USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 567 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -117:sc= 0.113 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 49:sc= 0.645 USER MOD Single : A 5 SER OG : rot 41:sc= 0.857 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.611 X(o=-0.61,f=-0.19) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 61:sc= 0.246 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.466 X(o=-0.47,f=-0.25) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.00555 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -151:sc=0.000304 (180deg=-0.145) USER MOD Single : A 30 GLN : amide:sc= -0.303 K(o=-0.3,f=-1.8!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.306 X(o=-0.31,f=-0.3) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 GLN : amide:sc= -0.0741 X(o=-0.074,f=0) USER MOD Single : A 47 GLN : amide:sc= -1.33 K(o=-1.3,f=-3.6!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc=-0.00595 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.011 21.414 -4.905 1.00 0.00 N ATOM 2 CA GLY A 1 -6.999 20.352 -4.981 1.00 0.00 C ATOM 3 C GLY A 1 -6.418 19.110 -5.659 1.00 0.00 C ATOM 4 O GLY A 1 -5.273 19.122 -6.108 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.809 21.629 -3.908 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.136 21.109 -5.378 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.380 22.265 -5.375 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.341 20.097 -3.978 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.870 20.700 -5.536 1.00 0.00 H new ATOM 8 N SER A 2 -7.234 18.067 -5.712 1.00 0.00 N ATOM 9 CA SER A 2 -6.815 16.819 -6.328 1.00 0.00 C ATOM 10 C SER A 2 -8.033 15.936 -6.602 1.00 0.00 C ATOM 11 O SER A 2 -8.836 15.684 -5.704 1.00 0.00 O ATOM 12 CB SER A 2 -5.810 16.079 -5.443 1.00 0.00 C ATOM 13 OG SER A 2 -4.621 15.741 -6.152 1.00 0.00 O ATOM 0 H SER A 2 -8.183 18.061 -5.338 1.00 0.00 H new ATOM 0 HA SER A 2 -6.324 17.051 -7.273 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.556 16.701 -4.585 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.270 15.171 -5.053 1.00 0.00 H new ATOM 0 HG SER A 2 -4.005 15.272 -5.552 1.00 0.00 H new ATOM 19 N SER A 3 -8.133 15.489 -7.845 1.00 0.00 N ATOM 20 CA SER A 3 -9.240 14.639 -8.248 1.00 0.00 C ATOM 21 C SER A 3 -8.990 14.085 -9.652 1.00 0.00 C ATOM 22 O SER A 3 -8.168 14.617 -10.396 1.00 0.00 O ATOM 23 CB SER A 3 -10.565 15.403 -8.207 1.00 0.00 C ATOM 24 OG SER A 3 -11.281 15.167 -6.998 1.00 0.00 O ATOM 0 H SER A 3 -7.465 15.700 -8.587 1.00 0.00 H new ATOM 0 HA SER A 3 -9.308 13.810 -7.544 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.371 16.471 -8.311 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.181 15.107 -9.056 1.00 0.00 H new ATOM 0 HG SER A 3 -10.680 15.285 -6.233 1.00 0.00 H new ATOM 30 N GLY A 4 -9.715 13.023 -9.972 1.00 0.00 N ATOM 31 CA GLY A 4 -9.582 12.391 -11.274 1.00 0.00 C ATOM 32 C GLY A 4 -9.988 10.917 -11.212 1.00 0.00 C ATOM 33 O GLY A 4 -9.169 10.057 -10.891 1.00 0.00 O ATOM 0 H GLY A 4 -10.396 12.584 -9.352 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.204 12.913 -12.001 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.551 12.474 -11.619 1.00 0.00 H new ATOM 37 N SER A 5 -11.252 10.671 -11.524 1.00 0.00 N ATOM 38 CA SER A 5 -11.776 9.316 -11.508 1.00 0.00 C ATOM 