM 474 C PRO A 32 -6.441 -18.539 2.186 1.00 0.00 C ATOM 475 O PRO A 32 -5.654 -18.238 3.084 1.00 0.00 O ATOM 476 CB PRO A 32 -5.003 -17.903 0.229 1.00 0.00 C ATOM 477 CG PRO A 32 -4.334 -16.637 0.641 1.00 0.00 C ATOM 478 CD PRO A 32 -5.416 -15.595 0.693 1.00 0.00 C ATOM 0 HA PRO A 32 -7.174 -18.301 0.240 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -4.461 -18.775 0.596 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -5.050 -17.991 -0.856 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.852 -16.748 1.613 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -3.557 -16.357 -0.070 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.225 -14.856 1.471 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -5.497 -15.052 -0.249 1.00 0.00 H new ATOM 486 N ASP A 33 -7.358 -19.491 2.317 1.00 0.00 N ATOM 487 CA ASP A 33 -7.497 -20.254 3.551 1.00 0.00 C ATOM 488 C ASP A 33 -6.139 -20.750 4.039 1.00 0.00 C ATOM 489 O ASP A 33 -5.124 -20.567 3.368 1.00 0.00 O ATOM 490 CB ASP A 33 -8.441 -21.439 3.340 1.00 0.00 C ATOM 491 CG ASP A 33 -8.326 -22.029 1.948 1.00 0.00 C ATOM 492 OD1 ASP A 33 -8.627 -21.310 0.972 1.00 0.00 O ATOM 493 OD2 ASP A 33 -7.936 -23.210 1.835 1.00 0.00 O ATOM 0 H ASP A 33 -8.016 -19.753 1.583 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.918 -19.595 4.311 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.222 -22.211 4.078 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -9.468 -21.117 3.511 1.00 0.00 H new ATOM 498 N GLU A 34 -6.130 -21.377 5.211 1.00 0.00 N ATOM 499 CA GLU A 34 -4.896 -21.897 5.789 1.00 0.00 C ATOM 500 C GLU A 34 -4.209 -22.862 4.826 1.00 0.00 C ATOM 501 O GLU A 34 -3.019 -22.730 4.542 1.00 0.00 O ATOM 502 CB GLU A 34 -5.185 -22.603 7.115 1.00 0.00 C ATOM 503 CG GLU A 34 -6.379 -22.031 7.861 1.00 0.00 C ATOM 504 CD GLU A 34 -6.316 -22.295 9.353 1.00 0.00 C ATOM 505 OE1 GLU A 34 -5.921 -23.415 9.740 1.00 0.00 O ATOM 506 OE2 GLU A 34 -6.663 -21.384 10.133 1.00 0.00 O ATOM 0 H GLU A 34 -6.962 -21.537 5.778 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.228 -21.055 5.972 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.360 -23.661 6.923 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.303 -22.537 7.752 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.430 -20.956 7.688 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -7.295 -22.462 7.458 1.00 0.00 H new ATOM 513 N ALA A 35 -4.968 -23.833 4.328 1.00 0.00 N ATOM 514 CA ALA A 35 -4.434 -24.819 3.397 1.00 0.00 C ATOM 515 C ALA A 35 -4.020 -24.165 2.083 1.00 0.00 C ATOM 516 O ALA A 35 -3.013 -24.540 1.482 1.00 0.00 O ATOM 517 CB ALA A 35 -5.459 -25.915 3.144 1.00 0.00 C ATOM 0 H ALA A 35 -5.955 -23.958 4.554 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.546 -25.264 3.846 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.047 -26.645 2.447 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.703 -26.409 4.084 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.362 -25.477 2.719 1.00 0.00 H new ATOM 523 N LYS A 36 -4.803 -23.187 1.642 1.00 0.00 N ATOM 524 CA LYS A 36 -4.518 -22.480 0.399 1.00 0.00 C ATOM 525 C LYS A 36 -3.184 -21.745 0.484 1.00 0.00 C ATOM 526 O LYS A 36 -2.417 -21.718 -0.478 1.00 0.00 O ATOM 527 CB LYS A 36 -5.640 -21.488 0.084 1.00 0.00 C ATOM 528 CG LYS A 36 -5.494 -20.814 -1.269 1.00 0.00 C ATOM 529 CD LYS A 36 -5.798 -21.774 -2.407 1.00 0.00 C ATOM 530 CE LYS A 36 -7.293 -21.860 -2.678 1.00 0.00 C ATOM 531 NZ LYS A 36 -7.780 -20.698 -3.471 1.00 0.00 N ATOM 0 H LYS A 36 -5.641 -22.865 2.127 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.456 -23.216 -0.402 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.596 -22.011 0.119 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.666 -20.723 0.860 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.167 -19.958 -1.324 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.480 -20.430 -1.377 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -5.282 -21.446 -3.309 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -5.414 -22.764 -2.162 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -7.512 -22.783 -3.214 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -7.832 -21.905 -1.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.369 -21.037 -4.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.344 -20.073 -2.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -6.967 -20.171 -3.849 1.00 0.00 H new ATOM 545 N ARG A 37 -2.914 -21.151 1.642 1.00 0.00 N ATOM 546 CA ARG A 37 -1.673 -20.416 1.853 1.00 0.00 C ATOM 547 C ARG A 37 -0.464 -21.335 1.696 1.00 0.00 C ATOM 548 O ARG A 37 0.535 -20.961 1.082 1.00 0.00 O ATOM 549 CB ARG A 37 -1.663 -19.777 3.242 1.00 0.00 C ATOM 550 CG ARG A 37 -2.378 -18.436 3.301 1.00 0.00 C ATOM 551 CD ARG A 37 -1.953 -17.631 4.519 1.00 0.00 C ATOM 552 NE ARG A 37 -2.798 -17.904 5.678 1.00 0.00 N ATOM 553 CZ ARG A 37 -2.404 -17.724 6.933 1.00 0.00 C ATOM 554 NH1 ARG A 37 -1.185 -17.273 7.191 1.00 0.00 N ATOM 555 NH2 ARG A 37 -3.232 -17.996 7.935 1.00 0.00 N ATOM 0 H ARG A 37 -3.538 -21.165 2.448 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.613 -19.631 1.099 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.131 -20.460 3.950 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -0.630 -19.643 3.564 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -2.164 -17.868 2.396 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.456 -18.598 3.328 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.917 -17.863 4.763 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.994 -16.568 4.283 1.00 0.00 H new ATOM 0 HE ARG A 37 -3.743 -18.252 5.515 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -0.546 -17.063 6.424 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -0.886 -17.136 8.156 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -4.171 -18.343 7.741 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -2.929 -17.858 8.899 1.00 0.00 H new ATOM 569 N GLU A 38 -0.564 -22.537 2.255 1.00 0.00 N ATOM 570 CA GLU A 38 0.522 -23.507 2.177 1.00 0.00 C ATOM 571 C GLU A 38 0.704 -24.006 0.747 1.00 0.00 C ATOM 572 O GLU A 38 1.827 -24.223 0.293 1.00 0.00 O ATOM 573 CB GLU A 38 0.248 -24.688 3.111 1.00 0.00 C ATOM 574 CG GLU A 38 0.476 -24.369 4.579 1.00 0.00 C ATOM 575 CD GLU A 38 -0.318 -25.272 5.502 1.00 0.00 C ATOM 576 OE1 GLU A 38 -1.540 -25.415 5.287 1.00 0.00 O ATOM 577 OE2 GLU A 38 0.283 -25.837 6.440 1.00 0.00 O ATOM 0 H GLU A 38 -1.385 -22.862 2.766 1.00 0.00 H new ATOM 0 HA GLU A 38 1.441 -23.012 2.490 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.782 -25.016 2.975 1.00 0.00 H new ATOM 0 HB3 GLU A 38 0.889 -25.522 2.825 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.537 -24.465 4.807 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.202 -23.331 4.768 1.00 0.00 H new ATOM 584 N GLU A 39 -0.409 -24.187 0.043 1.00 0.00 N ATOM 585 CA GLU A 39 -0.372 -24.663 -1.335 1.00 0.00 C ATOM 586 C GLU A 39 0.345 -23.662 -2.236 1.00 0.00 C ATOM 587 O GLU A 39 1.199 -24.037 -3.041 1.00 0.00 O ATOM 588 CB GLU A 39 -1.792 -24.906 -1.852 1.00 0.00 C ATOM 589 CG GLU A 39 -1.853 -25.852 -3.039 1.00 0.00 C ATOM 590 CD GLU A 39 -1.827 -27.310 -2.625 1.00 0.00 C ATOM 591 OE1 GLU A 39 -0.753 -27.787 -2.201 1.00 0.00 O ATOM 592 OE2 GLU A 39 -2.879 -27.975 -2.726 1.00 0.00 O ATOM 0 H GLU A 39 -1.347 -24.011 0.404 1.00 0.00 H new ATOM 0 HA GLU A 39 0.179 -25.603 -1.354 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.400 -25.312 -1.043 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.235 -23.951 -2.136 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.761 -25.656 -3.609 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.012 -25.651 -3.702 1.00 0.00 H new ATOM 599 N ILE A 40 -0.008 -22.389 -2.096 1.00 0.00 N ATOM 600 CA ILE A 40 0.601 -21.335 -2.897 1.00 0.00 C ATOM 601 C ILE A 40 2.041 -21.079 -2.465 1.00 0.00 C ATOM 602 O ILE A 40 2.922 -20.865 -3.297 1.00 0.00 O ATOM 603 CB ILE A 40 -0.194 -20.020 -2.796 1.00 0.00 C ATOM 604 CG1 ILE A 40 0.266 -19.037 -3.874 1.00 0.00 C ATOM 605 CG2 ILE A 40 -0.035 -19.409 -1.412 1.00 0.00 C ATOM 606 CD1 ILE A 40 1.424 -18.165 -3.443 1.00 0.00 C ATOM 0 H ILE A 40 -0.713 -22.062 -1.435 1.00 0.00 H new ATOM 0 HA ILE A 40 0.589 -21.679 -3.931 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.250 -20.238 -2.956 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.554 -19.596 -4.764 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.573 -18.400 -4.155 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.603 -18.480 -1.357 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.407 -20.107 -0.661 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.019 -19.202 -1.225 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.696 -17.493 -4.257 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.133 -17.579 -2.571 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.278 -18.793 -3.190 1.00 0.00 H new ATOM 618 N ALA A 41 2.274 -21.104 -1.156 1.00 0.00 N ATOM 619 CA ALA A 41 3.608 -20.879 -0.613 1.00 0.00 C ATOM 620 C ALA A 41 4.584 -21.947 -1.096 1.00 0.00 C ATOM 621 O ALA A 41 5.711 -21.640 -1.483 1.00 0.00 O ATOM 622 CB ALA A 41 3.561 -20.853 0.908 1.00 0.00 C ATOM 0 H ALA A 41 1.556 -21.278 -0.453 1.00 0.00 H new ATOM 0 HA ALA A 41 3.961 -19.912 -0.971 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.564 -20.684 1.300 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.902 -20.050 1.238 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.183 -21.807 1.277 1.00 0.00 H new ATOM 628 N ASN A 42 4.144 -23.200 -1.068 1.00 0.00 N ATOM 629 CA ASN A 42 4.981 -24.313 -1.502 1.00 0.00 C ATOM 630 C ASN A 42 5.421 -24.131 -2.952 1.00 0.00 C ATOM 631 O ASN A 42 6.576 -24.378 -3.296 1.00 0.00 O ATOM 632 CB ASN A 42 4.226 -25.636 -1.350 1.00 0.00 C ATOM 633 CG ASN A 42 4.314 -26.193 0.058 1.00 0.00 C ATOM 634 OD1 ASN A 42 4.767 -27.318 0.265 1.00 0.00 O ATOM 635 ND2 ASN A 42 3.881 -25.404 1.035 1.00 0.00 N ATOM 0 H ASN A 42 3.213 -23.471 -0.750 1.00 0.00 H new ATOM 0 HA ASN A 42 5.869 -24.334 -0.871 1.00 0.00 H new ATOM 0 HB2 ASN A 42 3.179 -25.486 -1.614 1.00 0.00 H new ATOM 0 HB3 ASN A 42 4.631 -26.365 -2.052 1.00 0.00 H new ATOM 0 HD21 ASN A 42 3.917 -25.724 2.003 1.00 0.00 H new ATOM 0 HD22 ASN A 42 3.513 -24.478 0.817 1.00 0.00 H new ATOM 642 N ALA A 43 4.492 -23.695 -3.796 1.00 0.00 N ATOM 643 CA ALA A 43 4.784 -23.476 -5.207 1.00 0.00 C ATOM 644 C ALA A 43 5.874 -22.425 -5.385 1.00 0.00 C ATOM 645 O ALA A 43 6.746 -22.561 -6.244 1.00 0.00 O ATOM 646 CB ALA A 43 3.522 -23.062 -5.949 1.00 0.00 C ATOM 0 H ALA A 43 3.530 -23.486 -3.527 1.00 0.00 H new ATOM 0 HA ALA A 43 5.148 -24.414 -5.627 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.755 -22.902 -7.002 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.772 -23.848 -5.859 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.133 -22.139 -5.519 1.00 0.00 H new ATOM 652 N CYS A 44 5.818 -21.377 -4.570 1.00 0.00 N ATOM 653 CA CYS A 44 6.800 -20.301 -4.639 1.00 0.00 C ATOM 654 C CYS A 44 8.200 -20.823 -4.332 1.00 0.00 C ATOM 655 O CYS A 44 9.176 -20.420 -4.965 1.00 0.00 O ATOM 656 CB CYS A 44 6.433 -19.184 -3.662 1.00 0.00 C ATOM 657 SG CYS A 44 5.117 -18.092 -4.249 1.00 0.00 S ATOM 0 H CYS A 44 5.103 -21.250 -3.854 1.00 0.00 H new ATOM 0 HA CYS A 44 6.795 -19.902 -5.653 1.00 0.00 H new ATOM 0 HB2 CYS A 44 6.125 -19.630 -2.716 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.322 -18.587 -3.459 1.00 0.00 H new ATOM 0 HG CYS A 44 4.877 -17.181 -3.353 1.00 0.00 H new ATOM 663 N ASN A 45 8.291 -21.720 -3.356 1.00 0.00 N ATOM 664 CA ASN A 45 9.572 -22.295 -2.963 1.00 0.00 C ATOM 665 C ASN A 45 10.129 -23.189 -4.067 1.00 0.00 C ATOM 666 O ASN A 45 11.340 -23.256 -4.274 1.00 0.00 O ATOM 667 CB ASN A 45 9.420 -23.097 -1.669 1.00 0.00 C ATOM 668 CG ASN A 45 9.473 -22.219 -0.434 1.00 0.00 C ATOM 669 OD1 ASN A 45 10.403 -21.432 -0.259 1.00 0.00 O ATOM 670 ND2 ASN A 45 8.472 -22.350 0.429 1.00 0.00 N ATOM 0 H ASN A 45 7.493 -22.065 -2.823 1.00 0.00 H new ATOM 0 HA ASN A 45 10.272 -21.477 -2.795 1.00 0.00 H new ATOM 0 HB2 ASN A 45 8.473 -23.636 -1.688 1.00 0.00 H new ATOM 0 HB3 ASN A 45 10.211 -23.845 -1.614 1.00 0.00 H new ATOM 0 HD21 ASN A 45 8.453 -21.785 1.278 1.00 0.00 H new ATOM 0 HD22 ASN A 45 7.722 -23.016 0.243 1.00 0.00 H new ATOM 677 N ALA A 46 9.235 -23.875 -4.772 1.00 0.00 N ATOM 678 CA ALA A 46 9.636 -24.763 -5.856 1.00 0.00 C ATOM 679 C ALA A 46 10.172 -23.971 -7.044 1.00 0.00 C ATOM 680 O ALA A 46 11.228 -24.292 -7.591 1.00 0.00 O ATOM 681 CB ALA A 46 8.464 -25.633 -6.286 1.00 0.00 C ATOM 0 H ALA A 46 8.229 -23.833 -4.612 1.00 0.00 H new ATOM 0 HA ALA A 46 10.437 -25.405 -5.489 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.778 -26.291 -7.096 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.127 -26.233 -5.441 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.647 -24.999 -6.630 1.00 0.00 H new ATOM 687 N VAL A 47 9.438 -22.936 -7.440 1.00 0.00 N ATOM 688 CA VAL A 47 9.841 -22.099 -8.564 1.00 0.00 C ATOM 689 C VAL A 47 11.217 -21.487 -8.327 1.00 0.00 C ATOM 690 O VAL A 47 11.916 -21.121 -9.273 1.00 0.00 O ATOM 691 CB VAL A 47 8.825 -20.969 -8.814 1.00 0.00 C ATOM 692 CG1 VAL A 47 7.546 -21.525 -9.421 1.00 0.00 C ATOM 693 CG2 VAL A 47 8.531 -20.222 -7.521 1.00 0.00 C ATOM 0 H VAL A 47 8.561 -22.657 -6.999 1.00 0.00 H new ATOM 0 HA VAL A 47 9.880 -22.744 -9.442 1.00 0.00 H new ATOM 0 HB VAL A 47 9.258 -20.264 -9.524 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.840 -20.712 -9.590 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.775 -22.011 -10.370 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.105 -22.252 -8.738 1.00 0.00 H new ATOM 0 HG21 VAL A 47 7.811 -19.427 -7.716 1.00 0.00 H new ATOM 0 HG22 VAL A 47 8.118 -20.914 -6.787 1.00 0.00 H new ATOM 0 HG23 VAL A 47 9.453 -19.790 -7.133 1.00 0.00 H new ATOM 703 N ILE A 48 11.601 -21.380 -7.060 1.00 0.00 N ATOM 704 CA ILE A 48 12.895 -20.814 -6.699 1.00 0.00 C ATOM 705 C ILE A 48 13.911 -21.911 -6.399 1.00 0.00 C ATOM 706 O ILE A 48 15.110 -21.735 -6.611 1.00 0.00 O ATOM 707 CB ILE A 48 12.783 -19.885 -5.476 1.00 0.00 C ATOM 708 CG1 ILE A 48 12.259 -20.661 -4.266 1.00 0.00 C ATOM 709 CG2 ILE A 48 11.874 -18.705 -5.789 1.00 0.00 C ATOM 710 CD1 ILE A 48 12.263 -19.858 -2.984 1.00 0.00 C ATOM 0 H ILE A 48 11.035 -21.678 -6.266 1.00 0.00 H new ATOM 0 HA ILE A 48 13.234 -20.232 -7.556 1.00 0.00 H new ATOM 0 HB ILE A 48 13.775 -19.501 -5.237 1.00 0.00 H new ATOM 0 HG12 ILE A 48 11.242 -20.996 -4.472 1.00 0.00 H new ATOM 0 HG13 ILE A 48 12.867 -21.555 -4.127 1.00 0.00 H new ATOM 0 HG21 ILE A 48 11.805 -18.057 -4.915 1.00 0.00 H new ATOM 0 HG22 ILE A 48 12.285 -18.141 -6.627 1.00 0.00 H new ATOM 0 HG23 ILE A 48 10.881 -19.070 -6.050 1.00 0.00 H new ATOM 0 HD11 ILE A 48 11.879 -20.472 -2.169 1.00 0.00 H new ATOM 0 HD12 ILE A 48 13.281 -19.545 -2.754 1.00 0.00 H new ATOM 0 HD13 ILE A 48 11.632 -18.978 -3.104 1.00 0.00 H new ATOM 722 N GLN A 49 13.421 -23.044 -5.906 1.00 0.00 N ATOM 723 CA GLN A 49 14.286 -24.171 -5.577 1.00 0.00 C ATOM 724 C GLN