USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 573 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 72 SER OG : rot 29:sc= 0.679 USER MOD Set 1.2: A 76 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 54 ASN : amide:sc= -5.33! C(o=-5.3!,f=-17!) USER MOD Set 2.2: A 58 GLN : amide:sc= 0 K(o=-5.3,f=-6.7) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 23:sc= 1.06 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0707 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.0852 K(o=-0.085,f=-1.5!) USER MOD Single : A 12 TYR OH : rot 180:sc= -0.0244 USER MOD Single : A 15 THR OG1 : rot 180:sc=-0.00833 USER MOD Single : A 16 CYS SG : rot 12:sc= -2.1! USER MOD Single : A 17 LYS NZ :NH3+ -156:sc= -0.0882 (180deg=-0.427) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= -0.0913 USER MOD Single : A 23 LYS NZ :NH3+ -163:sc= -0.0184 (180deg=-0.185) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.495 K(o=-0.5,f=-1.6) USER MOD Single : A 31 THR OG1 : rot 180:sc= -1.27 USER MOD Single : A 35 HIS : no HD1:sc= -6.49! C(o=-6.5!,f=-6.9!) USER MOD Single : A 46 MET CE :methyl 165:sc= -0.0186 (180deg=-0.302) USER MOD Single : A 51 LYS NZ :NH3+ -164:sc= -0.923! (180deg=-2.41!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 180:sc= -0.488 USER MOD Single : A 65 LYS NZ :NH3+ -152:sc= -0.215 (180deg=-1.52) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -1.09 K(o=-1.1,f=-4.1!) USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.0787 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 27:sc= 0.118 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.296 -19.525 -13.778 1.00 0.00 N ATOM 2 CA GLY A 1 16.356 -20.409 -14.443 1.00 0.00 C ATOM 3 C GLY A 1 15.328 -19.652 -15.260 1.00 0.00 C ATOM 4 O GLY A 1 15.673 -18.748 -16.021 1.00 0.00 O ATOM 0 H1 GLY A 1 17.978 -20.090 -13.233 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.804 -18.960 -14.489 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.781 -18.890 -13.135 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.902 -21.092 -15.094 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.846 -21.019 -13.698 1.00 0.00 H new ATOM 8 N SER A 2 14.061 -20.023 -15.104 1.00 0.00 N ATOM 9 CA SER A 2 12.979 -19.376 -15.837 1.00 0.00 C ATOM 10 C SER A 2 11.874 -18.923 -14.888 1.00 0.00 C ATOM 11 O SER A 2 11.556 -19.608 -13.916 1.00 0.00 O ATOM 12 CB SER A 2 12.406 -20.330 -16.888 1.00 0.00 C ATOM 13 OG SER A 2 11.977 -21.543 -16.295 1.00 0.00 O ATOM 0 H SER A 2 13.759 -20.768 -14.477 1.00 0.00 H new ATOM 0 HA SER A 2 13.386 -18.497 -16.337 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.568 -19.854 -17.397 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.162 -20.539 -17.645 1.00 0.00 H new ATOM 0 HG SER A 2 11.614 -22.135 -16.987 1.00 0.00 H new ATOM 19 N SER A 3 11.292 -17.764 -15.178 1.00 0.00 N ATOM 20 CA SER A 3 10.225 -17.216 -14.349 1.00 0.00 C ATOM 21 C SER A 3 8.856 -17.582 -14.915 1.00 0.00 C ATOM 22 O SER A 3 8.750 -18.117 -16.018 1.00 0.00 O ATOM 23 CB SER A 3 10.358 -15.695 -14.249 1.00 0.00 C ATOM 24 OG SER A 3 10.358 -15.098 -15.534 1.00 0.00 O ATOM 0 H SER A 3 11.541 -17.186 -15.981 1.00 0.00 H new ATOM 0 HA SER A 3 10.314 -17.648 -13.352 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.535 -15.293 -13.658 1.00 0.00 H new ATOM 0 HB3 SER A 3 11.280 -15.441 -13.726 1.00 0.00 H new ATOM 0 HG SER A 3 10.442 -14.126 -15.443 1.00 0.00 H new ATOM 30 N GLY A 4 7.808 -17.289 -14.149 1.00 0.00 N ATOM 31 CA GLY A 4 6.460 -17.594 -14.589 1.00 0.00 C ATOM 32 C GLY A 4 5.507 -16.432 -14.387 1.00 0.00 C ATOM 33 O GLY A 4 5.933 -15.317 -14.088 1.00 0.00 O ATOM 0 H GLY A 4 7.870 -16.846 -13.232 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.478 -17.866 -15.644 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.091 -18.462 -14.043 1.00 0.00 H new ATOM 37 N SER A 5 4.215 -16.692 -14.553 1.00 0.00 N ATOM 38 CA SER A 5 3.200 -15.658 -14.393 1.00 0.00 C ATOM 39 C SER A 5 2.110 -16.111 -13.426 1.00 0.00 C ATOM 40 O SER A 5 1.323 -17.006 -13.736 1.00 0.00 O ATOM 41 CB SER A 5 2.582 -15.306 -15.747 1.00 0.00 C ATOM 42 OG SER A 5 1.827 -16.389 -16.261 1.00 0.00 O ATOM 0 H SER A 5 3.846 -17.611 -14.798 1.00 0.00 H new ATOM 0 HA SER A 5 3.682 -14.772 -13.980 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.942 -14.430 -15.641 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.370 -15.041 -16.452 1.00 0.00 H new ATOM 0 HG SER A 5 1.552 -16.975 -15.525 1.00 0.00 H new ATOM 48 N SER A 6 2.070 -15.487 -12.254 1.00 0.00 N ATOM 49 CA SER A 6 1.080 -15.828 -11.239 1.00 0.00 C ATOM 50 C SER A 6 -0.335 -15.684 -11.791 1.00 0.00 C ATOM 51 O SER A 6 -1.139 -16.613 -11.721 1.00 0.00 O ATOM 52 CB SER A 6 1.252 -14.936 -10.008 1.00 0.00 C ATOM 53 OG SER A 6 1.215 -13.564 -10.362 1.00 0.00 O ATOM 0 H SER A 6 2.712 -14.742 -11.983 1.00 0.00 H new ATOM 0 HA SER A 6 1.235 -16.867 -10.950 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.463 -15.150 -9.287 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.200 -15.163 -9.520 1.00 0.00 H new ATOM 0 HG SER A 6 1.325 -13.015 -9.557 1.00 0.00 H new ATOM 59 N GLY A 7 -0.633 -14.510 -12.341 1.00 0.00 N ATOM 60 CA GLY A 7 -1.951 -14.264 -12.897 1.00 0.00 C ATOM 61 C GLY A 7 -2.015 -12.972 -13.687 1.00 0.00 C ATOM 62 O GLY A 7 -2.577 -12.932 -14.782 1.00 0.00 O ATOM 0 H GLY A 7 0.015 -13.725 -12.411 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.230 -15.096 -13.544 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.682 -14.229 -12.089 1.00 0.00 H new ATOM 66 N THR A 8 -1.438 -11.911 -13.131 1.00 0.00 N ATOM 67 CA THR A 8 -1.434 -10.611 -13.790 1.00 0.00 C ATOM 68 C THR A 8 -0.079 -9.927 -13.648 1.00 0.00 C ATOM 69 O THR A 8 0.780 -10.379 -12.890 1.00 0.00 O ATOM 70 CB THR A 8 -2.525 -9.688 -13.216 1.00 0.00 C ATOM 71 OG1 THR A 8 -2.310 -9.487 -11.815 1.00 0.00 O ATOM 72 CG2 THR A 8 -3.908 -10.279 -13.443 1.00 0.00 C ATOM 0 H THR A 8 -0.968 -11.927 -12.226 1.00 0.00 H new ATOM 0 HA THR A 8 -1.638 -10.790 -14.846 1.00 0.00 H new ATOM 0 HB THR A 8 -2.468 -8.730 -13.732 1.00 0.00 H new ATOM 0 HG1 THR A 8 -3.007 -8.898 -11.458 1.00 0.00 H new ATOM 0 HG21 THR A 8 -4.662 -9.610 -13.029 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.080 -10.403 -14.512 1.00 0.00 H new ATOM 0 HG23 THR A 8 -3.974 -11.249 -12.950 1.00 0.00 H new ATOM 80 N LEU A 9 0.106 -8.834 -14.381 1.00 0.00 N ATOM 81 CA LEU A 9 1.358 -8.086 -14.336 1.00 0.00 C ATOM 82 C LEU A 9 1.118 -6.651 -13.879 1.00 0.00 C ATOM 83 O LEU A 9 0.525 -5.850 -14.602 1.00 0.00 O ATOM 84 CB LEU A 9 2.027 -8.091 -15.712 1.00 0.00 C ATOM 85 CG LEU A 9 2.617 -9.426 -16.167 1.00 0.00 C ATOM 86 CD1 LEU A 9 1.571 -10.249 -16.903 1.00 0.00 C ATOM 87 CD2 LEU A 9 3.836 -9.197 -17.049 1.00 0.00 C ATOM 0 H LEU A 9 -0.594 -8.446 -15.013 1.00 0.00 H new ATOM 0 HA LEU A 9 2.018 -8.571 -13.617 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.293 -7.770 -16.452 1.00 0.00 H new ATOM 0 HB3 LEU A 9 2.823 -7.347 -15.709 1.00 0.00 H new ATOM 0 HG LEU A 9 2.931 -9.982 -15.284 1.00 0.00 H new ATOM 0 HD11 LEU A 9 2.009 -11.196 -17.219 1.00 0.00 H new ATOM 0 HD12 LEU A 9 0.728 -10.443 -16.240 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.225 -9.699 -17.778 1.00 0.00 H new ATOM 0 HD21 LEU A 9 4.243 -10.158 -17.364 1.00 0.00 H new ATOM 0 HD22 LEU A 9 3.546 -8.620 -17.927 1.00 0.00 H new ATOM 0 HD23 LEU A 9 4.593 -8.648 -16.488 1.00 0.00 H new ATOM 99 N ARG A 10 1.585 -6.333 -12.676 1.00 0.00 N ATOM 100 CA ARG A 10 1.423 -4.993 -12.123 1.00 0.00 C ATOM 101 C ARG A 10 2.406 -4.018 -12.763 1.00 0.00 C ATOM 102 O ARG A 10 3.453 -4.420 -13.271 1.00 0.00 O ATOM 103 CB ARG A 10 1.624 -5.017 -10.607 1.00 0.00 C ATOM 104 CG ARG A 10 0.495 -5.699 -9.853 1.00 0.00 C ATOM 105 CD ARG A 10 -0.596 -4.711 -9.470 1.00 0.00 C ATOM 106 NE ARG A 10 -1.555 -4.508 -10.552 1.00 0.00 N ATOM 107 CZ ARG A 10 -2.779 -4.027 -10.368 1.00 0.00 C ATOM 108 NH1 ARG A 10 -3.192 -3.702 -9.150 1.00 0.00 N ATOM 109 NH2 ARG A 10 -3.595 -3.870 -11.403 1.00 0.00 N ATOM 0 H ARG A 10 2.078 -6.984 -12.066 1.00 0.00 H new ATOM 0 HA ARG A 10 0.410 -4.656 -12.343 1.00 0.00 H new ATOM 0 HB2 ARG A 10 2.560 -5.527 -10.381 1.00 0.00 H new ATOM 0 HB3 ARG A 10 1.724 -3.993 -10.246 1.00 0.00 H new ATOM 0 HG2 ARG A 10 0.070 -6.491 -10.470 1.00 0.00 H new ATOM 0 HG3 ARG A 10 0.890 -6.173 -8.954 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -1.119 -5.074 -8.585 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -0.143 -3.756 -9.203 1.00 0.00 H new ATOM 0 HE ARG A 10 -1.269 -4.749 -11.501 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -2.569 -3.821 -8.351 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -4.133 -3.333 -9.012 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -3.282 -4.119 -12.341 