39 C SER A 5 -13.147 9.277 -12.187 1.00 0.00 C ATOM 40 O SER A 5 -14.173 9.459 -11.533 1.00 0.00 O ATOM 41 CB SER A 5 -11.878 8.782 -10.078 1.00 0.00 C ATOM 42 OG SER A 5 -12.752 9.569 -9.274 1.00 0.00 O ATOM 0 H SER A 5 -11.928 11.387 -11.789 1.00 0.00 H new ATOM 0 HA SER A 5 -11.086 8.676 -12.058 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.235 7.752 -10.100 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.886 8.766 -9.626 1.00 0.00 H new ATOM 0 HG SER A 5 -13.544 9.816 -9.796 1.00 0.00 H new ATOM 48 N SER A 6 -13.120 9.040 -13.490 1.00 0.00 N ATOM 49 CA SER A 6 -14.347 8.975 -14.265 1.00 0.00 C ATOM 50 C SER A 6 -14.039 8.536 -15.698 1.00 0.00 C ATOM 51 O SER A 6 -13.140 9.080 -16.338 1.00 0.00 O ATOM 52 CB SER A 6 -15.069 10.324 -14.267 1.00 0.00 C ATOM 53 OG SER A 6 -16.403 10.216 -13.776 1.00 0.00 O ATOM 0 H SER A 6 -12.267 8.891 -14.029 1.00 0.00 H new ATOM 0 HA SER A 6 -15.006 8.241 -13.801 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.513 11.034 -13.654 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.087 10.724 -15.281 1.00 0.00 H new ATOM 0 HG SER A 6 -16.830 11.098 -13.791 1.00 0.00 H new ATOM 59 N GLY A 7 -14.802 7.556 -16.160 1.00 0.00 N ATOM 60 CA GLY A 7 -14.622 7.038 -17.505 1.00 0.00 C ATOM 61 C GLY A 7 -14.202 5.567 -17.474 1.00 0.00 C ATOM 62 O GLY A 7 -15.014 4.692 -17.178 1.00 0.00 O ATOM 0 H GLY A 7 -15.546 7.107 -15.626 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.550 7.143 -18.066 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.866 7.625 -18.027 1.00 0.00 H new ATOM 66 N TRP A 8 -12.933 5.341 -17.784 1.00 0.00 N ATOM 67 CA TRP A 8 -12.395 3.991 -17.796 1.00 0.00 C ATOM 68 C TRP A 8 -10.902 4.075 -17.475 1.00 0.00 C ATOM 69 O TRP A 8 -10.074 4.182 -18.378 1.00 0.00 O ATOM 70 CB TRP A 8 -12.683 3.298 -19.129 1.00 0.00 C ATOM 71 CG TRP A 8 -13.054 1.820 -18.995 1.00 0.00 C ATOM 72 CD1 TRP A 8 -12.229 0.768 -18.889 1.00 0.00 C ATOM 73 CD2 TRP A 8 -14.387 1.268 -18.955 1.00 0.00 C ATOM 74 NE1 TRP A 8 -12.931 -0.416 -18.785 1.00 0.00 N ATOM 75 CE2 TRP A 8 -14.284 -0.102 -18.826 1.00 0.00 C ATOM 76 CE3 TRP A 8 -15.638 1.906 -19.025 1.00 0.00 C ATOM 77 CZ2 TRP A 8 -15.395 -0.951 -18.757 1.00 0.00 C ATOM 78 CZ3 TRP A 8 -16.739 1.043 -18.955 1.00 0.00 C ATOM 79 CH2 TRP A 8 -16.652 -0.338 -18.826 1.00 0.00 C ATOM 0 H TRP A 8 -12.263 6.070 -18.029 1.00 0.00 H new ATOM 0 HA TRP A 8 -12.880 3.375 -17.038 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -13.496 3.822 -19.631 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -11.805 3.385 -19.769 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -11.151 0.838 -18.885 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -12.530 -1.350 -18.695 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -15.742 2.976 -19.125 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -15.288 -2.021 -18.656 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -17.725 1.482 -19.005 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -17.550 -0.936 -18.779 1.00 0.00 H new ATOM 90 N GLN A 9 -10.602 4.022 -16.185 1.00 0.00 N ATOM 91 CA GLN A 9 -9.223 4.090 -15.734 1.00 0.00 C ATOM 92 C GLN A 9 -8.590 2.697 -15.749 1.00 0.00 C ATOM 93 O GLN A 9 -9.205 1.727 -15.310 1.00 0.00 O ATOM 94 CB GLN A 9 -9.132 4.719 -14.342 1.00 0.00 C ATOM 95 CG GLN A 9 -9.376 6.228 -14.405 