A 49 15.053 -24.645 -6.807 1.00 0.00 C ATOM 725 O GLN A 49 14.457 -25.036 -7.811 1.00 0.00 O ATOM 726 CB GLN A 49 13.462 -25.323 -5.000 1.00 0.00 C ATOM 727 CG GLN A 49 14.304 -26.396 -4.329 1.00 0.00 C ATOM 728 CD GLN A 49 15.653 -26.581 -4.994 1.00 0.00 C ATOM 729 OE1 GLN A 49 15.741 -27.066 -6.122 1.00 0.00 O ATOM 730 NE2 GLN A 49 16.715 -26.194 -4.297 1.00 0.00 N ATOM 0 H GLN A 49 12.430 -23.206 -5.726 1.00 0.00 H new ATOM 0 HA GLN A 49 15.005 -23.838 -4.828 1.00 0.00 H new ATOM 0 HB2 GLN A 49 12.752 -24.924 -4.276 1.00 0.00 H new ATOM 0 HB3 GLN A 49 12.879 -25.778 -5.800 1.00 0.00 H new ATOM 0 HG2 GLN A 49 14.453 -26.133 -3.282 1.00 0.00 H new ATOM 0 HG3 GLN A 49 13.762 -27.341 -4.347 1.00 0.00 H new ATOM 0 HE21 GLN A 49 16.596 -25.797 -3.365 1.00 0.00 H new ATOM 0 HE22 GLN A 49 17.649 -26.294 -4.694 1.00 0.00 H new ATOM 739 N LYS A 50 16.379 -24.608 -6.723 1.00 0.00 N ATOM 740 CA LYS A 50 17.228 -25.034 -7.828 1.00 0.00 C ATOM 741 C LYS A 50 17.880 -26.380 -7.526 1.00 0.00 C ATOM 742 O LYS A 50 18.120 -26.735 -6.371 1.00 0.00 O ATOM 743 CB LYS A 50 18.306 -23.984 -8.105 1.00 0.00 C ATOM 744 CG LYS A 50 17.749 -22.600 -8.387 1.00 0.00 C ATOM 745 CD LYS A 50 18.827 -21.533 -8.288 1.00 0.00 C ATOM 746 CE LYS A 50 18.416 -20.257 -9.005 1.00 0.00 C ATOM 747 NZ LYS A 50 19.272 -19.102 -8.617 1.00 0.00 N ATOM 0 H LYS A 50 16.889 -24.287 -5.900 1.00 0.00 H new ATOM 0 HA LYS A 50 16.601 -25.144 -8.713 1.00 0.00 H new ATOM 0 HB2 LYS A 50 18.976 -23.929 -7.247 1.00 0.00 H new ATOM 0 HB3 LYS A 50 18.905 -24.306 -8.957 1.00 0.00 H new ATOM 0 HG2 LYS A 50 17.307 -22.581 -9.383 1.00 0.00 H new ATOM 0 HG3 LYS A 50 16.950 -22.378 -7.680 1.00 0.00 H new ATOM 0 HD2 LYS A 50 19.028 -21.314 -7.239 1.00 0.00 H new ATOM 0 HD3 LYS A 50 19.755 -21.911 -8.718 1.00 0.00 H new ATOM 0 HE2 LYS A 50 18.479 -20.410 -10.082 1.00 0.00 H new ATOM 0 HE3 LYS A 50 17.375 -20.031 -8.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 18.960 -18.251 -9.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 19.193 -18.940 -7.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 20.262 -19.307 -8.859 1.00 0.00 H new ATOM 761 N PRO A 51 18.175 -27.147 -8.585 1.00 0.00 N ATOM 762 CA PRO A 51 18.805 -28.465 -8.458 1.00 0.00 C ATOM 763 C PRO A 51 20.256 -28.371 -7.998 1.00 0.00 C ATOM 764 O PRO A 51 21.053 -27.630 -8.571 1.00 0.00 O ATOM 765 CB PRO A 51 18.730 -29.033 -9.877 1.00 0.00 C ATOM 766 CG PRO A 51 18.670 -27.835 -10.762 1.00 0.00 C ATOM 767 CD PRO A 51 17.917 -26.787 -9.990 1.00 0.00 C ATOM 0 HA PRO A 51 18.309 -29.084 -7.710 1.00 0.00 H new ATOM 0 HB2 PRO A 51 19.600 -29.649 -10.103 1.00 0.00 H new ATOM 0 HB3 PRO A 51 17.851 -29.664 -10.005 1.00 0.00 H new ATOM 0 HG2 PRO A 51 19.671 -27.488 -11.017 1.00 0.00 H new ATOM 0 HG3 PRO A 51 18.165 -28.067 -11.700 1.00 0.00 H new ATOM 0 HD2 PRO A 51 18.275 -25.784 -10.220 1.00 0.00 H new ATOM 0 HD3 PRO A 51 16.852 -26.806 -10.221 1.00 0.00 H new ATOM 775 N GLY A 52 20.593 -29.129 -6.959 1.00 0.00 N ATOM 776 CA GLY A 52 21.948 -29.117 -6.440 1.00 0.00 C ATOM 777 C GLY A 52 22.212 -27.929 -5.536 1.00 0.00 C ATOM 778 O GLY A 52 23.339 -27.720 -5.086 1.00 0.00 O ATOM 0 H GLY A 52 19.952 -29.751 -6.467 1.00 0.00 H new ATOM 0 HA2 GLY A 52 22.130 -30.038 -5.887 1.00 0.00 H new ATOM 0 HA3 GLY A 52 22.652 -29.100 -7.272 1.00 0.00 H new ATOM 782 N LYS A 53 21.172 -27.147 -5.271 1.00 0.00 N ATOM 783 CA LYS A 53 21.295 -25.972 -4.416 1.00 0.00 C ATOM 784 C LYS A 53 20.411 -26.104 -3.180 1.00 0.00 C ATOM 785 O LYS A 53 19.461 -26.887 -3.164 1.00 0.00 O ATOM 786 CB LYS A 53 20.920 -24.708 -5.193 1.00 0.00 C ATOM 787 CG LYS A 53 21.419 -23.427 -4.548 1.00 0.00 C ATOM 788 CD LYS A 53 21.489 -22.288 -5.552 1.00 0.00 C ATOM 789 CE LYS A 53 21.622 -20.941 -4.858 1.00 0.00 C ATOM 790 NZ LYS A 53 20.305 -20.427 -4.389 1.00 0.00 N ATOM 0 H LYS A 53 20.233 -27.306 -5.636 1.00 0.00 H new ATOM 0 HA LYS A 53 22.333 -25.896 -4.092 1.00 0.00 H new ATOM 0 HB2 LYS A 53 21.325 -24.778 -6.202 1.00 0.00 H new ATOM 0 HB3 LYS A 53 19.835 -24.658 -5.288 1.00 0.00 H new ATOM 0 HG2 LYS A 53 20.757 -23.150 -3.727 1.00 0.00 H new ATOM 0 HG3 LYS A 53 22.406 -23.596 -4.118 1.00 0.00 H new ATOM 0 HD2 LYS A 53 22.338 -22.441 -6.218 1.00 0.00 H new ATOM 0 HD3 LYS A 53 20.592 -22.292 -6.172 1.00 0.00 H new ATOM 0 HE2 LYS A 53 22.299 -21.035 -4.009 1.00 0.00 H new ATOM 0 HE3 LYS A 53 22.069 -20.222 -5.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 20.438 -19.508 -3.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 19.667 -20.313 -5.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 19.889 -21.101 -3.715 1.00 0.00 H new ATOM 804 N LYS A 54 20.729 -25.332 -2.146 1.00 0.00 N ATOM 805 CA LYS A 54 19.962 -25.359 -0.906 1.00 0.00 C ATOM 806 C LYS A 54 19.203 -24.052 -0.707 1.00 0.00 C ATOM 807 O LYS A 54 19.764 -22.966 -0.862 1.00 0.00 O ATOM 808 CB LYS A 54 20.889 -25.610 0.286 1.00 0.00 C ATOM 809 CG LYS A 54 21.468 -27.014 0.322 1.00 0.00 C ATOM 810 CD LYS A 54 22.664 -27.148 -0.606 1.00 0.00 C ATOM 811 CE LYS A 54 23.105 -28.597 -0.740 1.00 0.00 C ATOM 812 NZ LYS A 54 23.943 -28.812 -1.952 1.00 0.00 N ATOM 0 H LYS A 54 21.513 -24.680 -2.142 1.00 0.00 H new ATOM 0 HA LYS A 54 19.239 -26.172 -0.973 1.00 0.00 H new ATOM 0 HB2 LYS A 54 21.707 -24.890 0.258 1.00 0.00 H new ATOM 0 HB3 LYS A 54 20.337 -25.430 1.209 1.00 0.00 H new ATOM 0 HG2 LYS A 54 21.768 -27.259 1.341 1.00 0.00 H new ATOM 0 HG3 LYS A 54 20.701 -27.733 0.034 1.00 0.00 H new ATOM 0 HD2 LYS A 54 22.410 -26.752 -1.589 1.00 0.00 H new ATOM 0 HD3 LYS A 54 23.491 -26.549 -0.225 1.00 0.00 H new ATOM 0 HE2 LYS A 54 23.668 -28.889 0.147 1.00 0.00 H new ATOM 0 HE3 LYS A 54 22.227 -29.241 -0.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 24.223 -29.812 -2.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 23.398 -28.558 -2.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 24.794 -28.217 -1.896 1.00 0.00 H new ATOM 826 N LEU A 55 17.925 -24.162 -0.361 1.00 0.00 N ATOM 827 CA LEU A 55 17.088 -22.987 -0.139 1.00 0.00 C ATOM 828 C LEU A 55 17.381 -22.360 1.220 1.00 0.00 C ATOM 829 O LEU A 55 17.662 -23.061 2.192 1.00 0.00 O ATOM 830 CB LEU A 55 15.609 -23.366 -0.230 1.00 0.00 C ATOM 831 CG LEU A 55 14.999 -23.357 -1.632 1.00 0.00 C ATOM 832 CD1 LEU A 55 13.512 -23.667 -1.569 1.00 0.00 C ATOM 833 CD2 LEU A 55 15.237 -22.014 -2.309 1.00 0.00 C ATOM 0 H LEU A 55 17.445 -25.052 -0.228 1.00 0.00 H new ATOM 0 HA LEU A 55 17.318 -22.255 -0.914 1.00 0.00 H new ATOM 0 HB2 LEU A 55 15.483 -24.363 0.193 1.00 0.00 H new ATOM 0 HB3 LEU A 55 15.039 -22.680 0.397 1.00 0.00 H new ATOM 0 HG LEU A 55 15.486 -24.132 -2.224 1.00 0.00 H new ATOM 0 HD11 LEU A 55 13.095 -23.656 -2.576 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.364 -24.652 -1.126 1.00 0.00 H new ATOM 0 HD13 LEU A 55 13.009 -22.916 -0.960 1.00 0.00 H new ATOM 0 HD21 LEU A 55 14.796 -22.026 -3.306 1.00 0.00 H new ATOM 0 HD22 LEU A 55 14.777 -21.222 -1.718 1.00 0.00 H new ATOM 0 HD23 LEU A 55 16.309 -21.831 -2.388 1.00 0.00 H new ATOM 845 N SER A 56 17.312 -21.034 1.281 1.00 0.00 N ATOM 846 CA SER A 56 17.572 -20.311 2.521 1.00 0.00 C ATOM 847 C SER A 56 16.307 -19.618 3.020 1.00 0.00 C ATOM 848 O SER A 56 15.372 -19.383 2.256 1.00 0.00 O ATOM 849 CB SER A 56 18.683 -19.280 2.312 1.00 0.00 C ATOM 850 OG SER A 56 19.953 -19.831 2.612 1.00 0.00 O ATOM 0 H SER A 56 17.078 -20.438 0.487 1.00 0.00 H new ATOM 0 HA SER A 56 17.892 -21.032 3.273 1.00 0.00 H new ATOM 0 HB2 SER A 56 18.669 -18.930 1.280 1.00 0.00 H new ATOM 0 HB3 SER A 56 18.501 -18.411 