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -4.535 -3.500 -11.260 1.00 0.00 H new ATOM 123 N ASN A 11 2.062 -2.735 -12.735 1.00 0.00 N ATOM 124 CA ASN A 11 2.914 -1.702 -13.313 1.00 0.00 C ATOM 125 C ASN A 11 3.477 -0.790 -12.227 1.00 0.00 C ATOM 126 O ASN A 11 3.297 0.427 -12.269 1.00 0.00 O ATOM 127 CB ASN A 11 2.128 -0.874 -14.332 1.00 0.00 C ATOM 128 CG ASN A 11 2.048 -1.551 -15.688 1.00 0.00 C ATOM 129 OD1 ASN A 11 2.945 -2.300 -16.073 1.00 0.00 O ATOM 130 ND2 ASN A 11 0.970 -1.287 -16.417 1.00 0.00 N ATOM 0 H ASN A 11 1.199 -2.385 -12.318 1.00 0.00 H new ATOM 0 HA ASN A 11 3.746 -2.193 -13.818 1.00 0.00 H new ATOM 0 HB2 ASN A 11 1.120 -0.701 -13.955 1.00 0.00 H new ATOM 0 HB3 ASN A 11 2.599 0.103 -14.444 1.00 0.00 H new ATOM 0 HD21 ASN A 11 0.860 -1.712 -17.338 1.00 0.00 H new ATOM 0 HD22 ASN A 11 0.252 -0.659 -16.056 1.00 0.00 H new ATOM 137 N TYR A 12 4.160 -1.387 -11.257 1.00 0.00 N ATOM 138 CA TYR A 12 4.748 -0.630 -10.158 1.00 0.00 C ATOM 139 C TYR A 12 5.883 0.260 -10.656 1.00 0.00 C ATOM 140 O TYR A 12 6.522 -0.015 -11.672 1.00 0.00 O ATOM 141 CB TYR A 12 5.266 -1.579 -9.077 1.00 0.00 C ATOM 142 CG TYR A 12 4.168 -2.274 -8.304 1.00 0.00 C ATOM 143 CD1 TYR A 12 3.049 -1.575 -7.868 1.00 0.00 C ATOM 144 CD2 TYR A 12 4.250 -3.629 -8.009 1.00 0.00 C ATOM 145 CE1 TYR A 12 2.043 -2.206 -7.161 1.00 0.00 C ATOM 146 CE2 TYR A 12 3.248 -4.268 -7.304 1.00 0.00 C ATOM 147 CZ TYR A 12 2.148 -3.552 -6.882 1.00 0.00 C ATOM 148 OH TYR A 12 1.148 -4.184 -6.179 1.00 0.00 O ATOM 0 H TYR A 12 4.320 -2.393 -11.209 1.00 0.00 H new ATOM 0 HA TYR A 12 3.972 0.006 -9.732 1.00 0.00 H new ATOM 0 HB2 TYR A 12 5.904 -2.331 -9.541 1.00 0.00 H new ATOM 0 HB3 TYR A 12 5.889 -1.018 -8.381 1.00 0.00 H new ATOM 0 HD1 TYR A 12 2.964 -0.521 -8.085 1.00 0.00 H new ATOM 0 HD2 TYR A 12 5.111 -4.192 -8.336 1.00 0.00 H new ATOM 0 HE1 TYR A 12 1.180 -1.648 -6.829 1.00 0.00 H new ATOM 0 HE2 TYR A 12 3.326 -5.323 -7.085 1.00 0.00 H new ATOM 0 HH TYR A 12 1.375 -5.131 -6.067 1.00 0.00 H new ATOM 158 N PRO A 13 6.140 1.354 -9.924 1.00 0.00 N ATOM 159 CA PRO A 13 5.385 1.693 -8.714 1.00 0.00 C ATOM 160 C PRO A 13 3.953 2.117 -9.024 1.00 0.00 C ATOM 161 O PRO A 13 3.610 2.385 -10.176 1.00 0.00 O ATOM 162 CB PRO A 13 6.173 2.863 -8.120 1.00 0.00 C ATOM 163 CG PRO A 13 6.873 3.477 -9.283 1.00 0.00 C ATOM 164 CD PRO A 13 7.187 2.346 -10.222 1.00 0.00 C ATOM 0 HA PRO A 13 5.289 0.841 -8.041 1.00 0.00 H new ATOM 0 HB2 PRO A 13 5.511 3.579 -7.633 1.00 0.00 H new ATOM 0 HB3 PRO A 13 6.882 2.521 -7.367 1.00 0.00 H new ATOM 0 HG2 PRO A 13 6.243 4.223 -9.768 1.00 0.00 H new ATOM 0 HG3 PRO A 13 7.784 3.985 -8.966 1.00 0.00 H new ATOM 0 HD2 PRO A 13 7.152 2.667 -11.263 1.00 0.00 H new ATOM 0 HD3 PRO A 13 8.184 1.943 -10.046 1.00 0.00 H new ATOM 172 N LEU A 14 3.122 2.176 -7.989 1.00 0.00 N ATOM 173 CA LEU A 14 1.726 2.568 -8.151 1.00 0.00 C ATOM 174 C LEU A 14 1.229 3.329 -6.925 1.00 0.00 C ATOM 175 O LEU A 14 1.149 2.776 -5.828 1.00 0.00 O ATOM 176 CB LEU A 14 0.853 1.335 -8.388 1.00 0.00 C ATOM 177 CG LEU A 14 1.011 0.653 -9.747 1.00 0.00 C ATOM 178 CD1 LEU A 14 0.391 -0.736 -9.723 1.00 0.00 C ATOM 179 CD2 LEU A 14 0.384 1.500 -10.845 1.00 0.00 C ATOM 0 H LEU A 14 3.390 1.958 -7.029 1.00 0.00 H new ATOM 0 HA LEU A 14 1.657 3.226 -9.018 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.072 0.604 -7.609 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.191 1.625 -8.268 1.00 0.00 H new ATOM 0 HG LEU A 14 2.075 0.550 -9.958 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.513 -1.206 -10.699 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.886 -1.342 -8.964 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.671 -0.657 -9.489 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.506 0.999 -11.805 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.678 1.635 -10.639 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.874 2.473 -10.879 1.00 0.00 H new ATOM 191 N THR A 15 0.894 4.601 -7.120 1.00 0.00 N ATOM 192 CA THR A 15 0.403 5.437 -6.032 1.00 0.00 C ATOM 193 C THR A 15 -1.010 5.036 -5.625 1.00 0.00 C ATOM 194 O THR A 15 -1.898 4.911 -6.470 1.00 0.00 O ATOM 195 CB THR A 15 0.410 6.927 -6.422 1.00 0.00 C ATOM 196 OG1 THR A 15 1.504 7.197 -7.306 1.00 0.00 O ATOM 197 CG2 THR A 15 0.519 7.809 -5.188 1.00 0.00 C ATOM 0 H THR A 15 0.954 5.074 -8.022 1.00 0.00 H new ATOM 0 HA THR A 15 1.077 5.287 -5.189 1.00 0.00 H new ATOM 0 HB THR A 15 -0.529 7.152 -6.928 1.00 0.00 H new ATOM 0 HG1 THR A 15 1.501 8.146 -7.550 1.00 0.00 H new ATOM 0 HG21 THR A 15 0.522 8.857 -5.489 1.00 0.00 H new ATOM 0 HG22 THR A 15 -0.331 7.622 -4.531 1.00 0.00 H new ATOM 0 HG23 THR A 15 1.444 7.581 -4.658 1.00 0.00 H new ATOM 205 N CYS A 16 -1.213 4.837 -4.328 1.00 0.00 N ATOM 206 CA CYS A 16 -2.520 4.451 -3.808 1.00 0.00 C ATOM 207 C CYS A 16 -2.973 5.407 -2.709 1.00 0.00 C ATOM 208 O CYS A 16 -2.181 6.191 -2.188 1.00 0.00 O ATOM 209 CB CYS A 16 -2.475 3.020 -3.270 1.00 0.00 C ATOM 210 SG CYS A 16 -1.006 2.648 -2.284 1.00 0.00 S ATOM 0 H CYS A 16 -0.489 4.937 -3.616 1.00 0.00 H new ATOM 0 HA CYS A 16 -3.238 4.502 -4.626 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.362 2.844 -2.661 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.521 2.326 -4.109 1.00 0.00 H new ATOM 0 HG CYS A 16 -0.377 3.752 -2.008 1.00 0.00 H new ATOM 216 N LYS A 17 -4.254 5.336 -2.363 1.00 0.00 N ATOM 217 CA LYS A 17 -4.814 6.195 -1.326 1.00 0.00 C ATOM 218 C LYS A 17 -5.462 5.364 -0.223 1.00 0.00 C ATOM 219 O LYS A 17 -6.241 4.451 -0.496 1.00 0.00 O ATOM 220 CB LYS A 17 -5.845 7.152 -1.930 1.00 0.00 C ATOM 221 CG LYS A 17 -6.411 8.145 -0.930 1.00 0.00 C ATOM 222 CD LYS A 17 -6.826 9.441 -1.605 1.00 0.00 C ATOM 223 CE LYS A 17 -7.952 10.129 -0.848 1.00 0.00 C ATOM 224 NZ LYS A 17 -9.220 9.352 -0.912 1.00 0.00 N ATOM 0 H LYS A 17 -4.924 4.693 -2.785 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.000 6.775 -0.890 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.383 7.700 -2.751 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.663 6.570 -2.355 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -7.271 7.705 -0.426 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.665 8.356 -0.163 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.968 10.110 -1.669 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -7.146 9.234 -2.626 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.660 10.263 0.194 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -8.114 11.123 -1.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -10.027 9.991 -0.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -9.304 8.901 -1.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -9.217 8.621 -0.173 1.00 0.00 H new ATOM 238 N VAL A 18 -5.136 5.688 1.025 1.00 0.00 N ATOM 239 CA VAL A 18 -5.688 4.973 2.169 1.00 0.00 C ATOM 240 C VAL A 18 -7.117 5.419 2.459 1.00 0.00 C ATOM 241 O VAL A 18 -7.342 6.481 3.041 1.00 0.00 O ATOM 242 CB VAL A 18 -4.831 5.186 3.431 1.00 0.00 C ATOM 243 CG1 VAL A 18 -5.475 4.515 4.634 1.00 0.00 C ATOM 244 CG2 VAL A 18 -3.420 4.662 3.210 1.00 0.00 C ATOM 0 H VAL A 18 -4.493 6.441 1.269 1.00 0.00 H new ATOM 0 HA VAL A 18 -5.686 3.914 1.911 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.770 6.256 3.632 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.855 4.676 5.516 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.464 4.942 4.803 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.568 3.445 4.447 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.828 4.820 4.111 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -3.459 3.596 2.984 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.961 5.193 2.376 1.00 0.00 H new ATOM 254 N VAL A 19 -8.081 4.601 2.048 1.00 0.00 N ATOM 255 CA VAL A 19 -9.490 4.910 2.264 1.00 0.00 C ATOM 256 C VAL A 19 -9.942 4.470 3.652 1.00 0.00 C ATOM 257 O VAL A 19 -10.920 4.989 4.191 1.00 0.00 O ATOM 258 CB VAL A 19 -10.382 4.233 1.207 1.00 0.00 C ATOM 259 CG1 VAL A 19 -10.370 5.029 -0.090 1.00 0.00 C ATOM 260 CG2 VAL A 19 -9.929 2.801 0.967 1.00 0.00 C ATOM 0 H VAL A 19 -7.912 3.719 1.564 1.00 0.00 H new ATOM 0 HA VAL A 19 -9.594 5.992 2.177 1.00 0.00 H new ATOM 0 HB VAL A 19 -11.405 4.208 1.581 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -11.006 4.536 -0.825 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -10.745 6.035 0.097 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -9.351 5.087 -0.472 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -10.570 2.337 0.217 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -8.898 2.800 0.613 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -9.994 2.238 1.898 1.00 0.00 H new ATOM 270 N TYR A 20 -9.224 3.511 4.225 1.00 0.00 N ATOM 271 CA TYR A 20 -9.553 2.999 5.550 1.00 0.00 C ATOM 272 C TYR A 20 -8.295 