1.00 0.00 C ATOM 96 CD GLN A 9 -8.149 6.960 -14.952 1.00 0.00 C ATOM 97 OE1 GLN A 9 -7.251 7.350 -14.223 1.00 0.00 O ATOM 98 NE2 GLN A 9 -8.160 7.123 -16.272 1.00 0.00 N ATOM 0 H GLN A 9 -11.291 3.933 -15.438 1.00 0.00 H new ATOM 0 HA GLN A 9 -8.667 4.727 -16.422 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -9.865 4.256 -13.681 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -8.149 4.524 -13.914 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -10.239 6.434 -15.038 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -9.614 6.603 -13.410 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -8.943 6.772 -16.823 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -7.385 7.599 -16.734 1.00 0.00 H new ATOM 107 N GLY A 10 -7.368 2.643 -16.258 1.00 0.00 N ATOM 108 CA GLY A 10 -6.645 1.385 -16.336 1.00 0.00 C ATOM 109 C GLY A 10 -7.355 0.401 -17.268 1.00 0.00 C ATOM 110 O GLY A 10 -8.445 -0.076 -16.958 1.00 0.00 O ATOM 0 H GLY A 10 -6.860 3.450 -16.620 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -5.632 1.565 -16.696 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -6.557 0.950 -15.341 1.00 0.00 H new ATOM 114 N LEU A 11 -6.708 0.128 -18.392 1.00 0.00 N ATOM 115 CA LEU A 11 -7.264 -0.790 -19.371 1.00 0.00 C ATOM 116 C LEU A 11 -6.268 -1.924 -19.624 1.00 0.00 C ATOM 117 O LEU A 11 -5.092 -1.675 -19.884 1.00 0.00 O ATOM 118 CB LEU A 11 -7.675 -0.038 -20.638 1.00 0.00 C ATOM 119 CG LEU A 11 -9.027 -0.426 -21.240 1.00 0.00 C ATOM 120 CD1 LEU A 11 -9.508 0.633 -22.235 1.00 0.00 C ATOM 121 CD2 LEU A 11 -8.968 -1.819 -21.869 1.00 0.00 C ATOM 0 H LEU A 11 -5.804 0.527 -18.646 1.00 0.00 H new ATOM 0 HA LEU A 11 -8.177 -1.247 -18.989 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -7.692 1.029 -20.414 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -6.905 -0.193 -21.394 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.760 -0.468 -20.435 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -10.471 0.333 -22.648 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -9.615 1.590 -21.724 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.782 0.731 -23.042 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -9.942 -2.070 -22.289 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -8.218 -1.830 -22.660 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -8.702 -2.551 -21.107 1.00 0.00 H new ATOM 133 N SER A 12 -6.775 -3.145 -19.539 1.00 0.00 N ATOM 134 CA SER A 12 -5.945 -4.317 -19.756 1.00 0.00 C ATOM 135 C SER A 12 -4.570 -4.110 -19.117 1.00 0.00 C ATOM 136 O SER A 12 -3.602 -3.793 -19.807 1.00 0.00 O ATOM 137 CB SER A 12 -5.796 -4.618 -21.249 1.00 0.00 C ATOM 138 OG SER A 12 -6.600 -5.723 -21.653 1.00 0.00 O ATOM 0 H SER A 12 -7.751 -3.348 -19.323 1.00 0.00 H new ATOM 0 HA SER A 12 -6.432 -5.172 -19.287 1.00 0.00 H new ATOM 0 HB2 SER A 12 -6.075 -3.736 -21.826 1.00 0.00 H new ATOM 0 HB3 SER A 12 -4.750 -4.829 -21.474 1.00 0.00 H new ATOM 0 HG SER A 12 -6.479 -5.882 -22.612 1.00 0.00 H new ATOM 144 N SER A 13 -4.528 -4.298 -17.806 1.00 0.00 N ATOM 145 CA SER A 13 -3.288 -4.136 -17.066 1.00 0.00 C ATOM 146 C SER A 13 -3.527 -4.405 -15.579 1.00 0.00 C ATOM 147 O SER A 13 -2.918 -5.305 -15.002 1.00 0.00 O ATOM 148 CB SER A 13 -2.708 -2.734 -17.265 1.00 0.00 C ATOM 149 OG SER A 13 -1.541 -2.751 -18.083 1.00 0.00 O ATOM 0 H SER A 13 -5.333 -4.561 -17.237 1.00 0.00 H new ATOM 0 HA SER A 13 -2.565 -4.857 -17.447 1.00 0.00 H new ATOM 0 HB2 SER A 13 -3.461 -2.091 -17.721 1.00 0.00 H new ATOM 0 HB3 SER A 13 -2.465 -2.301 -16.295 1.00 0.00 H new ATOM 0 HG SER A 13 -1.768 -3.103 -18.969 1.00 0.00 H new ATOM 155 N LYS A 14 -4.415 -3.609 -15.001 1.00 0.00 N ATOM 156 CA LYS A 14 -4.742 -3.751 -13.592 1.00 0.00 C ATOM 157 C LYS A 14 -5.140 -5.201 -13.309 1.00 0.00 C ATOM 158 O LYS A 14 -5.550 -5.924 -14.215 1.00 0.00 O ATOM 159 CB LYS A 14 -5.805 -2.730 -13.184 1.00 0.00 C ATOM 160 CG LYS A 14 -6.094 -2.809 -11.683 1.00 0.00 C ATOM 161 CD LYS A 14 -6.648 -1.482 -11.161 1.00 0.00 C ATOM 162 CE LYS A 14 -7.816 -1.716 -10.200 1.00 0.00 C ATOM 163 NZ LYS A 14 -9.086 -1.257 -10.805 1.00 0.00 N ATOM 0 H LYS A 14 -4.918 -2.864 -15.483 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.871 -3.533 -12.974 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.467 -1.726 -13.441 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.722 -2.911 -13.745 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -6.810 -3.608 -11.488 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.180 -3.062 -11.146 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -5.859 -0.929 -10.652 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -6.979 -0.867 -11.998 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -7.886 -2.776 -9.954 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -7.638 -1.183 -9.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -9.868 -1.423 -10.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -9.022 -0.241 -11.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -9.262 -1.784 -11.684 1.00 0.00 H new ATOM 177 N GLY A 15 -5.005 -5.582 -12.047 1.00 0.00 N ATOM 178 CA GLY A 15 -5.346 -6.932 -11.633 1.00 0.00 C ATOM 179 C GLY A 15 -4.098 -7.704 -11.198 1.00 0.00 C ATOM 180 O GLY A 15 -2.995 -7.421 -11.664 1.00 0.00 O ATOM 0 H GLY A 15 -4.664 -4.979 -11.298 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -6.060 -6.894 -10.810 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -5.834 -7.456 -12.455 1.00 0.00 H new ATOM 184 N ASP A 16 -4.314 -8.663 -10.310 1.00 0.00 N ATOM 185 CA ASP A 16 -3.221 -9.478 -9.808 1.00 0.00 C ATOM 186 C ASP A 16 -1.999 -8.589 -9.564 1.00 0.00 C ATOM 187 O ASP A 16 -1.035 -8.631 -10.328 1.00 0.00 O ATOM 188 CB ASP A 16 -2.827 -10.556 -10.819 1.00 0.00 C ATOM 189 CG ASP A 16 -3.996 -11.190 -11.576 1.00 0.00 C ATOM 190 OD1 ASP A 16 -4.786 -11.897 -10.913 1.00 0.00 O ATOM 191 OD2 ASP A 16 -4.073 -10.953 -12.801 1.00 0.00 O ATOM 0 H ASP A 16 -5.230 -8.894 -9.925 1.00 0.00 H new ATOM 0 HA ASP A 16 -3.552 -9.954 -8.885 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -2.139 -10.120 -11.543 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -2.283 -11.342 -10.296 1.00 0.00 H new ATOM 196 N LEU A 17 -2.079 -7.807 -8.498 1.00 0.00 N ATOM 197 CA LEU A 17 -0.992 -6.910 -8.145 1.00 0.00 C ATOM 198 C LEU A 17 -0.345 -7.387 -6.843 1.00 0.00 C ATOM 199 O LEU A 17 -0.948 -8.149 -6.089 1.00 0.00 O ATOM 200 CB LEU A 17 -1.487 -5.463 -8.091 1.00 0.00 C ATOM 201 CG LEU A 17 -1.642 -4.757 -9.439 1.00 0.00 C ATOM 202 CD1 LEU A 17 -2.147 -3.325 -9.253 1.00 0.00 C ATOM 203 CD2 LEU A 17 -0.337 -4.805 -10.237 1.00 0.00 C ATOM 0 H LEU A 17 -2.880 -7.776 -7.867 