2.945 1.00 0.00 H new ATOM 0 HG SER A 56 20.646 -19.153 2.469 1.00 0.00 H new ATOM 856 N ASP A 57 16.288 -19.294 4.309 1.00 0.00 N ATOM 857 CA ASP A 57 15.140 -18.628 4.912 1.00 0.00 C ATOM 858 C ASP A 57 14.845 -17.308 4.206 1.00 0.00 C ATOM 859 O ASP A 57 13.728 -16.793 4.271 1.00 0.00 O ATOM 860 CB ASP A 57 15.391 -18.379 6.400 1.00 0.00 C ATOM 861 CG ASP A 57 15.916 -19.611 7.112 1.00 0.00 C ATOM 862 OD1 ASP A 57 15.091 -20.452 7.526 1.00 0.00 O ATOM 863 OD2 ASP A 57 17.151 -19.733 7.256 1.00 0.00 O ATOM 0 H ASP A 57 17.054 -19.482 4.955 1.00 0.00 H new ATOM 0 HA ASP A 57 14.274 -19.280 4.802 1.00 0.00 H new ATOM 0 HB2 ASP A 57 16.106 -17.565 6.514 1.00 0.00 H new ATOM 0 HB3 ASP A 57 14.463 -18.057 6.873 1.00 0.00 H new ATOM 868 N LEU A 58 15.853 -16.764 3.534 1.00 0.00 N ATOM 869 CA LEU A 58 15.703 -15.503 2.816 1.00 0.00 C ATOM 870 C LEU A 58 14.799 -15.674 1.599 1.00 0.00 C ATOM 871 O LEU A 58 14.109 -14.740 1.192 1.00 0.00 O ATOM 872 CB LEU A 58 17.071 -14.976 2.380 1.00 0.00 C ATOM 873 CG LEU A 58 17.958 -14.411 3.490 1.00 0.00 C ATOM 874 CD1 LEU A 58 17.493 -13.019 3.888 1.00 0.00 C ATOM 875 CD2 LEU A 58 17.960 -15.340 4.695 1.00 0.00 C ATOM 0 H LEU A 58 16.784 -17.176 3.471 1.00 0.00 H new ATOM 0 HA LEU A 58 15.241 -14.782 3.490 1.00 0.00 H new ATOM 0 HB2 LEU A 58 17.610 -15.786 1.889 1.00 0.00 H new ATOM 0 HB3 LEU A 58 16.917 -14.197 1.634 1.00 0.00 H new ATOM 0 HG LEU A 58 18.978 -14.336 3.112 1.00 0.00 H new ATOM 0 HD11 LEU A 58 18.136 -12.633 4.679 1.00 0.00 H new ATOM 0 HD12 LEU A 58 17.544 -12.357 3.023 1.00 0.00 H new ATOM 0 HD13 LEU A 58 16.465 -13.068 4.247 1.00 0.00 H new ATOM 0 HD21 LEU A 58 18.596 -14.922 5.475 1.00 0.00 H new ATOM 0 HD22 LEU A 58 16.944 -15.447 5.074 1.00 0.00 H new ATOM 0 HD23 LEU A 58 18.342 -16.318 4.400 1.00 0.00 H new ATOM 887 N GLU A 59 14.808 -16.873 1.025 1.00 0.00 N ATOM 888 CA GLU A 59 13.988 -17.165 -0.145 1.00 0.00 C ATOM 889 C GLU A 59 12.824 -18.081 0.222 1.00 0.00 C ATOM 890 O GLU A 59 11.858 -18.207 -0.531 1.00 0.00 O ATOM 891 CB GLU A 59 14.836 -17.813 -1.241 1.00 0.00 C ATOM 892 CG GLU A 59 15.940 -16.913 -1.769 1.00 0.00 C ATOM 893 CD GLU A 59 15.474 -16.021 -2.903 1.00 0.00 C ATOM 894 OE1 GLU A 59 14.569 -15.191 -2.673 1.00 0.00 O ATOM 895 OE2 GLU A 59 16.014 -16.152 -4.021 1.00 0.00 O ATOM 0 H GLU A 59 15.373 -17.657 1.351 1.00 0.00 H new ATOM 0 HA GLU A 59 13.584 -16.224 -0.518 1.00 0.00 H new ATOM 0 HB2 GLU A 59 15.281 -18.729 -0.851 1.00 0.00 H new ATOM 0 HB3 GLU A 59 14.187 -18.101 -2.068 1.00 0.00 H new ATOM 0 HG2 GLU A 59 16.318 -16.293 -0.956 1.00 0.00 H new ATOM 0 HG3 GLU A 59 16.771 -17.528 -2.114 1.00 0.00 H new ATOM 902 N ARG A 60 12.925 -18.720 1.383 1.00 0.00 N ATOM 903 CA ARG A 60 11.882 -19.626 1.850 1.00 0.00 C ATOM 904 C ARG A 60 10.545 -18.901 1.969 1.00 0.00 C ATOM 905 O ARG A 60 10.463 -17.818 2.548 1.00 0.00 O ATOM 906 CB ARG A 60 12.269 -20.230 3.201 1.00 0.00 C ATOM 907 CG ARG A 60 11.595 -21.561 3.488 1.00 0.00 C ATOM 908 CD ARG A 60 12.401 -22.393 4.474 1.00 0.00 C ATOM 909 NE ARG A 60 11.553 -23.287 5.257 1.00 0.00 N ATOM 910 CZ ARG A 60 10.992 -24.386 4.764 1.00 0.00 C ATOM 911 NH1 ARG A 60 11.188 -24.723 3.497 1.00 0.00 N ATOM 912 NH2 ARG A 60 10.233 -25.150 5.540 1.00 0.00 N ATOM 0 H ARG A 60 13.718 -18.627 2.017 1.00 0.00 H new ATOM 0 HA ARG A 60 11.777 -20.427 1.118 1.00 0.00 H new ATOM 0 HB2 ARG A 60 13.350 -20.365 3.233 1.00 0.00 H new ATOM 0 HB3 ARG A 60 12.013 -19.525 3.992 1.00 0.00 H new ATOM 0 HG2 ARG A 60 10.597 -21.385 3.889 1.00 0.00 H new ATOM 0 HG3 ARG A 60 11.472 -22.116 2.558 1.00 0.00 H new ATOM 0 HD2 ARG A 60 13.143 -22.979 3.932 1.00 0.00 H new ATOM 0 HD3 ARG A 60 12.947 -21.731 5.146 1.00 0.00 H new ATOM 0 HE ARG A 60 11.382 -23.055 6.236 1.00 0.00 H new ATOM 0 HH11 ARG A 60 11.771 -24.138 2.898 1.00 0.00 H new ATOM 0 HH12 ARG A 60 10.756 -25.567 3.121 1.00 0.00 H new ATOM 0 HH21 ARG A 60 10.080 -24.894 6.515 1.00 0.00 H new ATOM 0 HH22 ARG A 60 9.803 -25.993 5.161 1.00 0.00 H new ATOM 926 N VAL A 61 9.498 -19.506 1.416 1.00 0.00 N ATOM 927 CA VAL A 61 8.165 -18.919 1.460 1.00 0.00 C ATOM 928 C VAL A 61 7.220 -19.763 2.308 1.00 0.00 C ATOM 929 O VAL A 61 6.724 -20.798 1.863 1.00 0.00 O ATOM 930 CB VAL A 61 7.571 -18.767 0.047 1.00 0.00 C ATOM 931 CG1 VAL A 61 6.160 -18.202 0.118 1.00 0.00 C ATOM 932 CG2 VAL A 61 8.464 -17.887 -0.814 1.00 0.00 C ATOM 0 H VAL A 61 9.548 -20.403 0.932 1.00 0.00 H new ATOM 0 HA VAL A 61 8.269 -17.932 1.910 1.00 0.00 H new ATOM 0 HB VAL A 61 7.518 -19.753 -0.414 1.00 0.00 H new ATOM 0 HG11 VAL A 61 5.757 -18.102 -0.890 1.00 0.00 H new ATOM 0 HG12 VAL A 61 5.527 -18.875 0.697 1.00 0.00 H new ATOM 0 HG13 VAL A 61 6.184 -17.224 0.598 1.00 0.00 H new ATOM 0 HG21 VAL A 61 8.029 -17.790 -1.809 1.00 0.00 H new ATOM 0 HG22 VAL A 61 8.551 -16.901 -0.359 1.00 0.00 H new ATOM 0 HG23 VAL A 61 9.453 -18.339 -0.893 1.00 0.00 H new ATOM 942 N THR A 62 6.975 -19.314 3.535 1.00 0.00 N ATOM 943 CA THR A 62 6.090 -20.028 4.448 1.00 0.00 C ATOM 944 C THR A 62 4.656 -19.526 4.328 1.00 0.00 C ATOM 945 O THR A 62 4.392 -18.525 3.662 1.00 0.00 O ATOM 946 CB THR A 62 6.554 -19.882 5.909 1.00 0.00 C ATOM 947 OG1 THR A 62 6.448 -18.515 6.322 1.00 0.00 O ATOM 948 CG2 THR A 62 7.990 -20.356 6.072 1.00 0.00 C ATOM 0 H THR A 62 7.377 -18.459 3.920 1.00 0.00 H new ATOM 0 HA THR A 62 6.128 -21.080 4.167 1.00 0.00 H new ATOM 0 HB THR A 62 5.911 -20.502 6.534 1.00 0.00 H new ATOM 0 HG1 THR A 62 6.743 -18.431 7.253 1.00 0.00 H new ATOM 0 HG21 THR A 62 8.295 -20.243 7.112 1.00 0.00 H new ATOM 0 HG22 THR A 62 8.062 -21.405 5.785 1.00 0.00 H new ATOM 0 HG23 THR A 62 8.644 -19.760 5.436 1.00 0.00 H new ATOM 956 N SER A 63 3.733 -20.227 4.979 1.00 0.00 N ATOM 957 CA SER A 63 2.323 -19.854 4.943 1.00 0.00 C ATOM 958 C SER A 63 2.119 -18.448 5.499 1.00 0.00 C ATOM 959 O SER A 63 1.260 -17.701 5.030 1.00 0.00 O ATOM 960 CB SER A 63 1.488 -20.857 5.740 1.00 0.00 C ATOM 961 OG SER A 63 1.790 -20.787 7.123 1.00 0.00 O ATOM 0 H SER A 63 3.936 -21.056 5.538 1.00 0.00 H new ATOM 0 HA SER A 63 1.996 -19.865 3.903 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.428 -20.656 5.585 1.00 0.00 H new ATOM 0 HB3 SER A 63 1.678 -21.866 5.374 1.00 0.00 H new ATOM 0 HG SER A 63 1.242 -21.437 7.611 1.00 0.00 H new ATOM 967 N LEU A 64 2.916 -18.095 6.502 1.00 0.00 N ATOM 968 CA LEU A 64 2.824 -16.779 7.124 1.00 0.00 C ATOM 969 C LEU A 64 3.332 -15.694 6.181 1.00 0.00 C ATOM 970 O LEU A 64 2.762 -14.605 6.104 1.00 0.00 O ATOM 971 CB LEU A 64 3.624 -16.752 8.428 1.00 0.00 C ATOM 972 CG LEU A 64 3.804 -15.380 9.077 1.00 0.00 C ATOM 973 CD1 LEU A 64 2.454 -14.776 9.432 1.00 0.00 C ATOM 974 CD2 LEU A 64 4.685 -15.486 10.314 1.00 0.00 C ATOM 0 H LEU A 64 3.632 -18.701 6.901 1.00 0.00 H new ATOM 0 HA LEU A 64 1.775 -16.582 7.344 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.133 -17.409 9.146 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.611 -17.172 8.234 1.00 0.00 H new ATOM 0 HG LEU A 64 4.296 -14.722 8.360 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.602 -13.799 9.893 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.857 -14.663 8.527 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.934 -15.432 10.131 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.802 -14.500 10.763 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.221 -16.160 11.034 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.663 -15.875 10.032 1.00 0.00 H new ATOM 986 N LYS A 65 4.408 -15.998 5.462 1.00 0.00 N ATOM 987 CA LYS A 65 4.992 -15.051 4.520 1.00 0.00 C ATOM 988 C LYS A 65 3.990 -14.677 3.433 1.00 0.00 C ATOM 989 O LYS A 65 3.893 -13.515 3.037 1.00 0.00 O ATOM 990 CB LYS A 65 6.252 -15.644 3.884 1.00 0.00 C ATOM 991 CG LYS A 65 7.513 -15.404 4.696 1.00 0.00 C ATOM 992 CD LYS A 65 8.764 -15.618 3.860 1.00 0.00 C ATOM 993 CE LYS A 65 9.949 -16.022 4.723 1.00 0.00 C ATOM 994 NZ LYS A 65 9.773 -17.381 5.305 1.00 0.00 N ATOM 0 H LYS A 65 4.893 -16.894 5.514 1.00 0.00 H new ATOM 0 HA LYS A 65 5.259 -14.148 5.070 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.113 -16.717 3.754 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.383 -15.216 2.890 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.506 -14.387 5.088 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.528 -16.076 5.554 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.576 -16.390 3.114 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.002 -14.702 3.319 1.00 0.00 H new ATOM 0 HE2 LYS A 65 10.859 -15.999 4.124 1.00 0.00 H new ATOM 0 HE3 LYS A 65 10.077 -15.297 5.