2.834 6.398 1.00 0.00 C ATOM 273 O TYR A 20 -7.411 2.042 6.070 1.00 0.00 O ATOM 274 CB TYR A 20 -10.283 1.660 5.436 1.00 0.00 C ATOM 275 CG TYR A 20 -11.741 1.795 5.058 1.00 0.00 C ATOM 276 CD1 TYR A 20 -12.134 1.824 3.726 1.00 0.00 C ATOM 277 CD2 TYR A 20 -12.725 1.894 6.034 1.00 0.00 C ATOM 278 CE1 TYR A 20 -13.465 1.949 3.377 1.00 0.00 C ATOM 279 CE2 TYR A 20 -14.059 2.018 5.694 1.00 0.00 C ATOM 280 CZ TYR A 20 -14.423 2.045 4.364 1.00 0.00 C ATOM 281 OH TYR A 20 -15.750 2.168 4.020 1.00 0.00 O ATOM 0 H TYR A 20 -8.411 3.072 3.793 1.00 0.00 H new ATOM 0 HA TYR A 20 -10.207 3.721 6.038 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -9.779 1.043 4.692 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -10.210 1.134 6.388 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -11.387 1.748 2.950 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -12.443 1.874 7.076 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -13.754 1.971 2.336 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -14.812 2.093 6.465 1.00 0.00 H new ATOM 0 HH TYR A 20 -16.295 2.223 4.833 1.00 0.00 H new ATOM 291 N SER A 21 -8.222 3.587 7.490 1.00 0.00 N ATOM 292 CA SER A 21 -7.072 3.529 8.385 1.00 0.00 C ATOM 293 C SER A 21 -6.880 2.116 8.929 1.00 0.00 C ATOM 294 O SER A 21 -7.846 1.387 9.150 1.00 0.00 O ATOM 295 CB SER A 21 -7.248 4.514 9.542 1.00 0.00 C ATOM 296 OG SER A 21 -8.289 4.101 10.409 1.00 0.00 O ATOM 0 H SER A 21 -8.946 4.245 7.777 1.00 0.00 H new ATOM 0 HA SER A 21 -6.185 3.805 7.816 1.00 0.00 H new ATOM 0 HB2 SER A 21 -6.315 4.594 10.101 1.00 0.00 H new ATOM 0 HB3 SER A 21 -7.470 5.506 9.149 1.00 0.00 H new ATOM 0 HG SER A 21 -8.380 4.746 11.141 1.00 0.00 H new ATOM 302 N TYR A 22 -5.624 1.738 9.145 1.00 0.00 N ATOM 303 CA TYR A 22 -5.303 0.413 9.661 1.00 0.00 C ATOM 304 C TYR A 22 -4.086 0.467 10.579 1.00 0.00 C ATOM 305 O TYR A 22 -2.987 0.824 10.153 1.00 0.00 O ATOM 306 CB TYR A 22 -5.044 -0.558 8.508 1.00 0.00 C ATOM 307 CG TYR A 22 -4.619 -1.936 8.961 1.00 0.00 C ATOM 308 CD1 TYR A 22 -5.559 -2.927 9.212 1.00 0.00 C ATOM 309 CD2 TYR A 22 -3.276 -2.247 9.137 1.00 0.00 C ATOM 310 CE1 TYR A 22 -5.175 -4.188 9.627 1.00 0.00 C ATOM 311 CE2 TYR A 22 -2.883 -3.506 9.550 1.00 0.00 C ATOM 312 CZ TYR A 22 -3.836 -4.472 9.794 1.00 0.00 C ATOM 313 OH TYR A 22 -3.449 -5.727 10.206 1.00 0.00 O ATOM 0 H TYR A 22 -4.812 2.331 8.971 1.00 0.00 H new ATOM 0 HA TYR A 22 -6.157 0.059 10.239 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -5.949 -0.645 7.907 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -4.271 -0.143 7.861 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -6.608 -2.708 9.081 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -2.527 -1.492 8.948 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -5.919 -4.947 9.819 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -1.835 -3.732 9.681 1.00 0.00 H new ATOM 0 HH TYR A 22 -2.472 -5.762 10.273 1.00 0.00 H new ATOM 323 N LYS A 23 -4.289 0.108 11.842 1.00 0.00 N ATOM 324 CA LYS A 23 -3.210 0.113 12.823 1.00 0.00 C ATOM 325 C LYS A 23 -2.358 -1.147 12.699 1.00 0.00 C ATOM 326 O LYS A 23 -2.875 -2.263 12.738 1.00 0.00 O ATOM 327 CB LYS A 23 -3.780 0.219 14.239 1.00 0.00 C ATOM 328 CG LYS A 23 -3.943 1.649 14.723 1.00 0.00 C ATOM 329 CD LYS A 23 -2.603 2.279 15.064 1.00 0.00 C ATOM 330 CE LYS A 23 -2.141 1.884 16.458 1.00 0.00 C ATOM 331 NZ LYS A 23 -2.948 2.546 17.519 1.00 0.00 N ATOM 0 H LYS A 23 -5.192 -0.190 12.211 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.578 0.979 12.627 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.749 -0.279 14.270 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.125 -0.316 14.926 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.439 2.240 13.953 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.588 1.665 15.602 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.857 1.970 14.331 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -2.683 3.364 15.000 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -2.211 0.802 16.571 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.091 2.150 16.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.442 2.491 18.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -3.100 3.544 17.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -3.867 2.067 17.606 1.00 0.00 H new ATOM 345 N ALA A 24 -1.051 -0.959 12.552 1.00 0.00 N ATOM 346 CA ALA A 24 -0.127 -2.080 12.427 1.00 0.00 C ATOM 347 C ALA A 24 0.193 -2.683 13.791 1.00 0.00 C ATOM 348 O ALA A 24 0.776 -2.022 14.650 1.00 0.00 O ATOM 349 CB ALA A 24 1.151 -1.636 11.731 1.00 0.00 C ATOM 0 H ALA A 24 -0.608 -0.041 12.517 1.00 0.00 H new ATOM 0 HA ALA A 24 -0.608 -2.849 11.823 1.00 0.00 H new ATOM 0 HB1 ALA A 24 1.831 -2.483 11.645 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.912 -1.260 10.736 1.00 0.00 H new ATOM 0 HB3 ALA A 24 1.627 -0.846 12.313 1.00 0.00 H new ATOM 355 N SER A 25 -0.194 -3.940 13.983 1.00 0.00 N ATOM 356 CA SER A 25 0.048 -4.630 15.245 1.00 0.00 C ATOM 357 C SER A 25 1.429 -5.279 15.253 1.00 0.00 C ATOM 358 O SER A 25 2.071 -5.382 16.298 1.00 0.00 O ATOM 359 CB SER A 25 -1.028 -5.690 15.485 1.00 0.00 C ATOM 360 OG SER A 25 -1.063 -6.630 14.426 1.00 0.00 O ATOM 0 H SER A 25 -0.676 -4.501 13.281 1.00 0.00 H new ATOM 0 HA SER A 25 0.007 -3.893 16.047 1.00 0.00 H new ATOM 0 HB2 SER A 25 -0.832 -6.205 16.426 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.002 -5.209 15.581 1.00 0.00 H new ATOM 0 HG SER A 25 -1.758 -7.298 14.604 1.00 0.00 H new ATOM 366 N GLN A 26 1.878 -5.714 14.080 1.00 0.00 N ATOM 367 CA GLN A 26 3.182 -6.354 13.952 1.00 0.00 C ATOM 368 C GLN A 26 4.229 -5.362 13.457 1.00 0.00 C ATOM 369 O GLN A 26 3.915 -4.362 12.811 1.00 0.00 O ATOM 370 CB GLN A 26 3.097 -7.544 12.995 1.00 0.00 C ATOM 371 CG GLN A 26 2.516 -8.797 13.631 1.00 0.00 C ATOM 372 CD GLN A 26 3.469 -9.448 14.614 1.00 0.00 C ATOM 373 OE1 GLN A 26 3.631 -8.981 15.742 1.00 0.00 O ATOM 374 NE2 GLN A 26 4.106 -10.533 14.190 1.00 0.00 N ATOM 0 H GLN A 26 1.359 -5.635 13.206 1.00 0.00 H new ATOM 0 HA GLN A 26 3.483 -6.710 14.937 1.00 0.00 H new ATOM 0 HB2 GLN A 26 2.486 -7.266 12.136 1.00 0.00 H new ATOM 0 HB3 GLN A 26 4.095 -7.768 12.617 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.588 -8.543 14.144 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.262 -9.512 12.849 1.00 0.00 H new ATOM 0 HE21 GLN A 26 3.941 -10.885 13.247 1.00 0.00 H new ATOM 0 HE22 GLN A 26 4.760 -11.014 14.807 1.00 0.00 H new ATOM 383 N PRO A 27 5.503 -5.643 13.766 1.00 0.00 N ATOM 384 CA PRO A 27 6.623 -4.787 13.362 1.00 0.00 C ATOM 385 C PRO A 27 6.874 -4.832 11.859 1.00 0.00 C ATOM 386 O PRO A 27 7.367 -3.868 11.272 1.00 0.00 O ATOM 387 CB PRO A 27 7.813 -5.378 14.121 1.00 0.00 C ATOM 388 CG PRO A 27 7.443 -6.801 14.357 1.00 0.00 C ATOM 389 CD PRO A 27 5.950 -6.818 14.533 1.00 0.00 C ATOM 0 HA PRO A 27 6.435 -3.737 13.587 1.00 0.00 H new ATOM 0 HB2 PRO A 27 8.732 -5.299 13.540 1.00 0.00 H new ATOM 0 HB3 PRO A 27 7.984 -4.852 15.060 1.00 0.00 H new ATOM 0 HG2 PRO A 27 7.744 -7.427 13.517 1.00 0.00 H new ATOM 0 HG3 PRO A 27 7.945 -7.193 15.242 1.00 0.00 H new ATOM 0 HD2 PRO A 27 5.511 -7.739 14.150 1.00 0.00 H new ATOM 0 HD3 PRO A 27 5.668 -6.743 15.583 1.00 0.00 H new ATOM 397 N ASP A 28 6.533 -5.958 11.240 1.00 0.00 N ATOM 398 CA ASP A 28 6.721 -6.128 9.804 1.00 0.00 C ATOM 399 C ASP A 28 5.643 -5.382 9.023 1.00 0.00 C ATOM 400 O ASP A 28 5.765 -5.183 7.815 1.00 0.00 O ATOM 401 CB ASP A 28 6.698 -7.613 9.438 1.00 0.00 C ATOM 402 CG ASP A 28 5.307 -8.209 9.526 1.00 0.00 C ATOM 403 OD1 ASP A 28 4.501 -7.719 10.345 1.00 0.00 O ATOM 404 OD2 ASP A 28 5.023 -9.166 8.775 1.00 0.00 O ATOM 0 H ASP A 28 6.125 -6.766 11.711 1.00 0.00 H new ATOM 0 HA ASP A 28 7.692 -5.711 9.537 1.00 0.00 H new ATOM 0 HB2 ASP A 28 7.082 -7.741 8.426 1.00 0.00 H new ATOM 0 HB3 ASP A 28 7.367 -8.159 10.104 1.00 0.00 H new ATOM 409 N GLU A 29 4.589 -4.973 9.722 1.00 0.00 N ATOM 410 CA GLU A 29 3.490 -4.251 9.092 1.00 0.00 C ATOM 411 C GLU A 29 3.811 -2.763 8.978 1.00 0.00 C ATOM 412 O GLU A 29 4.829 -2.295 9.488 1.00 0.00 O ATOM 413 CB GLU A 29 2.199 -4.445 9.891 1.00 0.00 C ATOM 414 CG GLU A 29 1.384 -5.649 9.447 1.00 0.00 C ATOM 415 CD GLU A 29 2.219 -6.910 9.336 1.00 0.00 C ATOM 416 OE1 GLU A 29 3.149 -6.933 8.503 1.00 0.00 O ATOM 417 OE2 GLU A 29 1.943 -7.872 10.082 1.00 0.00 O ATOM 0 H GLU A 29 4.473 -5.129 10.723 1.00 0.00 H new ATOM 0 HA GLU A 29 3.352 -4.654 8.088 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.448 -4.554 10.947 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.586 -3.548 9.799 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.573 -5.816 10.156 1.00 0.00 H new ATOM 0 HG3 GLU A 29 0.924 -5.436 8.482 1.00 0.00 H new ATOM 424 N LEU A 30 2.935 -2.026 8.304 1.00 0.00 N ATOM 425 CA LEU A 30 3.124 -0.591 8.122 1.00 0.00 C ATOM 426 C LEU A 30 1.903 0.185 8.605 1.00 0.00 C ATOM 427 O LEU A 30 0.838 0.136 7.989 1.00 0.00 O ATOM 428 CB LEU A 30 3.393 -0.275 6.649 1.00 0.00 C ATOM 429 CG LEU A 30 4.274 0.943 6.374 1.00 0.00 C ATOM 430 CD1 LEU A 30 3.531 2.227 6.712 1.00 0.00 C ATOM 431 CD2 LEU A 30 5.572 0.853 7.163 1.00 0.00 C ATOM 0 H LEU A 30 2.088 -2.398 7.875 1.00 0.00 H new ATOM 0 HA LEU A 30 3.985 -0.285 8.717 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.860 -1.147 6.191 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.436 -0.126 6.149 1.00 0.00 H new ATOM 0 HG LEU A 30 4.518 0.957 5.312 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.174 3.084 6.510 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.630 2.297 6.102 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.256 2.221 7.767 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.186 1.729 6.954 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.348 0.813 8.229 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.113 -0.047 6.872 1.00 0.00 H new ATOM 443 N THR A 31 2.065 0.905 9.711 1.00 0.00 N ATOM 444 CA THR A 31 0.977 1.693 10.276 1.00 0.00 C ATOM 445 C THR A 31 0.531 2.786 9.312 1.00 0.00 C ATOM 446 O THR A 31 1.254 3.756 9.081 1.00 0.00 O ATOM 447 CB THR A 31 1.387 2.339 11.613 1.00 0.00 C ATOM 448 OG1 THR A 31 1.745 1.325 12.558 1.00 0.00 O ATOM 449 CG2 THR A 31 0.255 3.186 12.175 1.00 0.00 C ATOM 0 H THR A 31 2.940 0.958 10.233 1.00 0.00 H new ATOM 0 HA THR A 31 0.148 1.007 10.451 1.00 0.00 H new ATOM 0 HB THR A 31 2.246 2.984 11.430 1.00 0.00 H new ATOM 0 HG1 THR A 31 2.006 1.744 13.405 1.00 0.00 H new ATOM 0 HG21 THR A 31 0.568 3.632 13.119 1.00 0.00 H new ATOM 0 HG22 THR A 31 0.005 3.976 11.466 1.00 0.00 H new ATOM 0 HG23 THR A 31 -0.620 2.558 12.343 1.00 0.00 H new ATOM 457 N ILE A 32 -0.663 2.624 8.752 1.00 0.00 N ATOM 458 CA ILE A 32 -1.205 3.599 7.814 1.00 0.00 C ATOM 459 C ILE A 32 -2.293 4.445 8.468 1.00 0.00 C ATOM 460 O ILE A 32 -2.668 4.211 9.616 1.00 0.00 O ATOM 461 CB ILE A 32 -1.786 2.914 6.563 1.00 0.00 C ATOM 462 CG1 ILE A 32 -2.943 1.990 6.952 1.00 0.00 C ATOM 463 CG2 ILE A 32 -0.702 2.135 5.834 1.00 0.00 C ATOM 464 CD1 ILE A 32 -3.619 1.337 5.766 1.00 0.00 C ATOM 0 H ILE A 32 -1.273 1.827 8.932 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.378 4.243 7.515 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.169 3.682 5.891 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.569 1.214 7.620 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.682 2.563 7.512 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.128 1.657 4.952 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.093 2.816 5.529 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -0.292 1.373 6.498 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -4.429 0.697 6.116 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -4.023 2.107 5.108 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.893 0.737 5.218 1.00 0.00 H new ATOM 476 N GLU A 33 -2.796 5.428 7.727 1.00 0.00 N ATOM 477 CA GLU A 33 -3.841 6.308 8.236 1.00 0.00 C ATOM 478 C GLU A 33 -4.680 6.873 7.093 1.00 0.00 C ATOM 479 O GLU A 33 -4.157 7.195 6.027 1.00 0.00 O ATOM 480 CB GLU A 33 -3.227 7.451 9.046 1.00 0.00 C ATOM 481 CG GLU A 33 -3.086 7.140 10.527 1.00 0.00 C ATOM 482 CD GLU A 33 -2.603 8.333 11.330 1.00 0.00 C ATOM 483 OE1 GLU A 33 -3.359 9.321 11.438 1.00 0.00 O ATOM 484 OE2 GLU A 33 -1.469 8.277 11.850 1.00 0.00 O ATOM 0 H GLU A 33 -2.497 5.634 6.774 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.490 5.721 8.885 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.244 7.687 8.638 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -3.844 8.342 8.927 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.048 6.809 10.918 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.388 6.313 10.656 1.00 0.00 H new ATOM 491 N GLU A 34 -5.984 6.989 7.324 1.00 0.00 N ATOM 492 CA GLU A 34 -6.895 7.514 6.314 1.00 0.00 C ATOM 493 C GLU A 34 -6.282 8.715 5.600 1.00 0.00 C ATOM 494 O GLU A 34 -5.335 9.329 6.094 1.00 0.00 O ATOM 495 CB GLU A 34 -8.227 7.912 6.953 1.00 0.00 C ATOM 496 CG GLU A 34 -9.259 8.403 5.953 1.00 0.00 C ATOM 497 CD GLU A 34 -10.558 8.822 6.614 1.00 0.00 C ATOM 498 OE1 GLU A 34 -11.107 8.023 7.402 1.00 0.00 O ATOM 499 OE2 GLU A 34 -11.027 9.947 6.343 1.00 0.00 O ATOM 0 H GLU A 34 -6.433 6.727 8.201 1.00 0.00 H new ATOM 0 HA GLU A 34 -7.073 6.728 5.580 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -8.633 7.055 7.490 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -8.047 8.694 7.690 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -8.849 9.247 5.398 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -9.462 7.614 5.229 1.00 0.00 H new ATOM 506 N HIS A 35 -6.827 9.045 4.434 1.00 0.00 N ATOM 507 CA HIS A 35 -6.335 10.172 3.651 1.00 0.00 C ATOM 508 C HIS A 35 -4.810 10.200 3.638 1.00 0.00 C ATOM 509 O HIS A 35 -4.197 11.236 3.893 1.00 0.00 O ATOM 510 CB HIS A 35 -6.876 11.487 4.214 1.00 0.00 C ATOM 511 CG HIS A 35 -7.008 11.489 5.706 1.00 0.00 C ATOM 512 ND1 HIS A 35 -8.202 11.256 6.356 1.00 0.00 N ATOM 513 CD2 HIS A 35 -6.088 11.697 6.676 1.00 0.00 C ATOM 514 CE1 HIS A 35 -8.010 11.322 7.661 1.00 0.00 C ATOM 515 NE2 HIS A 35 -6.735 11.588 7.882 1.00 0.00 N ATOM 0 H HIS A 35 -7.610 8.547 4.010 1.00 0.00 H new ATOM 0 HA HIS A 35 -6.688 10.052 2.627 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -6.215 12.300 3.915 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -7.851 11.689 3.771 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -5.039 11.909 6.529 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -8.767 11.182 8.419 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -6.302 11.695 8.799 1.00 0.00 H new ATOM 524 N GLU A 36 -4.204 9.055 3.341 1.00 0.00 N ATOM 525 CA GLU A 36 -2.750 8.949 3.297 1.00 0.00 C ATOM 526 C GLU A 36 -2.286 8.380 1.959 1.00 0.00 C ATOM 527 O GLU A 36 -2.376 7.176 1.719 1.00 0.00 O ATOM 528 CB GLU A 36 -2.246 8.067 4.441 1.00 0.00 C ATOM 529 CG GLU A 36 -0.740 7.867 4.437 1.00 0.00 C ATOM 530 CD GLU A 36 0.010 9.071 4.971 1.00 0.00 C ATOM 531 OE1 GLU A 36 -0.270 9.484 6.116 1.00 0.00 O ATOM 532 OE2 GLU A 36 0.876 9.602 4.245 1.00 0.00 O ATOM 0 H GLU A 36 -4.697 8.188 3.127 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.335 9.950 3.410 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.542 8.513 5.390 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.733 7.094 4.380 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.492 6.993 5.039 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.408 7.658 3.420 1.00 0.00 H new ATOM 539 N VAL A 37 -1.790 9.256 1.091 1.00 0.00 N ATOM 540 CA VAL A 37 -1.311 8.842 -0.223 1.00 0.00 C ATOM 541 C VAL A 37 0.034 8.132 -0.119 1.00 0.00 C ATOM 542 O VAL A 37 1.039 8.734 0.262 1.00 0.00 O ATOM 543 CB VAL A 37 -1.171 10.045 -1.174 1.00 0.00 C ATOM 544 CG1 VAL A 37 -0.660 9.595 -2.534 1.00 0.00 C ATOM 545 CG2 VAL A 37 -2.500 10.774 -1.309 1.00 0.00 C ATOM 0 H VAL A 37 -1.709 10.256 1.274 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.052 8.153 -0.627 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.443 10.738 -0.751 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.568 10.459 -3.192 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.315 9.121 -2.418 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.361 8.882 -2.968 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.383 11.621 -1.985 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.250 10.092 -1.709 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.820 11.132 -0.330 1.00 0.00 H new ATOM 555 N LEU A 38 0.047 6.848 -0.460 1.00 0.00 N ATOM 556 CA LEU A 38 1.269 6.054 -0.406 1.00 0.00 C ATOM 557 C LEU A 38 1.669 5.574 -1.797 1.00 0.00 C ATOM 558 O LEU A 38 0.943 5.784 -2.768 1.00 0.00 O ATOM 559 CB LEU A 38 1.081 4.855 0.525 1.00 0.00 C ATOM 560 CG LEU A 38 0.464 5.156 1.891 1.00 0.00 C ATOM 561 CD1 LEU A 38 -0.261 3.933 2.430 1.00 0.00 C ATOM 562 CD2 LEU A 38 1.533 5.618 2.870 1.00 0.00 C ATOM 0 H LEU A 38 -0.775 6.335 -0.777 1.00 0.00 H new ATOM 0 HA LEU A 38 2.067 6.687 -0.017 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.453 4.122 0.018 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.053 4.387 0.683 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.262 5.960 1.771 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.694 4.166 3.403 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.054 3.646 1.739 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.444 3.109 2.535 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.075 5.828 3.837 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.283 4.836 2.986 