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.218 -6.930 -8.912 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.451 -5.448 -7.583 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.795 -4.886 -7.478 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.394 -5.291 -10.019 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.248 -2.846 -10.227 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.116 -3.343 -8.755 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.437 -2.765 -8.645 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.475 -4.296 -11.191 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.453 -4.310 -9.672 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.058 -5.843 -10.417 1.00 0.00 H new ATOM 215 N PRO A 18 0.907 -6.908 -6.614 1.00 0.00 N ATOM 216 CA PRO A 18 1.642 -7.277 -5.416 1.00 0.00 C ATOM 217 C PRO A 18 1.098 -6.542 -4.190 1.00 0.00 C ATOM 218 O PRO A 18 0.466 -5.495 -4.319 1.00 0.00 O ATOM 219 CB PRO A 18 3.090 -6.932 -5.722 1.00 0.00 C ATOM 220 CG PRO A 18 3.050 -5.958 -6.888 1.00 0.00 C ATOM 221 CD PRO A 18 1.652 -6.004 -7.485 1.00 0.00 C ATOM 0 HA PRO A 18 1.542 -8.334 -5.170 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.576 -6.484 -4.855 1.00 0.00 H new ATOM 0 HB3 PRO A 18 3.658 -7.826 -5.979 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.288 -4.949 -6.551 1.00 0.00 H new ATOM 0 HG3 PRO A 18 3.794 -6.228 -7.637 1.00 0.00 H new ATOM 0 HD2 PRO A 18 1.198 -5.013 -7.508 1.00 0.00 H new ATOM 0 HD3 PRO A 18 1.672 -6.370 -8.512 1.00 0.00 H new ATOM 229 N GLN A 19 1.363 -7.120 -3.027 1.00 0.00 N ATOM 230 CA GLN A 19 0.907 -6.533 -1.779 1.00 0.00 C ATOM 231 C GLN A 19 2.012 -6.607 -0.723 1.00 0.00 C ATOM 232 O GLN A 19 2.728 -7.604 -0.638 1.00 0.00 O ATOM 233 CB GLN A 19 -0.370 -7.216 -1.285 1.00 0.00 C ATOM 234 CG GLN A 19 -1.469 -7.157 -2.347 1.00 0.00 C ATOM 235 CD GLN A 19 -2.830 -7.518 -1.748 1.00 0.00 C ATOM 236 OE1 GLN A 19 -3.509 -8.431 -2.190 1.00 0.00 O ATOM 237 NE2 GLN A 19 -3.189 -6.753 -0.721 1.00 0.00 N ATOM 0 H GLN A 19 1.888 -7.989 -2.923 1.00 0.00 H new ATOM 0 HA GLN A 19 0.672 -5.484 -1.958 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -0.157 -8.255 -1.034 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -0.716 -6.732 -0.372 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -1.511 -6.156 -2.777 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -1.232 -7.844 -3.160 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -2.573 -6.006 -0.402 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -4.081 -6.914 -0.252 1.00 0.00 H new ATOM 246 N VAL A 20 2.116 -5.540 0.055 1.00 0.00 N ATOM 247 CA VAL A 20 3.122 -5.472 1.101 1.00 0.00 C ATOM 248 C VAL A 20 2.465 -5.016 2.406 1.00 0.00 C ATOM 249 O VAL A 20 1.574 -4.168 2.393 1.00 0.00 O ATOM 250 CB VAL A 20 4.273 -4.563 0.663 1.00 0.00 C ATOM 251 CG1 VAL A 20 4.842 -5.012 -0.684 1.00 0.00 C ATOM 252 CG2 VAL A 20 3.827 -3.101 0.610 1.00 0.00 C ATOM 0 H VAL A 20 1.520 -4.715 -0.018 1.00 0.00 H new ATOM 0 HA VAL A 20 3.553 -6.457 1.280 1.00 0.00 H new ATOM 0 HB VAL A 20 5.066 -4.644 1.406 1.00 0.00 H new ATOM 0 HG11 VAL A 20 5.658 -4.350 -0.973 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.215 -6.033 -0.599 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.059 -4.974 -1.441 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.663 -2.477 0.296 