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.956 -17.347 6.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.800 -17.707 5.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.441 -18.040 4.856 1.00 0.00 H new ATOM 1008 N VAL A 66 3.245 -15.668 2.953 1.00 0.00 N ATOM 1009 CA VAL A 66 2.248 -15.442 1.914 1.00 0.00 C ATOM 1010 C VAL A 66 1.147 -14.508 2.403 1.00 0.00 C ATOM 1011 O VAL A 66 0.672 -13.648 1.660 1.00 0.00 O ATOM 1012 CB VAL A 66 1.614 -16.765 1.447 1.00 0.00 C ATOM 1013 CG1 VAL A 66 0.378 -16.497 0.602 1.00 0.00 C ATOM 1014 CG2 VAL A 66 2.626 -17.597 0.674 1.00 0.00 C ATOM 0 H VAL A 66 3.314 -16.636 3.268 1.00 0.00 H new ATOM 0 HA VAL A 66 2.766 -14.980 1.074 1.00 0.00 H new ATOM 0 HB VAL A 66 1.308 -17.330 2.327 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.056 -17.444 0.281 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.353 -15.944 1.192 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.656 -15.910 -0.274 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.161 -18.529 0.352 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.965 -17.039 -0.199 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.479 -17.820 1.315 1.00 0.00 H new ATOM 1024 N TYR A 67 0.745 -14.682 3.657 1.00 0.00 N ATOM 1025 CA TYR A 67 -0.303 -13.855 4.245 1.00 0.00 C ATOM 1026 C TYR A 67 0.152 -12.404 4.368 1.00 0.00 C ATOM 1027 O TYR A 67 -0.629 -11.478 4.157 1.00 0.00 O ATOM 1028 CB TYR A 67 -0.696 -14.397 5.621 1.00 0.00 C ATOM 1029 CG TYR A 67 -1.878 -13.683 6.236 1.00 0.00 C ATOM 1030 CD1 TYR A 67 -3.131 -13.730 5.638 1.00 0.00 C ATOM 1031 CD2 TYR A 67 -1.743 -12.964 7.418 1.00 0.00 C ATOM 1032 CE1 TYR A 67 -4.214 -13.079 6.197 1.00 0.00 C ATOM 1033 CE2 TYR A 67 -2.820 -12.312 7.984 1.00 0.00 C ATOM 1034 CZ TYR A 67 -4.054 -12.371 7.370 1.00 0.00 C ATOM 1035 OH TYR A 67 -5.130 -11.723 7.931 1.00 0.00 O ATOM 0 H TYR A 67 1.128 -15.388 4.286 1.00 0.00 H new ATOM 0 HA TYR A 67 -1.171 -13.889 3.586 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -0.929 -15.458 5.532 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.158 -14.314 6.293 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -3.261 -14.285 4.721 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -0.779 -12.915 7.902 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -5.181 -13.124 5.718 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.697 -11.758 8.903 1.00 0.00 H new ATOM 0 HH TYR A 67 -4.848 -11.273 8.755 1.00 0.00 H new ATOM 1045 N ASN A 68 1.423 -12.217 4.710 1.00 0.00 N ATOM 1046 CA ASN A 68 1.984 -10.879 4.861 1.00 0.00 C ATOM 1047 C ASN A 68 1.924 -10.112 3.544 1.00 0.00 C ATOM 1048 O ASN A 68 1.566 -8.934 3.516 1.00 0.00 O ATOM 1049 CB ASN A 68 3.431 -10.963 5.350 1.00 0.00 C ATOM 1050 CG ASN A 68 3.529 -11.009 6.863 1.00 0.00 C ATOM 1051 OD1 ASN A 68 3.077 -10.096 7.553 1.00 0.00 O ATOM 1052 ND2 ASN A 68 4.122 -12.077 7.385 1.00 0.00 N ATOM 0 H ASN A 68 2.083 -12.974 4.888 1.00 0.00 H new ATOM 0 HA ASN A 68 1.388 -10.343 5.600 1.00 0.00 H new ATOM 0 HB2 ASN A 68 3.902 -11.852 4.931 1.00 0.00 H new ATOM 0 HB3 ASN A 68 3.988 -10.102 4.979 1.00 0.00 H new ATOM 0 HD21 ASN A 68 4.217 -12.164 8.397 1.00 0.00 H new ATOM 0 HD22 ASN A 68 4.482 -12.810 6.774 1.00 0.00 H new ATOM 1059 N TRP A 69 2.275 -10.788 2.456 1.00 0.00 N ATOM 1060 CA TRP A 69 2.261 -10.170 1.135 1.00 0.00 C ATOM 1061 C TRP A 69 0.833 -9.881 0.684 1.00 0.00 C ATOM 1062 O TRP A 69 0.543 -8.805 0.161 1.00 0.00 O ATOM 1063 CB TRP A 69 2.956 -11.076 0.118 1.00 0.00 C ATOM 1064 CG TRP A 69 3.024 -10.483 -1.257 1.00 0.00 C ATOM 1065 CD1 TRP A 69 4.081 -9.821 -1.813 1.00 0.00 C ATOM 1066 CD2 TRP A 69 1.991 -10.498 -2.249 1.00 0.00 C ATOM 1067 NE1 TRP A 69 3.768 -9.423 -3.090 1.00 0.00 N ATOM 1068 CE2 TRP A 69 2.492 -9.827 -3.382 1.00 0.00 C ATOM 1069 CE3 TRP A 69 0.694 -11.014 -2.291 1.00 0.00 C ATOM 1070 CZ2 TRP A 69 1.738 -9.659 -4.540 1.00 0.00 C ATOM 1071 CZ3 TRP A 69 -0.053 -10.847 -3.441 1.00 0.00 C ATOM 1072 CH2 TRP A 69 0.471 -10.175 -4.553 1.00 0.00 C ATOM 0 H TRP A 69 2.573 -11.764 2.462 1.00 0.00 H new ATOM 0 HA TRP A 69 2.801 -9.225 1.198 1.00 0.00 H new ATOM 0 HB2 TRP A 69 3.967 -11.290 0.464 1.00 0.00 H new ATOM 0 HB3 TRP A 69 2.428 -12.028 0.070 1.00 0.00 H new ATOM 0 HD1 TRP A 69 5.025 -9.637 -1.321 1.00 0.00 H new ATOM 0 HE1 TRP A 69 4.386 -8.910 -3.719 1.00 0.00 H new ATOM 0 HE3 TRP A 69 0.282 -11.535 -1.439 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 2.139 -9.140 -5.398 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 -1.058 -11.241 -3.484 1.00 0.00 H new ATOM 0 HH2 TRP A 69 -0.137 -10.062 -5.438 1.00 0.00 H new ATOM 1083 N PHE A 70 -0.055 -10.848 0.891 1.00 0.00 N ATOM 1084 CA PHE A 70 -1.453 -10.697 0.505 1.00 0.00 C ATOM 1085 C PHE A 70 -2.104 -9.542 1.260 1.00 0.00 C ATOM 1086 O PHE A 70 -2.798 -8.714 0.671 1.00 0.00 O ATOM 1087 CB PHE A 70 -2.221 -11.993 0.773 1.00 0.00 C ATOM 1088 CG PHE A 70 -2.205 -12.949 -0.385 1.00 0.00 C ATOM 1089 CD1 PHE A 70 -1.011 -13.483 -0.843 1.00 0.00 C ATOM 1090 CD2 PHE A 70 -3.383 -13.314 -1.016 1.00 0.00 C ATOM 1091 CE1 PHE A 70 -0.992 -14.364 -1.908 1.00 0.00 C ATOM 1092 CE2 PHE A 70 -3.371 -14.194 -2.081 1.00 0.00 C ATOM 1093 CZ PHE A 70 -2.174 -14.719 -2.529 1.00 0.00 C ATOM 0 H PHE A 70 0.169 -11.744 1.324 1.00 0.00 H new ATOM 0 HA PHE A 70 -1.487 -10.476 -0.562 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -1.793 -12.485 1.646 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -3.255 -11.749 1.019 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -0.084 -13.207 -0.362 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -4.322 -12.906 -0.671 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -0.055 -14.774 -2.254 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.297 -14.471 -2.563 1.00 0.00 H new ATOM 0 HZ PHE A 70 -2.162 -15.405 -3.363 1.00 0.00 H new ATOM 1103 N ALA A 71 -1.874 -9.493 2.568 1.00 0.00 N ATOM 1104 CA ALA A 71 -2.436 -8.440 3.404 1.00 0.00 C ATOM 1105 C ALA A 71 -1.983 -7.063 2.931 1.00 0.00 C ATOM 1106 O ALA A 71 -2.748 -6.100 2.971 1.00 0.00 O ATOM 1107 CB ALA A 71 -2.045 -8.655 4.859 1.00 0.00 C ATOM 0 H ALA A 71 -1.302 -10.171 3.072 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.522 -8.485 3.321 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.472 -7.861 5.472 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -2.424 -9.619 5.199 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.959 -8.639 4.950 1.00 0.00 H new ATOM 1113 N ASN A 72 -0.735 -6.978 2.482 1.00 