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.008 6.522 2.490 1.00 0.00 H new ATOM 574 N GLU A 39 2.828 4.928 -1.885 1.00 0.00 N ATOM 575 CA GLU A 39 3.322 4.417 -3.158 1.00 0.00 C ATOM 576 C GLU A 39 3.644 2.928 -3.059 1.00 0.00 C ATOM 577 O GLU A 39 4.401 2.502 -2.187 1.00 0.00 O ATOM 578 CB GLU A 39 4.568 5.191 -3.594 1.00 0.00 C ATOM 579 CG GLU A 39 4.841 5.115 -5.086 1.00 0.00 C ATOM 580 CD GLU A 39 4.166 6.230 -5.861 1.00 0.00 C ATOM 581 OE1 GLU A 39 3.772 7.235 -5.233 1.00 0.00 O ATOM 582 OE2 GLU A 39 4.032 6.097 -7.095 1.00 0.00 O ATOM 0 H GLU A 39 3.441 4.746 -1.091 1.00 0.00 H new ATOM 0 HA GLU A 39 2.539 4.553 -3.904 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.455 6.236 -3.307 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.433 4.804 -3.055 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.917 5.158 -5.257 1.00 0.00 H new ATOM 0 HG3 GLU A 39 4.496 4.153 -5.466 1.00 0.00 H new ATOM 589 N VAL A 40 3.062 2.142 -3.959 1.00 0.00 N ATOM 590 CA VAL A 40 3.287 0.702 -3.975 1.00 0.00 C ATOM 591 C VAL A 40 4.497 0.343 -4.830 1.00 0.00 C ATOM 592 O VAL A 40 4.442 0.405 -6.058 1.00 0.00 O ATOM 593 CB VAL A 40 2.054 -0.052 -4.508 1.00 0.00 C ATOM 594 CG1 VAL A 40 2.303 -1.553 -4.504 1.00 0.00 C ATOM 595 CG2 VAL A 40 0.822 0.294 -3.686 1.00 0.00 C ATOM 0 H VAL A 40 2.431 2.478 -4.686 1.00 0.00 H new ATOM 0 HA VAL A 40 3.472 0.399 -2.944 1.00 0.00 H new ATOM 0 HB VAL A 40 1.876 0.260 -5.537 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.421 -2.069 -4.884 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.159 -1.782 -5.139 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.508 -1.885 -3.486 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.040 -0.247 -4.076 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.987 0.012 -2.646 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.634 1.366 -3.745 1.00 0.00 H new ATOM 605 N ILE A 41 5.589 -0.032 -4.172 1.00 0.00 N ATOM 606 CA ILE A 41 6.812 -0.402 -4.872 1.00 0.00 C ATOM 607 C ILE A 41 6.947 -1.917 -4.979 1.00 0.00 C ATOM 608 O ILE A 41 7.437 -2.437 -5.981 1.00 0.00 O ATOM 609 CB ILE A 41 8.058 0.164 -4.166 1.00 0.00 C ATOM 610 CG1 ILE A 41 8.188 -0.426 -2.760 1.00 0.00 C ATOM 611 CG2 ILE A 41 7.988 1.683 -4.104 1.00 0.00 C ATOM 612 CD1 ILE A 41 9.420 0.043 -2.018 1.00 0.00 C ATOM 0 H ILE A 41 5.651 -0.087 -3.155 1.00 0.00 H new ATOM 0 HA ILE A 41 6.745 0.026 -5.872 1.00 0.00 H new ATOM 0 HB ILE A 41 8.941 -0.117 -4.740 1.00 0.00 H new ATOM 0 HG12 ILE A 41 7.303 -0.162 -2.181 1.00 0.00 H new ATOM 0 HG13 ILE A 41 8.209 -1.513 -2.832 1.00 0.00 H new ATOM 0 HG21 ILE A 41 8.876 2.068 -3.602 1.00 0.00 H new ATOM 0 HG22 ILE A 41 7.939 2.087 -5.115 1.00 0.00 H new ATOM 0 HG23 ILE A 41 7.099 1.984 -3.550 1.00 0.00 H new ATOM 0 HD11 ILE A 41 9.446 -0.416 -1.030 1.00 0.00 H new ATOM 0 HD12 ILE A 41 10.312 -0.245 -2.575 1.00 0.00 H new ATOM 0 HD13 ILE A 41 9.391 1.128 -1.914 1.00 0.00 H new ATOM 624 N GLU A 42 6.508 -2.620 -3.940 1.00 0.00 N ATOM 625 CA GLU A 42 6.579 -4.076 -3.919 1.00 0.00 C ATOM 626 C GLU A 42 5.240 -4.681 -3.506 1.00 0.00 C ATOM 627 O GLU A 42 4.404 -4.009 -2.901 1.00 0.00 O ATOM 628 CB GLU A 42 7.678 -4.542 -2.960 1.00 0.00 C ATOM 629 CG GLU A 42 9.032 -4.719 -3.627 1.00 0.00 C ATOM 630 CD GLU A 42 9.972 -5.588 -2.814 1.00 0.00 C ATOM 631 OE1 GLU A 42 9.681 -6.793 -2.661 1.00 0.00 O ATOM 632 OE2 GLU A 42 10.998 -5.064 -2.332 1.00 0.00 O ATOM 0 H GLU A 42 6.100 -2.205 -3.102 1.00 0.00 H new ATOM 0 HA GLU A 42 6.817 -4.416 -4.927 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.773 -3.819 -2.150 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.378 -5.488 -2.509 1.00 0.00 H new ATOM 0 HG2 GLU A 42 8.892 -5.164 -4.612 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.488 -3.741 -3.780 1.00 0.00 H new ATOM 639 N ASP A 43 5.044 -5.952 -3.839 1.00 0.00 N ATOM 640 CA ASP A 43 3.807 -6.648 -3.503 1.00 0.00 C ATOM 641 C ASP A 43 3.922 -7.336 -2.147 1.00 0.00 C ATOM 642 O ASP A 43 3.583 -8.510 -2.005 1.00 0.00 O ATOM 643 CB ASP A 43 3.466 -7.675 -4.584 1.00 0.00 C ATOM 644 CG ASP A 43 4.701 -8.327 -5.173 1.00 0.00 C ATOM 645 OD1 ASP A 43 5.710 -8.452 -4.447 1.00 0.00 O ATOM 646 OD2 ASP A 43 4.659 -8.714 -6.360 1.00 0.00 O ATOM 0 H ASP A 43 5.725 -6.521 -4.341 1.00 0.00 H new ATOM 0 HA ASP A 43 3.006 -5.910 -3.448 1.00 0.00 H new ATOM 0 HB2 ASP A 43 2.820 -8.444 -4.160 1.00 0.00 H new ATOM 0 HB3 ASP A 43 2.902 -7.188 -5.379 1.00 0.00 H new ATOM 651 N GLY A 44 4.403 -6.597 -1.152 1.00 0.00 N ATOM 652 CA GLY A 44 4.555 -7.153 0.180 1.00 0.00 C ATOM 653 C GLY A 44 5.057 -8.583 0.157 1.00 0.00 C ATOM 654 O GLY A 44 5.622 -9.034 -0.840 1.00 0.00 O ATOM 0 H GLY A 44 4.690 -5.623 -1.245 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.249 -6.536 0.751 1.00 0.00 H new ATOM 0 HA3 GLY A 44 3.596 -7.116 0.698 1.00 0.00 H new ATOM 658 N ASP A 45 4.852 -9.298 1.257 1.00 0.00 N ATOM 659 CA ASP A 45 5.289 -10.685 1.360 1.00 0.00 C ATOM 660 C ASP A 45 4.093 -11.633 1.355 1.00 0.00 C ATOM 661 O ASP A 45 4.196 -12.775 0.907 1.00 0.00 O ATOM 662 CB ASP A 45 6.112 -10.890 2.633 1.00 0.00 C ATOM 663 CG ASP A 45 6.795 -12.243 2.669 1.00 0.00 C ATOM 664 OD1 ASP A 45 7.868 -12.383 2.045 1.00 0.00 O ATOM 665 OD2 ASP A 45 6.257 -13.162 3.321 1.00 0.00 O ATOM 0 H ASP A 45 4.386 -8.940 2.091 1.00 0.00 H new ATOM 0 HA ASP A 45 5.912 -10.909 0.494 1.00 0.00 H new ATOM 0 HB2 ASP A 45 6.864 -10.104 2.706 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.462 -10.791 3.502 1.00 0.00 H new ATOM 670 N MET A 46 2.960 -11.151 1.857 1.00 0.00 N ATOM 671 CA MET A 46 1.745 -11.956 1.909 1.00 0.00 C ATOM 672 C MET A 46 1.009 -11.916 0.574 1.00 0.00 C ATOM 673 O MET A 46 1.283 -11.064 -0.270 1.00 0.00 O ATOM 674 CB MET A 46 0.827 -11.459 3.027 1.00 0.00 C ATOM 675 CG MET A 46 -0.032 -12.553 3.639 1.00 0.00 C ATOM 676 SD MET A 46 0.948 -13.868 4.388 1.00 0.00 S ATOM 677 CE MET A 46 1.680 -12.999 5.772 1.00 0.00 C ATOM 0 H MET A 46 2.858 -10.208 2.233 1.00 0.00 H new ATOM 0 HA MET A 46 2.030 -12.988 2.115 1.00 0.00 H new ATOM 0 HB2 MET A 46 1.434 -11.005 3.810 1.00 0.00 H new ATOM 0 HB3 MET A 46 0.178 -10.677 2.633 1.00 0.00 H new ATOM 0 HG2 MET A 46 -0.685 -12.117 4.395 1.00 0.00 H new ATOM 0 HG3 MET A 46 -0.675 -12.978 2.869 1.00 0.00 H new ATOM 0 HE1 MET A 46 2.093 -13.720 6.477 1.00 0.00 H new ATOM 0 HE2 MET A 46 2.476 -12.347 5.412 1.00 0.00 H new ATOM 0 HE3 MET A 46 0.918 -12.400 6.270 1.00 0.00 H new ATOM 687 N GLU A 47 0.073 -12.843 0.391 1.00 0.00 N ATOM 688 CA GLU A 47 -0.701 -12.913 -0.842 1.00 0.00 C ATOM 689 C GLU A 47 -1.759 -11.813 -0.883 1.00 0.00 C ATOM 690 O GLU A 47 -2.063 -11.269 -1.945 1.00 0.00 O ATOM 691 CB GLU A 47 -1.369 -14.283 -0.974 1.00 0.00 C ATOM 692 CG GLU A 47 -0.391 -15.412 -1.252 1.00 0.00 C ATOM 693 CD GLU A 47 0.080 -15.436 -2.693 1.00 0.00 C ATOM 694 OE1 GLU A 47 -0.600 -14.831 -3.548 1.00 0.00 O ATOM 695 OE2 GLU A 47 1.127 -16.059 -2.966 1.00 0.00 O ATOM 0 H GLU A 47 -0.167 -13.555 1.081 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.018 -12.768 -1.679 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.913 -14.503 -0.055 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.104 -14.244 -1.778 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.472 -15.310 -0.594 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.864 -16.364 -1.013 1.00 0.00 H new ATOM 702 N ASP A 48 -2.316 -11.493 0.279 1.00 0.00 N ATOM 703 CA ASP A 48 -3.340 -10.459 0.377 1.00 0.00 C ATOM 704 C ASP A 48 -2.777 -9.198 1.026 1.00 0.00 C ATOM 705 O ASP A 48 -3.426 -8.581 1.871 1.00 0.00 O ATOM 706 CB ASP A 48 -4.536 -10.970 1.181 1.00 0.00 C ATOM 707 CG ASP A 48 -5.832 -10.288 0.787 1.00 0.00 C ATOM 708 OD1 ASP A 48 -5.810 -9.061 0.554 1.00 0.00 O ATOM 709 OD2 ASP A 48 -6.868 -10.981 0.712 1.00 0.00 O ATOM 0 H ASP A 48 -2.076 -11.934 1.167 1.00 0.00 H new ATOM 0 HA ASP A 48 -3.670 -10.212 -0.632 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.636 -12.046 1.035 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -4.352 -10.808 2.243 1.00 0.00 H new ATOM 714 N TRP A 49 -1.568 -8.822 0.625 1.00 0.00 N ATOM 715 CA TRP A 49 -0.918 -7.634 1.168 1.00 0.00 C ATOM 716 C TRP A 49 0.061 -7.041 0.162 1.00 0.00 C ATOM 717 O TRP A 49 0.424 -7.688 -0.821 1.00 0.00 O ATOM 718 CB TRP A 49 -0.188 -7.977 2.468 1.00 0.00 C ATOM 719 CG TRP A 49 -1.104 -8.442 3.559 1.00 0.00 C ATOM 720 CD1 TRP A 49 -1.810 -9.610 3.594 1.00 0.00 C ATOM 721 CD2 TRP A 49 -1.415 -7.747 4.772 1.00 0.00 C ATOM 722 NE1 TRP A 49 -2.541 -9.683 4.756 1.00 0.00 N ATOM 723 CE2 TRP A 49 -2.315 -8.553 5.496 1.00 0.00 C ATOM 724 CE3 TRP A 49 -1.018 -6.523 5.318 1.00 0.00 C ATOM 725 CZ2 TRP A 49 -2.824 -8.172 6.734 1.00 0.00 C ATOM 726 CZ3 TRP A 49 -1.525 -6.146 6.547 1.00 0.00 C ATOM 727 CH2 TRP A 49 -2.419 -6.969 7.245 1.00 0.00 C ATOM 0 H TRP A 49 -1.018 -9.322 -0.074 1.00 0.00 H new ATOM 0 HA TRP A 49 -1.689 -6.892 1.377 1.00 0.00 H new ATOM 0 HB2 TRP A 49 0.550 -8.754 2.268 1.00 0.00 H new ATOM 0 HB3 TRP A 49 0.358 -7.099 2.812 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -1.796 -10.365 2.822 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -3.153 -10.454 5.024 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -0.327 -5.883 4.789 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -3.515 -8.804 7.273 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -1.227 -5.201 6.977 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -2.796 -6.648 8.205 1.00 0.00 H new ATOM 738 N VAL A 50 0.488 -5.808 0.413 1.00 0.00 N ATOM 739 CA VAL A 50 1.427 -5.128 -0.471 1.00 0.00 C ATOM 740 C VAL A 50 2.451 -4.327 0.326 1.00 0.00 C ATOM 741 O VAL A 50 2.297 -4.127 1.531 1.00 0.00 O ATOM 742 CB VAL A 50 0.698 -4.184 -1.445 1.00 0.00 C ATOM 743 CG1 VAL A 50 -0.149 -4.979 -2.427 1.00 0.00 C ATOM 744 CG2 VAL A 50 -0.156 -3.185 -0.679 1.00 0.00 C ATOM 0 H VAL A 50 0.198 -5.259 1.222 1.00 0.00 H new ATOM 0 HA VAL A 50 1.940 -5.901 -1.042 1.00 0.00 H new ATOM 0 HB VAL A 50 1.445 -3.629 -2.013 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.656 -4.295 -3.107 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.491 -5.651 -2.999 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.890 -5.562 -1.880 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.664 -2.526 -1.383 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.896 -3.720 -0.084 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.479 -2.593 -0.021 1.00 0.00 H new ATOM 754 N LYS A 51 3.496 -3.871 -0.355 1.00 0.00 N ATOM 755 CA LYS A 51 4.546 -3.089 0.287 1.00 0.00 C ATOM 756 C LYS A 51 4.498 -1.634 -0.170 1.00 0.00 C ATOM 757 O LYS A 51 4.697 -1.337 -1.347 1.00 0.00 O ATOM 758 CB LYS A 51 5.919 -3.688 -0.025 1.00 0.00 C ATOM 759 CG LYS A 51 6.978 -3.354 1.011 1.00 0.00 C ATOM 760 CD LYS A 51 8.366 -3.755 0.539 1.00 0.00 C ATOM 761 CE LYS A 51 8.485 -5.263 0.375 1.00 0.00 C ATOM 762 NZ LYS A 51 9.878 -5.677 0.053 1.00 0.00 N ATOM 0 H LYS A 51 3.639 -4.029 -1.352 1.00 0.00 H new ATOM 0 HA LYS A 51 4.380 -3.118 1.364 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.825 -4.771 -0.100 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.250 -3.329 -0.999 1.00 0.00 H new ATOM 0 HG2 LYS A 51 6.959 -2.284 1.220 1.00 0.00 H new ATOM 0 HG3 LYS A 51 6.748 -3.866 1.945 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.584 -3.266 -0.411 1.00 0.00 H new ATOM 0 HD3 LYS A 51 9.110 -3.406 1.255 1.00 0.00 H new ATOM 0 HE2 LYS A 51 8.163 -5.755 1.293 1.00 0.00 H new ATOM 0 HE3 LYS A 51 7.815 -5.596 -0.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 9.875 -6.650 -0.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 10.273 -5.037 -0.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 10.461 -5.633 0.913 1.00 0.00 H new ATOM 776 N ALA A 52 4.235 -0.732 0.770 1.00 0.00 N ATOM 777 CA ALA A 52 4.165 0.691 0.464 1.00 0.00 C ATOM 778 C ALA A 52 5.019 1.503 1.433 1.00 0.00 C ATOM 779 O ALA A 52 5.010 1.257 2.639 1.00 0.00 O ATOM 780 CB ALA A 52 2.721 1.169 0.502 1.00 0.00 C ATOM 0 H ALA A 52 4.067 -0.962 1.749 1.00 0.00 H new ATOM 0 HA ALA A 52 4.559 0.841 -0.541 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.684 2.234 0.272 1.00 0.00 H new ATOM 0 HB2 ALA A 52 2.136 0.618 -0.234 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.307 0.998 1.496 1.00 0.00 H new ATOM 786 N ARG A 53 5.755 2.471 0.897 1.00 0.00 N ATOM 787 CA ARG A 53 6.615 3.318 1.714 1.00 0.00 C ATOM 788 C ARG A 53 5.957 4.670 1.976 1.00 0.00 C ATOM 789 O ARG A 53 5.545 5.361 1.046 1.00 0.00 O ATOM 790 CB ARG A 53 7.967 3.521 1.028 1.00 0.00 C ATOM 791 CG ARG A 53 8.926 4.398 1.818 1.00 0.00 C ATOM 792 CD ARG A 53 10.222 4.631 1.058 1.00 0.00 C ATOM 793 NE ARG A 53 10.974 3.393 0.867 1.00 0.00 N ATOM 794 CZ ARG A 53 12.235 3.356 0.450 1.00 0.00 C ATOM 795 NH1 ARG A 53 12.882 4.482 0.184 1.00 0.00 N ATOM 796 NH2 ARG A 53 12.851 2.191 0.300 1.00 0.00 N ATOM 0 H ARG A 53 5.773 2.688 -0.099 1.00 0.00 H new ATOM 0 HA ARG A 53 6.772 2.819 2.670 1.00 0.00 H new ATOM 0 HB2 ARG A 53 8.430 2.548 0.862 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.804 3.968 0.047 1.00 0.00 H new ATOM 0 HG2 ARG A 53 8.452 5.356 2.033 1.00 0.00 H new ATOM 0 HG3 ARG A 53 9.145 3.928 2.777 1.00 0.00 H new ATOM 0 HD2 ARG A 53 9.999 5.073 0.087 1.00 0.00 H new ATOM 0 HD3 ARG A 53 10.837 5.349 1.601 1.00 0.00 H new ATOM 0 HE ARG A 53 10.505 2.509 1.065 1.00 0.00 H new ATOM 0 HH11 ARG A 53 12.412 5.380 0.299 1.00 0.00 H new ATOM 0 HH12 ARG A 53 13.850 4.451 -0.136 1.00 0.00 H new ATOM 0 HH21 ARG A 53 12.357 1.323 0.505 1.00 0.00 H new ATOM 0 HH22 ARG A 53 13.819 2.163 -0.020 1.00 0.00 H new ATOM 810 N ASN A 54 5.863 5.039 3.249 1.00 0.00 N ATOM 811 CA ASN A 54 5.254 6.308 3.634 1.00 0.00 C ATOM 812 C ASN A 54 6.246 7.456 3.480 1.00 0.00 C ATOM 813 O ASN A 54 7.369 7.263 3.013 1.00 0.00 O ATOM 814 CB ASN A 54 4.754 6.240 5.078 1.00 0.00 C ATOM 815 CG ASN A 54 5.646 5.387 5.960 1.00 0.00 C ATOM 816 OD1 ASN A 54 6.754 5.020 5.569 1.00 0.00 O ATOM 817 ND2 ASN A 54 5.166 5.068 7.156 1.00 0.00 N ATOM 0 H ASN A 54 6.200 4.478 4.031 1.00 0.00 H new ATOM 0 HA ASN A 54 4.408 6.492 2.972 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.699 7.248 5.488 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.742 5.836 5.090 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.721 4.496 7.793 1.00 0.00 H new ATOM 0 HD22 ASN A 54 4.242 5.395 7.438 1.00 0.00 H new ATOM 824 N LYS A 55 5.825 8.652 3.878 1.00 0.00 N ATOM 825 CA LYS A 55 6.676 9.832 3.787 1.00 0.00 C ATOM 826 C LYS A 55 7.950 9.649 4.606 1.00 0.00 C ATOM 827 O LYS A 55 9.026 10.094 4.206 1.00 0.00 O ATOM 828 CB LYS A 55 5.919 11.071 4.273 1.00 0.00 C ATOM 829 CG LYS A 55 5.377 10.937 5.686 1.00 0.00 C ATOM 830 CD LYS A 55 4.126 11.777 5.885 1.00 0.00 C ATOM 831 CE LYS A 55 4.470 13.234 6.152 1.00 0.00 C ATOM 832 NZ LYS A 55 4.826 13.468 7.579 1.00 0.00 N ATOM 0 H LYS A 55 4.899 8.829 4.267 1.00 0.00 H new ATOM 0 HA LYS A 55 6.953 9.969 2.742 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.584 11.934 4.228 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.091 11.271 3.593 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.151 9.891 5.892 1.00 0.00 H new ATOM 0 HG3 LYS A 55 6.141 11.245 6.400 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.495 11.707 4.999 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.548 11.380 6.720 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.304 13.533 5.516 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.622 13.863 5.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.054 14.473 7.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 4.022 13.207 8.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.651 12.887 7.831 1.00 0.00 H new ATOM 846 N VAL A 56 7.821 8.990 5.753 1.00 0.00 N ATOM 847 CA VAL A 56 8.963 8.745 6.626 1.00 0.00 C ATOM 848 C VAL A 56 9.949 7.776 5.984 1.00 0.00 C ATOM 849 O VAL A 56 11.135 7.773 6.310 1.00 0.00 O ATOM 850 CB VAL A 56 8.517 8.179 7.988 1.00 0.00 C ATOM 851 CG1 VAL A 56 7.661 9.193 8.733 1.00 0.00 C ATOM 852 CG2 VAL A 56 7.765 6.870 7.800 1.00 0.00 C ATOM 0 H VAL A 56 6.937 8.616 6.099 1.00 0.00 H new ATOM 0 HA VAL A 56 9.453 9.706 6.782 1.00 0.00 H new ATOM 0 HB VAL A 56 9.405 7.979 8.587 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.355 8.776 9.693 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.237 10.103 8.900 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.776 9.427 8.141 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.457 6.484 8.772 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.883 7.042 7.182 1.00 0.00 H new ATOM 0 HG23 VAL A 56 8.415 6.144 7.311 1.00 0.00 H new ATOM 862 N GLY A 57 9.449 6.953 5.067 1.00 0.00 N ATOM 863 CA GLY A 57 10.299 5.990 4.392 1.00 0.00 C ATOM 864 C GLY A 57 10.117 4.582 4.924 1.00 0.00 C ATOM 865 O GLY A 57 10.647 3.626 4.360 1.00 0.00 O ATOM 0 H GLY A 57 8.470 6.936 4.780 1.00 0.00 H new ATOM 0 HA2 GLY A 57 10.080 6.003 3.324 1.00 0.00 H new ATOM 0 HA3 GLY A 57 11.341 6.287 4.507 1.00 0.00 H new ATOM 869 N GLN A 58 9.366 4.456 6.013 1.00 0.00 N ATOM 870 CA GLN A 58 9.117 3.154 6.622 1.00 0.00 C ATOM 871 C GLN A 58 8.428 2.215 5.638 1.00 0.00 C ATOM 872 O GLN A 58 7.379 2.542 5.083 1.00 0.00 O ATOM 873 CB GLN A 58 8.261 3.311 7.880 1.00 0.00 C ATOM 874 CG GLN A 58 9.074 3.527 9.147 1.00 0.00 C ATOM 875 CD GLN A 58 8.206 3.814 10.356 1.00 0.00 C ATOM 876 OE1 GLN A 58 7.123 4.386 10.235 1.00 0.00 O ATOM 877 NE2 GLN A 58 8.679 3.416 11.532 1.00 0.00 N ATOM 0 H GLN A 58 8.920 5.238 6.492 1.00 0.00 H new ATOM 0 HA GLN A 58 10.078 2.720 