1.00 0.00 H new ATOM 0 HG22 VAL A 20 3.008 -2.996 -0.102 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.491 -2.787 1.598 1.00 0.00 H new ATOM 262 N GLU A 21 2.929 -5.601 3.500 1.00 0.00 N ATOM 263 CA GLU A 21 2.397 -5.266 4.811 1.00 0.00 C ATOM 264 C GLU A 21 3.350 -4.320 5.545 1.00 0.00 C ATOM 265 O GLU A 21 4.508 -4.661 5.780 1.00 0.00 O ATOM 266 CB GLU A 21 2.134 -6.528 5.635 1.00 0.00 C ATOM 267 CG GLU A 21 1.538 -6.177 6.999 1.00 0.00 C ATOM 268 CD GLU A 21 1.209 -7.441 7.796 1.00 0.00 C ATOM 269 OE1 GLU A 21 2.148 -8.239 8.007 1.00 0.00 O ATOM 270 OE2 GLU A 21 0.026 -7.582 8.174 1.00 0.00 O ATOM 0 H GLU A 21 3.667 -6.305 3.506 1.00 0.00 H new ATOM 0 HA GLU A 21 1.443 -4.756 4.675 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.452 -7.184 5.094 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.065 -7.078 5.772 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.242 -5.562 7.560 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.634 -5.583 6.863 1.00 0.00 H new ATOM 277 N ILE A 22 2.827 -3.152 5.886 1.00 0.00 N ATOM 278 CA ILE A 22 3.617 -2.155 6.588 1.00 0.00 C ATOM 279 C ILE A 22 4.023 -2.704 7.958 1.00 0.00 C ATOM 280 O ILE A 22 3.175 -3.159 8.724 1.00 0.00 O ATOM 281 CB ILE A 22 2.864 -0.825 6.657 1.00 0.00 C ATOM 282 CG1 ILE A 22 2.393 -0.389 5.268 1.00 0.00 C ATOM 283 CG2 ILE A 22 3.711 0.250 7.340 1.00 0.00 C ATOM 284 CD1 ILE A 22 3.480 -0.633 4.220 1.00 0.00 C ATOM 0 H ILE A 22 1.866 -2.873 5.689 1.00 0.00 H new ATOM 0 HA ILE A 22 4.537 -1.945 6.042 1.00 0.00 H new ATOM 0 HB ILE A 22 1.973 -0.968 7.268 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.491 -0.938 4.997 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.129 0.669 5.285 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.152 1.185 7.376 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.953 -0.067 8.354 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.632 0.399 6.777 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.120 -0.315 3.242 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.372 -0.064 4.481 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.724 -1.695 4.189 1.00 0.00 H new ATOM 296 N THR A 23 5.319 -2.644 8.223 1.00 0.00 N ATOM 297 CA THR A 23 5.847 -3.129 9.487 1.00 0.00 C ATOM 298 C THR A 23 5.814 -2.020 10.540 1.00 0.00 C ATOM 299 O THR A 23 5.840 -2.296 11.739 1.00 0.00 O ATOM 300 CB THR A 23 7.251 -3.683 9.232 1.00 0.00 C ATOM 301 OG1 THR A 23 7.998 -2.549 8.802 1.00 0.00 O ATOM 302 CG2 THR A 23 7.296 -4.635 8.034 1.00 0.00 C ATOM 0 H THR A 23 6.019 -2.267 7.584 1.00 0.00 H new ATOM 0 HA THR A 23 5.232 -3.934 9.889 1.00 0.00 H new ATOM 0 HB THR A 23 7.604 -4.203 10.123 1.00 0.00 H new ATOM 0 HG1 THR A 23 8.922 -2.817 8.616 1.00 0.00 H new ATOM 0 HG21 THR A 23 8.314 -4.999 7.897 1.00 0.00 H new ATOM 0 HG22 THR A 23 6.630 -5.479 8.215 1.00 0.00 H new ATOM 0 HG23 THR A 23 6.976 -4.106 7.136 1.00 0.00 H new ATOM 310 N LYS A 24 5.757 -0.789 10.055 1.00 0.00 N ATOM 311 CA LYS A 24 5.721 0.363 10.940 1.00 0.00 C ATOM 312 C LYS A 24 4.992 1.514 10.242 1.00 0.00 C ATOM 313 O LYS A 24 5.087 1.666 9.025 1.00 0.00 O ATOM 314 CB LYS A 24 7.131 0.724 11.409 1.00 0.00 C ATOM 315 CG LYS A 24 8.042 1.037 10.220 1.00 0.00 C ATOM 316 CD LYS A 24 9.500 0.707 10.544 1.00 0.00 C ATOM 317 CE LYS A 24 10.450 1.413 9.575 1.00 0.00 C ATOM 318 NZ LYS A 24 11.434 2.232 10.317 1.00 0.00 N ATOM 0 H LYS A 24 5.735 -0.564 9.060 1.00 0.00 H new ATOM 0 HA LYS A 24 5.159 0.130 11.845 1.00 0.00 H new ATOM 0 HB2 LYS A 24 7.087 1.586 12.075 1.00 0.00 H new ATOM 0 HB3 LYS A 24 7.549 -0.102 11.984 1.00 0.00 H new ATOM 0 HG2 LYS A 24 7.720 0.464 9.350 1.00 0.00 H new ATOM 0 HG3 LYS A 24 7.954 2.091 9.957 1.00 0.00 H new ATOM 0 HD2 LYS A 24 9.727 1.010 11.566 1.00 0.00 H new ATOM 0 HD3 LYS A 24 9.654 -0.371 10.489 1.00 0.00 H new ATOM 0 HE2 LYS A 24 10.970 0.675 8.964 1.00 0.00 H new ATOM 0 HE3 LYS A 24 9.880 2.046 8.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 12.071 2.704 9.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 10.934 2.948 10.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 11.990 1.620 10.948 1.00 0.00 H new ATOM 332 N ALA A 25 4.281 2.294 11.042 1.00 0.00 N ATOM 333 CA ALA A 25 3.537 3.426 10.517 1.00 0.00 C ATOM 334 C ALA A 25 4.486 4.336 9.735 1.00 0.00 C ATOM 335 O ALA A 25 5.547 4.707 10.233 1.00 0.00 O ATOM 336 CB ALA A 25 2.842 4.159 11.667 1.00 0.00 C ATOM 0 H ALA A 25 4.204 2.164 12.051 1.00 0.00 H new ATOM 0 HA ALA A 25 2.761 3.089 9.829 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.284 5.008 11.273 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.157 3.478 12.172 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.589 4.514 12.377 1.00 0.00 H new ATOM 342 N PHE A 26 4.070 4.668 8.521 1.00 0.00 N ATOM 343 CA PHE A 26 4.870 5.528 7.665 1.00 0.00 C ATOM 344 C PHE A 26 4.197 6.888 7.471 1.00 0.00 C ATOM 345 O PHE A 26 3.404 7.066 6.548 1.00 0.00 O ATOM 346 CB PHE A 26 4.981 4.829 6.309 1.00 0.00 C ATOM 347 CG PHE A 26 5.350 5.764 5.155 1.00 0.00 C ATOM 348 CD1 PHE A 26 6.525 6.448 5.184 1.00 0.00 C ATOM 349 CD2 PHE A 26 4.503 5.912 4.102 1.00 0.00 C ATOM 350 CE1 PHE A 26 6.868 7.316 4.114 1.00 0.00 C ATOM 351 CE2 PHE A 26 4.846 6.780 3.032 1.00 0.00 C ATOM 352 CZ PHE A 26 6.021 7.464 3.060 1.00 0.00 C ATOM 0 H PHE A 26 3.190 4.357 8.110 1.00 0.00 H new ATOM 0 HA PHE A 26 5.847 5.698 8.117 1.00 0.00 H new ATOM 0 HB2 PHE A 26 5.731 4.041 6.378 1.00 0.00 H new ATOM 0 HB3 PHE A 26 4.031 4.346 6.082 1.00 0.00 H new ATOM 0 HD1 PHE A 26 7.197 6.331 6.021 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.569 5.369 4.079 1.00 0.00 H new ATOM 0 HE1 PHE A 26 7.801 7.859 4.137 1.00 0.00 H new ATOM 0 HE2 PHE A 26 4.173 6.897 2.195 1.00 0.00 H new ATOM 0 HZ PHE A 26 6.281 8.124 2.246 1.00 0.00 H new ATOM 362 N PHE A 27 4.539 7.813 8.356 1.00 0.00 N ATOM 363 CA PHE A 27 3.977 9.152 8.294 1.00 0.00 C ATOM 364 C PHE A 27 4.393 9.861 7.004 1.00 0.00 C ATOM 365 O PHE A 27 5.492 10.406 6.917 1.00 0.00 O ATOM 366 CB PHE A 27 4.535 9.926 9.490 1.00 0.00 C ATOM 367 CG PHE A 27 3.991 9.460 10.842 1.00 0.00 C ATOM 368 CD1 PHE A 27 2.810 9.950 11.306 1.00 0.00 C ATOM 369 CD2 PHE A 27 4.688 8.554 11.579 1.00 0.00 C ATOM 370 CE1 PHE A 27 2.305 9.517 12.561 1.00 0.00 C ATOM 371 CE2 PHE A 27 4.183 8.121 12.834 1.00 0.00 C ATOM 372 CZ PHE A 27 3.002 8.611 13.298 1.00 0.00 C ATOM 0 H PHE A 27 5.198 7.662 9.120 1.00 0.00 H new ATOM 0 HA PHE A 27 2.888 9.101 8.314 1.00 0.00 H new ATOM 0 HB2 PHE A 27 5.621 9.833 9.495 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.307 10.984 9.363 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.256 10.668 10.720 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.625 