0.00 N ATOM 1114 CA ASN A 72 -0.180 -5.717 2.002 1.00 0.00 C ATOM 1115 C ASN A 72 -0.926 -5.231 0.764 1.00 0.00 C ATOM 1116 O ASN A 72 -1.130 -4.031 0.580 1.00 0.00 O ATOM 1117 CB ASN A 72 1.308 -5.879 1.684 1.00 0.00 C ATOM 1118 CG ASN A 72 2.052 -4.558 1.710 1.00 0.00 C ATOM 1119 OD1 ASN A 72 1.595 -3.565 1.144 1.00 0.00 O ATOM 1120 ND2 ASN A 72 3.205 -4.541 2.368 1.00 0.00 N ATOM 0 H ASN A 72 -0.089 -7.766 2.440 1.00 0.00 H new ATOM 0 HA ASN A 72 -0.297 -4.973 2.790 1.00 0.00 H new ATOM 0 HB2 ASN A 72 1.759 -6.561 2.405 1.00 0.00 H new ATOM 0 HB3 ASN A 72 1.419 -6.336 0.701 1.00 0.00 H new ATOM 0 HD21 ASN A 72 3.750 -3.681 2.419 1.00 0.00 H new ATOM 0 HD22 ASN A 72 3.545 -5.388 2.822 1.00 0.00 H new ATOM 1127 N ARG A 73 -1.332 -6.171 -0.083 1.00 0.00 N ATOM 1128 CA ARG A 73 -2.055 -5.839 -1.305 1.00 0.00 C ATOM 1129 C ARG A 73 -3.488 -5.419 -0.991 1.00 0.00 C ATOM 1130 O ARG A 73 -3.965 -4.394 -1.479 1.00 0.00 O ATOM 1131 CB ARG A 73 -2.060 -7.034 -2.261 1.00 0.00 C ATOM 1132 CG ARG A 73 -3.039 -6.887 -3.414 1.00 0.00 C ATOM 1133 CD ARG A 73 -2.556 -5.860 -4.427 1.00 0.00 C ATOM 1134 NE ARG A 73 -3.595 -5.516 -5.395 1.00 0.00 N ATOM 1135 CZ ARG A 73 -3.340 -5.026 -6.603 1.00 0.00 C ATOM 1136 NH1 ARG A 73 -2.088 -4.824 -6.989 1.00 0.00 N ATOM 1137 NH2 ARG A 73 -4.339 -4.738 -7.427 1.00 0.00 N ATOM 0 H ARG A 73 -1.173 -7.169 0.055 1.00 0.00 H new ATOM 0 HA ARG A 73 -1.546 -5.002 -1.783 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -1.056 -7.171 -2.663 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -2.305 -7.936 -1.700 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -3.171 -7.851 -3.906 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -4.014 -6.589 -3.029 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -2.234 -4.959 -3.905 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -1.685 -6.251 -4.953 1.00 0.00 H new ATOM 0 HE ARG A 73 -4.569 -5.660 -5.129 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -1.318 -5.045 -6.358 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -1.895 -4.448 -7.917 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -5.303 -4.893 -7.133 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -4.143 -4.362 -8.355 1.00 0.00 H new ATOM 1151 N ARG A 74 -4.168 -6.218 -0.176 1.00 0.00 N ATOM 1152 CA ARG A 74 -5.546 -5.930 0.201 1.00 0.00 C ATOM 1153 C ARG A 74 -5.656 -4.554 0.853 1.00 0.00 C ATOM 1154 O ARG A 74 -6.551 -3.772 0.532 1.00 0.00 O ATOM 1155 CB ARG A 74 -6.071 -7.002 1.158 1.00 0.00 C ATOM 1156 CG ARG A 74 -6.033 -8.406 0.579 1.00 0.00 C ATOM 1157 CD ARG A 74 -7.147 -9.273 1.146 1.00 0.00 C ATOM 1158 NE ARG A 74 -6.872 -9.689 2.518 1.00 0.00 N ATOM 1159 CZ ARG A 74 -6.083 -10.710 2.833 1.00 0.00 C ATOM 1160 NH1 ARG A 74 -5.495 -11.416 1.878 1.00 0.00 N ATOM 1161 NH2 ARG A 74 -5.882 -11.027 4.106 1.00 0.00 N ATOM 0 H ARG A 74 -3.787 -7.070 0.236 1.00 0.00 H new ATOM 0 HA ARG A 74 -6.151 -5.933 -0.705 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -5.481 -6.980 2.074 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -7.097 -6.760 1.434 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -6.126 -8.356 -0.506 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -5.068 -8.864 0.796 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -8.087 -8.721 1.116 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -7.275 -10.155 0.518 1.00 0.00 H new ATOM 0 HE ARG A 74 -7.310 -9.167 3.277 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -5.648 -11.176 0.899 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -4.890 -12.200 2.122 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -6.334 -10.486 4.844 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -5.276 -11.811 4.347 1.00 0.00 H new ATOM 1175 N LYS A 75 -4.739 -4.265 1.770 1.00 0.00 N ATOM 1176 CA LYS A 75 -4.731 -2.984 2.467 1.00 0.00 C ATOM 1177 C LYS A 75 -4.293 -1.860 1.534 1.00 0.00 C ATOM 1178 O LYS A 75 -4.751 -0.724 1.659 1.00 0.00 O ATOM 1179 CB LYS A 75 -3.799 -3.046 3.680 1.00 0.00 C ATOM 1180 CG LYS A 75 -2.348 -2.746 3.347 1.00 0.00 C ATOM 1181 CD LYS A 75 -1.399 -3.472 4.287 1.00 0.00 C ATOM 1182 CE LYS A 75 -1.522 -2.955 5.712 1.00 0.00 C ATOM 1183 NZ LYS A 75 -2.633 -3.619 6.449 1.00 0.00 N ATOM 0 H LYS A 75 -3.991 -4.901 2.048 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.746 -2.777 2.806 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.145 -2.336 4.431 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.863 -4.038 4.127 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.141 -3.042 2.319 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -2.174 -1.672 3.410 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.612 -4.541 4.267 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -0.374 -3.345 3.940 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -0.584 -3.122 6.241 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -1.690 -1.878 5.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -2.380 -3.705 7.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -3.499 -3.051 6.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -2.796 -4.566 6.051 1.00 0.00 H new ATOM 1197 N GLU A 76 -3.407 -2.185 0.598 1.00 0.00 N ATOM 1198 CA GLU A 76 -2.909 -1.201 -0.356 1.00 0.00 C ATOM 1199 C GLU A 76 -4.001 -0.802 -1.346 1.00 0.00 C ATOM 1200 O GLU A 76 -4.095 0.358 -1.747 1.00 0.00 O ATOM 1201 CB GLU A 76 -1.700 -1.756 -1.111 1.00 0.00 C ATOM 1202 CG GLU A 76 -1.525 -1.165 -2.500 1.00 0.00 C ATOM 1203 CD GLU A 76 -0.074 -1.122 -2.938 1.00 0.00 C ATOM 1204 OE1 GLU A 76 0.694 -0.319 -2.368 1.00 0.00 O ATOM 1205 OE2 GLU A 76 0.294 -1.892 -3.850 1.00 0.00 O ATOM 0 H GLU A 76 -3.020 -3.121 0.480 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.605 -0.315 0.201 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.799 -1.565 -0.528 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.801 -2.838 -1.196 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -2.099 -1.753 -3.216 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.935 -0.155 -2.515 1.00 0.00 H new ATOM 1212 N ILE A 77 -4.822 -1.772 -1.734 1.00 0.00 N ATOM 1213 CA ILE A 77 -5.906 -1.523 -2.675 1.00 0.00 C ATOM 1214 C ILE A 77 -7.098 -0.871 -1.981 1.00 0.00 C ATOM 1215 O ILE A 77 -7.717 0.048 -2.518 1.00 0.00 O ATOM 1216 CB ILE A 77 -6.372 -2.824 -3.356 1.00 0.00 C ATOM 1217 CG1 ILE A 77 -6.915 -3.804 -2.314 1.00 0.00 C ATOM 1218 CG2 ILE A 77 -5.226 -3.452 -4.136 1.00 0.00 C ATOM 1219 CD1 ILE A 77 -7.417 -5.101 -2.908 1.00 0.00 C ATOM 0 H ILE A 77 -4.757 -2.737 -1.411 1.00 0.00 H new ATOM 0 HA ILE A 77 -5.515 -0.846 -3.434 1.00 0.00 H new ATOM 0 HB ILE A 77 -7.174 -2.585 -4.055 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -6.130 -4.025 -1.591 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -7.727 -3.326 -1.766 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -5.570 -4.370 -4.612 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -4.881 -2.755 -4.900 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -4.405 -3.681 -3.456 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -7.787 -5.747 -2.112 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -8.224 -4.891 -3.610 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -6.602 -5.601 -3.431 1.00 0.00 H new ATOM 1231 N LYS A 78 -7.413 -1.352 -0.783 1.00 0.00 N ATOM 1232 CA LYS A 78 -8.528 -0.815 -0.013 1.00 0.00 C ATOM 1233 C LYS A 78 -8.225 0.600 0.470 1.00 0.00 C ATOM 1234 O LYS A 78 -9.104 1.462 0.485 1.00 0.00 O ATOM 1235 CB LYS A 78 -8.830 -1.720 1.184 1.00 0.00 C ATOM 1236 CG LYS A 78 -7.799 -1.622 2.296 1.00 0.00 C ATOM 1237 CD LYS A 78 -8.154 -0.528 3.290 1.00 0.00 C ATOM 1238 CE LYS A 78 -9.082 -1.044 4.379 1.00 0.00 C ATOM 1239 NZ LYS A 78 -9.584 0.057 5.247 1.00 0.00 N ATOM 0 H LYS A 78 -6.912 -2.113 -0.325 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.402 -0.778 -0.663 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.810 -1.463 1.585 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.887 -2.754 0.842 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -7.730 -2.578 2.815 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -6.817 -1.421 1.867 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -7.243 -0.136 3.742 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.631 0.300 2.766 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -9.926 -1.560 3.922 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -8.554 -1.776 4.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -10.213 -0.335 5.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -8.780 0.534 5.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -10.110 0.743 4.669 1.00 0.00 H new ATOM 1253 N ARG A 79 -6.977 0.832 0.862 1.00 0.00 N ATOM 1254 CA ARG A 79 -6.558 2.142 1.344 1.00 0.00 C ATOM 1255 C ARG A 79 -6.673 3.190 0.241 1.00 0.00 C ATOM 1256 O ARG A 79 -7.006 4.346 0.501 1.00 0.00 O ATOM 1257 CB ARG A 79 -5.119 2.084 1.859 1.00 0.00 C ATOM 1258 CG ARG A 79 -4.602 3.418 2.375 1.00 0.00 C ATOM 1259 CD ARG A 79 -3.178 3.300 2.893 1.00 0.00 C ATOM 1260 NE ARG A 79 -3.069 2.334 3.983 1.00 0.00 N ATOM 1261 CZ ARG A 79 -3.544 2.548 5.205 1.00 0.00 C ATOM 1262 NH1 ARG A 79 -4.156 3.688 5.491 1.00 0.00 N ATOM 1263 NH2 ARG A 79 -3.407 1.619 6.143 1.00 0.00 N ATOM 0 H ARG A 79 -6.238 0.129 0.855 1.00 0.00 H new ATOM 0 HA ARG A 79 -7.218 2.428 2.163 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -5.058 1.346 2.659 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -4.468 1.738 1.056 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -4.639 4.158 1.575 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -5.252 3.778 3.173 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -2.519 3.002 2.077 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -2.836 4.276 3.238 1.00 0.00 H new ATOM 0 HE ARG A 79 -2.603 1.446 3.796 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -4.263 4.404 4.772 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -4.520 3.850 6.430 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -2.937 0.740 5.926 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -3.772 1.784 7.081 1.00 0.00 H new ATOM 1277 N ARG A 80 -6.395 2.777 -0.991 1.00 0.00 N ATOM 1278 CA ARG A 80 -6.466 3.680 -2.134 1.00 0.00 C ATOM 1279 C ARG A 80 -7.916 3.960 -2.517 1.00 0.00 C ATOM 1280 O ARG A 80 -8.226 5.002 -3.093 1.00 0.00 O ATOM 1281 CB ARG A 80 -5.717 3.085 -3.328 1.00 0.00 C ATOM 1282 CG ARG A 80 -5.880 3.886 -4.610 1.00 0.00 C ATOM 1283 CD ARG A 80 -4.666 3.743 -5.514 1.00 0.00 C ATOM 1284 NE ARG A 80 -4.788 4.550 -6.725 1.00 0.00 N ATOM 1285 CZ ARG A 80 -3.765 4.839 -7.521 1.00 0.00 C ATOM 1286 NH1 ARG A 80 -2.551 4.389 -7.237 1.00 0.00 N ATOM 1287 NH2 ARG A 80 -3.955 5.580 -8.606 1.00 0.00 N ATOM 0 H ARG A 80 -6.119 1.823 -1.224 1.00 0.00 H new ATOM 0 HA ARG A 80 -5.995 4.622 -1.851 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -4.657 3.018 -3.084 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -6.070 2.068 -3.498 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -6.771 3.549 -5.140 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -6.032 4.938 -4.367 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -3.771 4.041 -4.968 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -4.539 2.696 -5.788 1.00 0.00 H new ATOM 0 HE ARG A 80 -5.709 4.911 -6.973 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -2.400 3.819 -6.405 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -1.768 4.613 -7.851 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -4.887 5.928 -8.829 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -3.168 5.801 -9.217 1.00 0.00 H new ATOM 1301 N ALA A 81 -8.800 3.021 -2.194 1.00 0.00 N ATOM 1302 CA ALA A 81 -10.217 3.167 -2.503 1.00 0.00 C ATOM 1303 C ALA A 81 -10.911 4.063 -1.482 1.00 0.00 C ATOM 1304 O ALA A 81 -11.964 4.635 -1.760 1.00 0.00 O ATOM 1305 CB ALA A 81 -10.889 1.803 -2.555 1.00 0.00 C ATOM 0 H ALA A 81 -8.559 2.151 -1.718 1.00 0.00 H new ATOM 0 HA ALA A 81 -10.304 3.640 -3.481 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -11.947 1.927 -2.787 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -10.418 1.194 -3.327 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -10.785 1.309 -1.589 1.00 0.00 H new ATOM 1311 N ASN A 82 -10.315 4.178 -0.300 1.00 0.00 N ATOM 1312 CA ASN A 82 -10.878 5.003 0.763 1.00 0.00 C ATOM 1313 C ASN A 82 -10.111 6.315 0.897 1.00 0.00 C ATOM 1314 O ASN A 82 -10.686 7.397 0.779 1.00 0.00 O ATOM 1315 CB ASN A 82 -10.853 4.246 2.092 1.00 0.00 C ATOM 1316 CG ASN A 82 -11.787 4.854 3.121 1.00 0.00 C ATOM 1317 OD1 ASN A 82 -12.156 6.024 3.026 1.00 0.00 O ATOM 1318 ND2 ASN A 82 -12.172 4.059 4.113 1.00 0.00 N ATOM 0 H ASN A 82 -9.442 3.711 -0.054 1.00 0.00 H new ATOM 0 HA ASN A 82 -11.911 5.232 0.503 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -11.133 3.207 1.920 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -9.837 4.242 2.486 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -12.799 4.413 4.836 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -11.841 3.095 4.152 1.00 0.00 H new ATOM 1325 N ILE A 83 -8.809 6.210 1.144 1.00 0.00 N ATOM 1326 CA ILE A 83 -7.963 7.388 1.293 1.00 0.00 C ATOM 1327 C ILE A 83 -8.538 8.350 2.327 1.00 0.00 C ATOM 1328 O ILE A 83 -8.682 9.544 2.066 1.00 0.00 O ATOM 1329 CB ILE A 83 -7.793 8.131 -0.045 1.00 0.00 C ATOM 1330 CG1 ILE A 83 -7.645 7.131 -1.194 1.00 0.00 C ATOM 1331 CG2 ILE A 83 -6.590 9.060 0.015 1.00 0.00 C ATOM 1332 CD1 ILE A 83 -7.837 7.749 -2.561 1.00 0.00 C ATOM 0 H ILE A 83 -8.318 5.322 1.245 1.00 0.00 H new ATOM 0 HA ILE A 83 -6.988 7.036 1.630 1.00 0.00 H new ATOM 0 HB ILE A 83 -8.684 8.733 -0.226 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -6.655 6.677 -1.145 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -8.370 6.328 -1.062 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -6.483 9.578 -0.938 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -6.734 9.790 0.811 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -5.690 8.478 0.215 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -7.718 6.983 -3.327 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -8.837 8.178 -2.629 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -7.095 8.533 -2.714 1.00 0.00 H new ATOM 1344 N ALA A 84 -8.862 7.822 3.503 1.00 0.00 N ATOM 1345 CA ALA A 84 -9.417 8.635 4.578 1.00 0.00 C ATOM 1346 C ALA A 84 -8.326 9.440 5.276 1.00 0.00 C ATOM 1347 O ALA A 84 -8.203 9.405 6.500 1.00 0.00 O ATOM 1348 CB ALA A 84 -10.149 7.755 5.580 1.00 0.00 C ATOM 0 H ALA A 84 -8.750 6.835 3.735 1.00 0.00 H new ATOM 0 HA ALA A 84 -10.127 9.337 4.141 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -10.559 8.375 6.378 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -10.960 7.228 5.077 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -9.454 7.031 6.004 1.00 0.00 H new ATOM 1354 N ALA A 85 -7.536 10.164 4.490 1.00 0.00 N ATOM 1355 CA ALA A 85 -6.457 10.979 5.034 1.00 0.00 C ATOM 1356 C ALA A 85 -6.407 12.345 4.358 1.00 0.00 C ATOM 1357 O ALA A 85 -6.147 12.445 3.158 