6.897 1.00 0.00 H new ATOM 0 HB2 GLN A 58 7.583 4.154 7.745 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.643 2.421 8.002 1.00 0.00 H new ATOM 0 HG2 GLN A 58 9.679 2.641 9.341 1.00 0.00 H new ATOM 0 HG3 GLN A 58 9.764 4.357 8.994 1.00 0.00 H new ATOM 0 HE21 GLN A 58 9.582 2.945 11.586 1.00 0.00 H new ATOM 0 HE22 GLN A 58 8.139 3.581 12.381 1.00 0.00 H new ATOM 886 N VAL A 59 9.025 1.047 5.426 1.00 0.00 N ATOM 887 CA VAL A 59 8.468 0.059 4.509 1.00 0.00 C ATOM 888 C VAL A 59 7.939 -1.155 5.263 1.00 0.00 C ATOM 889 O VAL A 59 8.667 -1.792 6.024 1.00 0.00 O ATOM 890 CB VAL A 59 9.516 -0.406 3.480 1.00 0.00 C ATOM 891 CG1 VAL A 59 8.875 -1.303 2.432 1.00 0.00 C ATOM 892 CG2 VAL A 59 10.190 0.792 2.829 1.00 0.00 C ATOM 0 H VAL A 59 9.894 0.761 5.877 1.00 0.00 H new ATOM 0 HA VAL A 59 7.645 0.544 3.984 1.00 0.00 H new ATOM 0 HB VAL A 59 10.279 -0.985 4.000 1.00 0.00 H new ATOM 0 HG11 VAL A 59 9.631 -1.621 1.714 1.00 0.00 H new ATOM 0 HG12 VAL A 59 8.444 -2.179 2.917 1.00 0.00 H new ATOM 0 HG13 VAL A 59 8.090 -0.753 1.913 1.00 0.00 H new ATOM 0 HG21 VAL A 59 10.927 0.446 2.105 1.00 0.00 H new ATOM 0 HG22 VAL A 59 9.441 1.400 2.322 1.00 0.00 H new ATOM 0 HG23 VAL A 59 10.686 1.391 3.593 1.00 0.00 H new ATOM 902 N GLY A 60 6.665 -1.471 5.048 1.00 0.00 N ATOM 903 CA GLY A 60 6.060 -2.609 5.714 1.00 0.00 C ATOM 904 C GLY A 60 5.036 -3.312 4.846 1.00 0.00 C ATOM 905 O GLY A 60 5.083 -3.220 3.619 1.00 0.00 O ATOM 0 H GLY A 60 6.042 -0.959 4.424 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.839 -3.317 5.997 1.00 0.00 H new ATOM 0 HA3 GLY A 60 5.583 -2.275 6.635 1.00 0.00 H new ATOM 909 N TYR A 61 4.108 -4.019 5.482 1.00 0.00 N ATOM 910 CA TYR A 61 3.071 -4.745 4.760 1.00 0.00 C ATOM 911 C TYR A 61 1.683 -4.250 5.156 1.00 0.00 C ATOM 912 O TYR A 61 1.355 -4.167 6.340 1.00 0.00 O ATOM 913 CB TYR A 61 3.186 -6.246 5.031 1.00 0.00 C ATOM 914 CG TYR A 61 4.523 -6.831 4.636 1.00 0.00 C ATOM 915 CD1 TYR A 61 5.080 -6.565 3.391 1.00 0.00 C ATOM 916 CD2 TYR A 61 5.229 -7.650 5.508 1.00 0.00 C ATOM 917 CE1 TYR A 61 6.301 -7.099 3.026 1.00 0.00 C ATOM 918 CE2 TYR A 61 6.451 -8.187 5.152 1.00 0.00 C ATOM 919 CZ TYR A 61 6.983 -7.909 3.910 1.00 0.00 C ATOM 920 OH TYR A 61 8.200 -8.442 3.551 1.00 0.00 O ATOM 0 H TYR A 61 4.053 -4.104 6.497 1.00 0.00 H new ATOM 0 HA TYR A 61 3.211 -4.564 3.694 1.00 0.00 H new ATOM 0 HB2 TYR A 61 3.018 -6.429 6.092 1.00 0.00 H new ATOM 0 HB3 TYR A 61 2.397 -6.766 4.489 1.00 0.00 H new ATOM 0 HD1 TYR A 61 4.550 -5.930 2.697 1.00 0.00 H new ATOM 0 HD2 TYR A 61 4.815 -7.871 6.481 1.00 0.00 H new ATOM 0 HE1 TYR A 61 6.719 -6.883 2.054 1.00 0.00 H new ATOM 0 HE2 TYR A 61 6.987 -8.821 5.843 1.00 0.00 H new ATOM 0 HH TYR A 61 8.548 -8.988 4.287 1.00 0.00 H new ATOM 930 N VAL A 62 0.871 -3.923 4.156 1.00 0.00 N ATOM 931 CA VAL A 62 -0.483 -3.438 4.398 1.00 0.00 C ATOM 932 C VAL A 62 -1.488 -4.137 3.490 1.00 0.00 C ATOM 933 O VAL A 62 -1.157 -4.607 2.402 1.00 0.00 O ATOM 934 CB VAL A 62 -0.582 -1.916 4.178 1.00 0.00 C ATOM 935 CG1 VAL A 62 0.124 -1.168 5.299 1.00 0.00 C ATOM 936 CG2 VAL A 62 -0.003 -1.535 2.824 1.00 0.00 C ATOM 0 H VAL A 62 1.127 -3.985 3.171 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.718 -3.664 5.438 1.00 0.00 H new ATOM 0 HB VAL A 62 -1.634 -1.632 4.190 1.00 0.00 H new ATOM 0 HG11 VAL A 62 0.044 -0.095 5.127 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.341 -1.418 6.253 1.00 0.00 H new ATOM 0 HG13 VAL A 62 1.175 -1.454 5.322 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.081 -0.457 2.685 1.00 0.00 H new ATOM 0 HG22 VAL A 62 1.045 -1.832 2.780 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.557 -2.043 2.035 1.00 0.00 H new ATOM 946 N PRO A 63 -2.747 -4.209 3.947 1.00 0.00 N ATOM 947 CA PRO A 63 -3.828 -4.850 3.190 1.00 0.00 C ATOM 948 C PRO A 63 -4.219 -4.053 1.950 1.00 0.00 C ATOM 949 O PRO A 63 -4.481 -2.853 2.030 1.00 0.00 O ATOM 950 CB PRO A 63 -4.987 -4.886 4.190 1.00 0.00 C ATOM 951 CG PRO A 63 -4.711 -3.765 5.131 1.00 0.00 C ATOM 952 CD PRO A 63 -3.213 -3.671 5.235 1.00 0.00 C ATOM 0 HA PRO A 63 -3.538 -5.832 2.817 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -5.946 -4.755 3.689 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -5.029 -5.841 4.714 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -5.136 -2.832 4.762 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -5.159 -3.955 6.106 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -2.884 -2.642 5.383 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.831 -4.252 6.075 1.00 0.00 H new ATOM 960 N GLU A 64 -4.255 -4.728 0.806 1.00 0.00 N ATOM 961 CA GLU A 64 -4.614 -4.081 -0.451 1.00 0.00 C ATOM 962 C GLU A 64 -6.075 -3.642 -0.439 1.00 0.00 C ATOM 963 O GLU A 64 -6.414 -2.558 -0.915 1.00 0.00 O ATOM 964 CB GLU A 64 -4.364 -5.027 -1.627 1.00 0.00 C ATOM 965 CG GLU A 64 -4.031 -4.311 -2.925 1.00 0.00 C ATOM 966 CD GLU A 64 -5.268 -3.910 -3.704 1.00 0.00 C ATOM 967 OE1 GLU A 64 -6.303 -3.621 -3.067 1.00 0.00 O ATOM 968 OE2 GLU A 64 -5.201 -3.884 -4.951 1.00 0.00 O ATOM 0 H GLU A 64 -4.040 -5.722 0.723 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.988 -3.196 -0.566 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.545 -5.700 -1.373 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.249 -5.645 -1.780 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -3.441 -3.421 -2.704 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -3.411 -4.959 -3.544 1.00 0.00 H new ATOM 975 N LYS A 65 -6.937 -4.491 0.109 1.00 0.00 N ATOM 976 CA LYS A 65 -8.363 -4.193 0.185 1.00 0.00 C ATOM 977 C LYS A 65 -8.596 -2.796 0.751 1.00 0.00 C ATOM 978 O LYS A 65 -9.530 -2.100 0.348 1.00 0.00 O ATOM 979 CB LYS A 65 -9.077 -5.232 1.052 1.00 0.00 C ATOM 980 CG LYS A 65 -8.547 -5.306 2.473 1.00 0.00 C ATOM 981 CD LYS A 65 -8.688 -6.705 3.049 1.00 0.00 C ATOM 982 CE LYS A 65 -7.453 -7.548 2.774 1.00 0.00 C ATOM 983 NZ LYS A 65 -7.739 -9.005 2.885 1.00 0.00 N ATOM 0 H LYS A 65 -6.673 -5.392 0.508 1.00 0.00 H new ATOM 0 HA LYS A 65 -8.771 -4.230 -0.825 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -10.141 -4.998 1.082 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -8.979 -6.212 0.585 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -7.498 -5.010 2.487 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -9.087 -4.597 3.101 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -8.855 -6.642 4.124 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -9.564 -7.190 2.619 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -7.078 -7.327 1.775 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -6.665 -7.278 3.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -6.873 -9.509 3.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -8.476 -9.161 3.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -8.069 -9.365 1.967 1.00 0.00 H new ATOM 997 N TYR A 66 -7.743 -2.390 1.685 1.00 0.00 N ATOM 998 CA TYR A 66 -7.858 -1.076 2.306 1.00 0.00 C ATOM 999 C TYR A 66 -7.287 0.008 1.397 1.00 0.00 C ATOM 1000 O TYR A 66 -7.726 1.159 1.432 1.00 0.00 O ATOM 1001 CB TYR A 66 -7.133 -1.062 3.654 1.00 0.00 C ATOM 1002 CG TYR A 66 -7.910 -1.728 4.766 1.00 0.00 C ATOM 1003 CD1 TYR A 66 -8.048 -3.110 4.812 1.00 0.00 C ATOM 1004 CD2 TYR A 66 -8.507 -0.977 5.771 1.00 0.00 C ATOM 1005 CE1 TYR A 66 -8.758 -3.724 5.827 1.00 0.00 C ATOM 1006 CE2 TYR A 66 -9.217 -1.581 6.790 1.00 0.00 C ATOM 1007 CZ TYR A 66 -9.340 -2.955 6.813 1.00 0.00 C ATOM 1008 OH TYR A 66 -10.048 -3.562 7.825 1.00 0.00 O ATOM 0 H TYR A 66 -6.964 -2.952 2.029 1.00 0.00 H new ATOM 0 HA TYR A 66 -8.916 -0.869 2.467 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -6.171 -1.562 3.545 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -6.926 -0.029 3.935 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -7.593 -3.715 4.042 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -8.414 0.099 5.755 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -8.856 -4.799 5.848 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -9.673 -0.982 7.564 1.00 0.00 H new ATOM 0 HH TYR A 66 -10.392 -2.880 8.438 1.00 0.00 H new ATOM 1018 N LEU A 67 -6.307 -0.367 0.584 1.00 0.00 N ATOM 1019 CA LEU A 67 -5.675 0.572 -0.337 1.00 0.00 C ATOM 1020 C LEU A 67 -6.548 0.800 -1.567 1.00 0.00 C ATOM 1021 O LEU A 67 -7.240 -0.109 -2.024 1.00 0.00 O ATOM 1022 CB LEU A 67 -4.300 0.053 -0.762 1.00 0.00 C ATOM 1023 CG LEU A 67 -3.207 0.094 0.307 1.00 0.00 C ATOM 1024 CD1 LEU A 67 -1.911 -0.491 -0.231 1.00 0.00 C ATOM 1025 CD2 LEU A 67 -2.990 1.520 0.793 1.00 0.00 C ATOM 0 H LEU A 67 -5.932 -1.315 0.543 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.553 1.524 0.180 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.411 -0.977 -1.100 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.963 0.635 -1.620 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.530 -0.512 1.153 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.145 -0.453 0.544 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.075 -1.527 -0.529 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.582 0.087 -1.095 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.209 1.530 1.553 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.689 2.148 -0.045 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.917 1.904 1.220 1.00 0.00 H new ATOM 1037 N GLN A 68 -6.507 2.017 -2.098 1.00 0.00 N ATOM 1038 CA GLN A 68 -7.293 2.363 -3.276 1.00 0.00 C ATOM 1039 C GLN A 68 -6.389 2.624 -4.477 1.00 0.00 C ATOM 1040 O GLN A 68 -5.800 3.699 -4.601 1.00 0.00 O ATOM 1041 CB GLN A 68 -8.157 3.594 -2.996 1.00 0.00 C ATOM 1042 CG GLN A 68 -9.293 3.778 -3.989 1.00 0.00 C ATOM 1043 CD GLN A 68 -10.291 2.638 -3.954 1.00 0.00 C ATOM 1044 OE1 GLN A 68 -10.121 1.672 -3.209 1.00 0.00 O ATOM 1045 NE2 GLN A 68 -11.340 2.743 -4.761 1.00 0.00 N ATOM 0 H GLN A 68 -5.938 2.780 -1.731 1.00 0.00 H new ATOM 0 HA GLN A 68 -7.941 1.518 -3.509 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.573 3.515 -1.991 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.525 4.482 -3.011 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -9.809 4.714 -3.775 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -8.881 3.864 -4.994 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -11.441 3.561 -5.362 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -12.045 2.006 -4.780 1.00 0.00 H new ATOM 1054 N PHE A 69 -6.283 1.635 -5.358 1.00 0.00 N ATOM 1055 CA PHE A 69 -5.449 1.758 -6.548 1.00 0.00 C ATOM 1056 C PHE A 69 -6.095 2.687 -7.571 1.00 0.00 C ATOM 1057 O PHE A 69 -7.313 2.863 -7.606 1.00 0.00 O ATOM 1058 CB PHE A 69 -5.208 0.382 -7.172 1.00 0.00 C ATOM 1059 CG PHE A 69 -4.181 -0.436 -6.443 1.00 0.00 C ATOM 1060 CD1 PHE A 69 -4.254 -0.599 -5.069 1.00 0.00 C ATOM 1061 CD2 PHE A 69 -3.141 -1.040 -7.132 1.00 0.00 C ATOM 1062 CE1 PHE A 69 -3.310 -1.351 -4.395 1.00 0.00 C ATOM 1063 CE2 PHE A 69 -2.195 -1.793 -6.463 1.00 0.00 C ATOM 1064 CZ PHE A 69 -2.279 -1.948 -5.093 1.00 0.00 C ATOM 0 H PHE A 69 -6.764 0.740 -5.271 1.00 0.00 H new ATOM 0 HA PHE A 69 -4.492 2.186 -6.248 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -6.149 -0.168 -7.195 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -4.890 0.512 -8.206 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -5.058 -0.133 -4.518 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -3.069 -0.921 -8.203 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -3.379 -1.471 -3.324 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -1.390 -2.260 -7.011 1.00 0.00 H new ATOM 0 HZ PHE A 69 -1.540 -2.535 -4.569 1.00 0.00 H new ATOM 1074 N PRO A 70 -5.260 3.298 -8.425 1.00 0.00 N ATOM 1075 CA PRO A 70 -5.727 4.220 -9.465 1.00 0.00 C ATOM 1076 C PRO A 70 -6.493 3.504 -10.573 1.00 0.00 C ATOM 1077 O PRO A 70 -6.919 4.124 -11.548 1.00 0.00 O ATOM 1078 CB PRO A 70 -4.430 4.821 -10.014 1.00 0.00 C ATOM 1079 CG PRO A 70 -3.387 3.796 -9.728 1.00 0.00 C ATOM 1080 CD PRO A 70 -3.797 3.136 -8.441 1.00 0.00 C ATOM 0 HA PRO A 70 -6.423 4.960 -9.071 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -4.507 5.020 -11.083 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -4.197 5.769 -9.529 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -3.323 3.068 -10.537 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -2.403 4.256 -9.635 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -3.509 2.085 -8.419 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -3.331 3.613 -7.579 1.00 0.00 H new ATOM 1088 N THR A 71 -6.665 2.196 -10.416 1.00 0.00 N ATOM 1089 CA THR A 71 -7.380 1.396 -11.403 1.00 0.00 C ATOM 1090 C THR A 71 -8.871 1.710 -11.391 1.00 0.00 C ATOM 1091 O THR A 71 -9.397 2.230 -10.407 1.00 0.00 O ATOM 1092 CB THR A 71 -7.182 -0.112 -11.154 1.00 0.00 C ATOM 1093 OG1 THR A 71 -7.824 -0.867 -12.188 1.00 0.00 O ATOM 1094 CG2 THR A 71 -7.746 -0.515 -9.800 1.00 0.00 C ATOM 0 H THR A 71 -6.319 1.668 -9.615 1.00 0.00 H new ATOM 0 HA THR A 71 -6.966 1.654 -12.378 1.00 0.00 H new ATOM 0 HB THR A 71 -6.113 -0.322 -11.161 1.00 0.00 H new ATOM 0 HG1 THR A 71 -7.692 -1.824 -12.024 1.00 0.00 H new ATOM 0 HG21 THR A 71 -7.595 -1.583 -9.646 1.00 0.00 H new ATOM 0 HG22 THR A 71 -7.236 0.041 -9.013 1.00 0.00 H new ATOM 0 HG23 THR A 71 -8.812 -0.291 -9.769 1.00 0.00 H new ATOM 1102 N SER A 72 -9.548 1.390 -12.489 1.00 0.00 N ATOM 1103 CA SER A 72 -10.979 1.642 -12.606 1.00 0.00 C ATOM 1104 C SER A 72 -11.775 0.660 -11.750 1.00 0.00 C ATOM 1105 O SER A 72 -11.885 -0.520 -12.079 1.00 0.00 O ATOM 1106 CB SER A 72 -11.420 1.535 -14.067 1.00 0.00 C ATOM 1107 OG SER A 72 -11.159 0.242 -14.585 1.00 0.00 O ATOM 0 H SER A 72 -9.128 0.955 -13.311 1.00 0.00 H new ATOM 0 HA SER A 72 -11.175 2.653 -12.248 1.00 0.00 H new ATOM 0 HB2 SER A 72 -12.485 1.754 -14.146 1.00 0.00 H new ATOM 0 HB3 SER A 72 -10.896 2.282 -14.664 1.00 0.00 H new ATOM 0 HG SER A 72 -11.199 -0.415 -13.859 1.00 0.00 H new ATOM 1113 N SER A 73 -12.328 1.159 -10.649 1.00 0.00 N ATOM 1114 CA SER A 73 -13.110 0.327 -9.742 1.00 0.00 C ATOM 1115 C SER A 73 -14.575 0.292 -10.165 1.00 0.00 C ATOM 1116 O SER A 73 -15.364 1.154 -9.781 1.00 0.00 O ATOM 1117 CB SER A 73 -12.993 0.848 -8.308 1.00 0.00 C ATOM 1118 OG SER A 73 -13.537 -0.077 -7.383 1.00 0.00 O ATOM 0 H SER A 73 -12.249 2.135 -10.364 1.00 0.00 H new ATOM 0 HA SER A 73 -12.713 -0.687 -9.785 1.00 0.00 H new ATOM 0 HB2 SER A 73 -11.946 1.032 -8.069 1.00 0.00 H new ATOM 0 HB3 SER A 73 -13.513 1.802 -8.221 1.00 0.00 H new ATOM 0 HG SER A 73 -13.449 0.279 -6.474 1.00 0.00 H new ATOM 1124 N GLY A 74 -14.932 -0.714 -10.959 1.00 0.00 N ATOM 1125 CA GLY A 74 -16.301 -0.844 -11.421 1.00 0.00 C ATOM 1126 C GLY A 74 -16.423 -1.764 -12.620 1.00 0.00 C ATOM 1127 O GLY A 74 -15.494 -2.492 -12.968 1.00 0.00 O ATOM 0 H GLY A 74 -14.297 -1.441 -11.290 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -16.920 -1.226 -10.609 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -16.688 0.141 -11.682 1.00 0.00 H new ATOM 1131 N PRO A 75 -17.595 -1.739 -13.273 1.00 0.00 N ATOM 1132 CA PRO A 75 -17.863 -2.572 -14.449 1.00 0.00 C ATOM 1133 C PRO A 75 -17.062 -2.129 -15.668 1.00 0.00 C ATOM 1134 O PRO A 75 -17.203 -2.692 -16.754 1.00 0.00 O ATOM 1135 CB PRO A 75 -19.361 -2.371 -14.691 1.00 0.00 C ATOM 1136 CG PRO A 75 -19.666 -1.040 -14.095 1.00 0.00 C ATOM 1137 CD PRO A 75 -18.747 -0.895 -12.914 1.00 0.00 C ATOM 0 HA PRO A 75 -17.579 -3.612 -14.286 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -19.596 -2.392 -15.755 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -19.947 -3.160 -14.220 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -19.501 -0.241 -14.818 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -20.710 -0.980 -13.787 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -18.452 0.143 -12.759 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -19.221 -1.233 -11.992 1.00 0.00 H new ATOM 1145 N SER A 76 -16.221 -1.117 -15.482 1.00 0.00 N ATOM 1146 CA SER A 76 -15.399 -0.596 -16.569 1.00 0.00 C ATOM 1147 C SER A 76 -14.955 -1.720 -17.501 1.00 0.00 C ATOM 1148 O SER A 76 -14.148 -2.570 -17.126 1.00 0.00 O ATOM 1149 CB SER A 76 -14.175 0.130 -16.008 1.00 0.00 C ATOM 1150 OG SER A 76 -13.373 0.658 -17.050 1.00 0.00 O ATOM 0 H SER A 76 -16.091 -0.641 -14.589 1.00 0.00 H new ATOM 0 HA SER A 76 -16.001 0.110 -17.141 1.00 0.00 H new ATOM 0 HB2 SER A 76 -14.497 0.936 -15.349 1.00 0.00 H new ATOM 0 HB3 SER A 76 -13.585 -0.559 -15.404 1.00 0.00 H new ATOM 0 HG SER A 76 -12.598 1.118 -16.665 1.00 0.00 H new ATOM 1156 N SER A 77 -15.490 -1.716 -18.718 1.00 0.00 N ATOM 1157 CA SER A 77 -15.153 -2.737 -19.704 1.00 0.00 C ATOM 1158 C SER A 77 -14.848 -2.104 -21.058 1.00 0.00 C ATOM 1159 O SER A 77 -15.617 -1.286 -21.561 1.00 0.00 O ATOM 1160 CB SER A 77 -16.301 -3.739 -19.843 1.00 0.00 C ATOM 1161 OG SER A 77 -17.506 -3.087 -20.204 1.00 0.00 O ATOM 0 H SER A 77 -16.158 -1.018 -19.045 1.00 0.00 H new ATOM 0 HA SER A 77 -14.262 -3.262 -19.359 1.00 0.00 H new ATOM 0 HB2 SER A 77 -16.048 -4.485 -20.596 1.00 0.00 H new ATOM 0 HB3 SER A 77 -16.440 -4.271 -18.902 1.00 0.00 H new ATOM 0 HG SER A 77 -17.299 -2.266 -20.697 1.00 0.00 H new ATOM 1167 N GLY A 78 -13.718 -2.490 -21.643 1.00 0.00 N ATOM 1168 CA GLY A 78 -13.329 -1.951 -22.933 1.00 0.00 C ATOM 1169 C GLY A 78 -14.071 -2.606 -24.082 1.00 0.00 C ATOM 1170 O GLY A 78 -13.585 -2.623 -25.213 1.00 0.00 O ATOM 0 H GLY A 78 -13.065 -3.166 -21.247 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -13.518 -0.878 -22.947 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -12.257 -2.087 -23.072 1.00 0.00 H new TER 1174 GLY A 78