1.00 0.00 O ATOM 1358 CB ALA A 85 -5.124 10.262 4.877 1.00 0.00 C ATOM 0 H ALA A 85 -7.623 10.203 3.474 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.651 11.134 6.095 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -4.327 10.882 5.287 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.157 9.312 5.411 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.932 10.078 3.820 1.00 0.00 H new ATOM 1364 N ILE A 86 -6.657 13.394 5.135 1.00 0.00 N ATOM 1365 CA ILE A 86 -6.639 14.754 4.611 1.00 0.00 C ATOM 1366 C ILE A 86 -5.449 15.537 5.153 1.00 0.00 C ATOM 1367 O ILE A 86 -4.827 16.320 4.434 1.00 0.00 O ATOM 1368 CB ILE A 86 -7.936 15.507 4.958 1.00 0.00 C ATOM 1369 CG1 ILE A 86 -9.151 14.758 4.407 1.00 0.00 C ATOM 1370 CG2 ILE A 86 -7.888 16.926 4.410 1.00 0.00 C ATOM 1371 CD1 ILE A 86 -9.162 14.652 2.898 1.00 0.00 C ATOM 0 H ILE A 86 -6.874 13.328 6.129 1.00 0.00 H new ATOM 0 HA ILE A 86 -6.554 14.674 3.527 1.00 0.00 H new ATOM 0 HB ILE A 86 -8.028 15.560 6.043 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -9.174 13.755 4.834 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -10.059 15.264 4.734 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -8.812 17.445 4.664 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -7.042 17.456 4.847 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -7.775 16.894 3.326 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -10.051 14.109 2.578 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -9.171 15.651 2.463 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -8.272 14.119 2.564 1.00 0.00 H new ATOM 1383 N LEU A 87 -5.134 15.319 6.425 1.00 0.00 N ATOM 1384 CA LEU A 87 -4.016 16.003 7.065 1.00 0.00 C ATOM 1385 C LEU A 87 -2.785 15.995 6.163 1.00 0.00 C ATOM 1386 O LEU A 87 -2.738 15.272 5.169 1.00 0.00 O ATOM 1387 CB LEU A 87 -3.685 15.340 8.403 1.00 0.00 C ATOM 1388 CG LEU A 87 -4.740 15.481 9.501 1.00 0.00 C ATOM 1389 CD1 LEU A 87 -4.543 14.419 10.571 1.00 0.00 C ATOM 1390 CD2 LEU A 87 -4.690 16.874 10.114 1.00 0.00 C ATOM 0 H LEU A 87 -5.637 14.674 7.034 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.309 17.038 7.242 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.513 14.278 8.227 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.748 15.758 8.771 1.00 0.00 H new ATOM 0 HG LEU A 87 -5.723 15.338 9.053 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.303 14.536 11.344 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -4.631 13.430 10.122 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -3.554 14.529 11.015 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -5.448 16.956 10.893 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -3.704 17.046 10.547 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.882 17.619 9.341 1.00 0.00 H new ATOM 1402 N GLU A 88 -1.792 16.803 6.520 1.00 0.00 N ATOM 1403 CA GLU A 88 -0.561 16.888 5.743 1.00 0.00 C ATOM 1404 C GLU A 88 0.306 15.652 5.961 1.00 0.00 C ATOM 1405 O GLU A 88 0.358 15.103 7.062 1.00 0.00 O ATOM 1406 CB GLU A 88 0.222 18.147 6.122 1.00 0.00 C ATOM 1407 CG GLU A 88 0.711 18.150 7.561 1.00 0.00 C ATOM 1408 CD GLU A 88 1.978 18.962 7.745 1.00 0.00 C ATOM 1409 OE1 GLU A 88 3.077 18.386 7.601 1.00 0.00 O ATOM 1410 OE2 GLU A 88 1.872 20.172 8.032 1.00 0.00 O ATOM 0 H GLU A 88 -1.816 17.407 7.341 1.00 0.00 H new ATOM 0 HA GLU A 88 -0.830 16.940 4.688 1.00 0.00 H new ATOM 0 HB2 GLU A 88 1.079 18.246 5.456 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -0.410 19.020 5.960 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -0.071 18.552 8.206 1.00 0.00 H new ATOM 0 HG3 GLU A 88 0.892 17.124 7.881 1.00 0.00 H new ATOM 1417 N SER A 89 0.986 15.218 4.904 1.00 0.00 N ATOM 1418 CA SER A 89 1.848 14.045 4.978 1.00 0.00 C ATOM 1419 C SER A 89 2.912 14.082 3.885 1.00 0.00 C ATOM 1420 O SER A 89 2.616 14.370 2.726 1.00 0.00 O ATOM 1421 CB SER A 89 1.016 12.766 4.853 1.00 0.00 C ATOM 1422 OG SER A 89 0.266 12.529 6.031 1.00 0.00 O ATOM 0 H SER A 89 0.956 15.662 3.986 1.00 0.00 H new ATOM 0 HA SER A 89 2.347 14.052 5.947 1.00 0.00 H new ATOM 0 HB2 SER A 89 0.343 12.848 4.000 1.00 0.00 H new ATOM 0 HB3 SER A 89 1.673 11.918 4.660 1.00 0.00 H new ATOM 0 HG SER A 89 0.313 13.316 6.613 1.00 0.00 H new ATOM 1428 N SER A 90 4.151 13.789 4.264 1.00 0.00 N ATOM 1429 CA SER A 90 5.261 13.792 3.319 1.00 0.00 C ATOM 1430 C SER A 90 5.683 12.368 2.971 1.00 0.00 C ATOM 1431 O SER A 90 6.378 11.708 3.743 1.00 0.00 O ATOM 1432 CB SER A 90 6.450 14.561 3.898 1.00 0.00 C ATOM 1433 OG SER A 90 6.109 15.913 4.151 1.00 0.00 O ATOM 0 H SER A 90 4.412 13.546 5.220 1.00 0.00 H new ATOM 0 HA SER A 90 4.927 14.286 2.407 1.00 0.00 H new ATOM 0 HB2 SER A 90 6.778 14.086 4.823 1.00 0.00 H new ATOM 0 HB3 SER A 90 7.288 14.518 3.203 1.00 0.00 H new ATOM 0 HG SER A 90 6.885 16.382 4.522 1.00 0.00 H new ATOM 1439 N GLY A 91 5.257 11.899 1.802 1.00 0.00 N ATOM 1440 CA GLY A 91 5.600 10.557 1.371 1.00 0.00 C ATOM 1441 C GLY A 91 6.129 10.520 -0.049 1.00 0.00 C ATOM 1442 O GLY A 91 5.630 11.210 -0.938 1.00 0.00 O ATOM 0 H GLY A 91 4.680 12.425 1.146 1.00 0.00 H new ATOM 0 HA2 GLY A 91 6.350 10.143 2.045 1.00 0.00 H new ATOM 0 HA3 GLY A 91 4.719 9.919 1.444 1.00 0.00 H new ATOM 1446 N PRO A 92 7.166 9.701 -0.277 1.00 0.00 N ATOM 1447 CA PRO A 92 7.788 9.559 -1.597 1.00 0.00 C ATOM 1448 C PRO A 92 6.879 8.845 -2.591 1.00 0.00 C ATOM 1449 O PRO A 92 7.061 8.956 -3.804 1.00 0.00 O ATOM 1450 CB PRO A 92 9.035 8.718 -1.313 1.00 0.00 C ATOM 1451 CG PRO A 92 8.704 7.954 -0.078 1.00 0.00 C ATOM 1452 CD PRO A 92 7.812 8.850 0.737 1.00 0.00 C ATOM 0 HA PRO A 92 8.004 10.525 -2.052 1.00 0.00 H new ATOM 0 HB2 PRO A 92 9.259 8.049 -2.144 1.00 0.00 H new ATOM 0 HB3 PRO A 92 9.912 9.348 -1.166 1.00 0.00 H new ATOM 0 HG2 PRO A 92 8.200 7.019 -0.321 1.00 0.00 H new ATOM 0 HG3 PRO A 92 9.607 7.695 0.475 1.00 0.00 H new ATOM 0 HD2 PRO A 92 7.080 8.278 1.307 1.00 0.00 H new ATOM 0 HD3 PRO A 92 8.382 9.441 1.454 1.00 0.00 H new ATOM 1460 N SER A 93 5.900 8.112 -2.071 1.00 0.00 N ATOM 1461 CA SER A 93 4.964 7.377 -2.914 1.00 0.00 C ATOM 1462 C SER A 93 4.648 8.160 -4.185 1.00 0.00 C ATOM 1463 O SER A 93 4.520 9.384 -4.158 1.00 0.00 O ATOM 1464 CB SER A 93 3.673 7.086 -2.146 1.00 0.00 C ATOM 1465 OG SER A 93 3.003 8.286 -1.802 1.00 0.00 O ATOM 0 H SER A 93 5.734 8.011 -1.070 1.00 0.00 H new ATOM 0 HA SER A 93 5.431 6.433 -3.196 1.00 0.00 H new ATOM 0 HB2 SER A 93 3.018 6.461 -2.753 1.00 0.00 H new ATOM 0 HB3 SER A 93 3.903 6.522 -1.242 1.00 0.00 H new ATOM 0 HG SER A 93 2.180 8.073 -1.314 1.00 0.00 H new ATOM 1471 N SER A 94 4.523 7.444 -5.298 1.00 0.00 N ATOM 1472 CA SER A 94 4.225 8.070 -6.580 1.00 0.00 C ATOM 1473 C SER A 94 2.909 7.547 -7.148 1.00 0.00 C ATOM 1474 O SER A 94 2.526 6.403 -6.906 1.00 0.00 O ATOM 1475 CB SER A 94 5.360 7.812 -7.573 1.00 0.00 C ATOM 1476 OG SER A 94 5.339 6.472 -8.034 1.00 0.00 O ATOM 0 H SER A 94 4.624 6.430 -5.337 1.00 0.00 H new ATOM 0 HA SER A 94 4.129 9.144 -6.418 1.00 0.00 H new ATOM 0 HB2 SER A 94 5.269 8.493 -8.419 1.00 0.00 H new ATOM 0 HB3 SER A 94 6.318 8.021 -7.097 1.00 0.00 H new ATOM 0 HG SER A 94 6.073 6.333 -8.668 1.00 0.00 H new ATOM 1482 N GLY A 95 2.219 8.396 -7.905 1.00 0.00 N ATOM 1483 CA GLY A 95 0.953 8.003 -8.495 1.00 0.00 C ATOM 1484 C GLY A 95 -0.110 7.721 -7.452 1.00 0.00 C ATOM 1485 O GLY A 95 0.166 7.744 -6.253 1.00 0.00 O ATOM 0 H GLY A 95 2.515 9.348 -8.120 1.00 0.00 H new ATOM 0 HA2 GLY A 95 0.605 8.793 -9.160 1.00 0.00 H new ATOM 0 HA3 GLY A 95 1.102 7.114 -9.108 1.00 0.00 H new TER 1489 GLY A 95