8.164 11.210 1.00 0.00 H new ATOM 0 HE1 PHE A 27 1.368 9.907 12.930 1.00 0.00 H new ATOM 0 HE2 PHE A 27 4.737 7.403 13.420 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.618 8.281 14.252 1.00 0.00 H new ATOM 382 N ALA A 28 3.492 9.831 6.033 1.00 0.00 N ATOM 383 CA ALA A 28 3.751 10.464 4.751 1.00 0.00 C ATOM 384 C ALA A 28 4.400 11.830 4.984 1.00 0.00 C ATOM 385 O ALA A 28 3.953 12.597 5.836 1.00 0.00 O ATOM 386 CB ALA A 28 2.446 10.566 3.959 1.00 0.00 C ATOM 0 H ALA A 28 2.581 9.378 6.108 1.00 0.00 H new ATOM 0 HA ALA A 28 4.445 9.866 4.160 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.640 11.041 2.997 1.00 0.00 H new ATOM 0 HB2 ALA A 28 2.041 9.567 3.795 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.726 11.162 4.519 1.00 0.00 H new ATOM 392 N LYS A 29 5.445 12.092 4.212 1.00 0.00 N ATOM 393 CA LYS A 29 6.160 13.352 4.324 1.00 0.00 C ATOM 394 C LYS A 29 5.889 14.199 3.079 1.00 0.00 C ATOM 395 O LYS A 29 5.811 15.424 3.162 1.00 0.00 O ATOM 396 CB LYS A 29 7.647 13.103 4.587 1.00 0.00 C ATOM 397 CG LYS A 29 8.374 12.717 3.297 1.00 0.00 C ATOM 398 CD LYS A 29 9.164 13.901 2.737 1.00 0.00 C ATOM 399 CE LYS A 29 10.595 13.489 2.385 1.00 0.00 C ATOM 400 NZ LYS A 29 10.620 12.746 1.106 1.00 0.00 N ATOM 0 H LYS A 29 5.813 11.453 3.507 1.00 0.00 H new ATOM 0 HA LYS A 29 5.799 13.920 5.182 1.00 0.00 H new ATOM 0 HB2 LYS A 29 8.100 13.999 5.010 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.762 12.309 5.325 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.050 11.884 3.492 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.651 12.375 2.556 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.665 14.288 1.849 1.00 0.00 H new ATOM 0 HD3 LYS A 29 9.184 14.708 3.469 1.00 0.00 H new ATOM 0 HE2 LYS A 29 11.227 14.374 2.311 1.00 0.00 H new ATOM 0 HE3 LYS A 29 11.007 12.869 3.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 11.417 12.078 1.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.729 12.222 0.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.732 13.415 0.318 1.00 0.00 H new ATOM 414 N GLN A 30 5.754 13.513 1.953 1.00 0.00 N ATOM 415 CA GLN A 30 5.494 14.187 0.693 1.00 0.00 C ATOM 416 C GLN A 30 3.989 14.244 0.422 1.00 0.00 C ATOM 417 O GLN A 30 3.187 13.846 1.266 1.00 0.00 O ATOM 418 CB GLN A 30 6.233 13.502 -0.458 1.00 0.00 C ATOM 419 CG GLN A 30 7.642 14.075 -0.623 1.00 0.00 C ATOM 420 CD GLN A 30 7.834 14.663 -2.023 1.00 0.00 C ATOM 421 OE1 GLN A 30 6.891 15.028 -2.706 1.00 0.00 O ATOM 422 NE2 GLN A 30 9.104 14.736 -2.409 1.00 0.00 N ATOM 0 H GLN A 30 5.820 12.497 1.888 1.00 0.00 H new ATOM 0 HA GLN A 30 5.869 15.208 0.765 1.00 0.00 H new ATOM 0 HB2 GLN A 30 6.292 12.430 -0.270 1.00 0.00 H new ATOM 0 HB3 GLN A 30 5.673 13.633 -1.384 1.00 0.00 H new ATOM 0 HG2 GLN A 30 7.815 14.847 0.127 1.00 0.00 H new ATOM 0 HG3 GLN A 30 8.380 13.292 -0.449 1.00 0.00 H new ATOM 0 HE21 GLN A 30 9.845 14.413 -1.788 1.00 0.00 H new ATOM 0 HE22 GLN A 30 9.337 15.116 -3.327 1.00 0.00 H new ATOM 431 N ALA A 31 3.651 14.742 -0.758 1.00 0.00 N ATOM 432 CA ALA A 31 2.256 14.856 -1.150 1.00 0.00 C ATOM 433 C ALA A 31 1.850 13.611 -1.941 1.00 0.00 C ATOM 434 O ALA A 31 0.672 13.415 -2.235 1.00 0.00 O ATOM 435 CB ALA A 31 2.054 16.145 -1.949 1.00 0.00 C ATOM 0 H ALA A 31 4.319 15.071 -1.455 1.00 0.00 H new ATOM 0 HA ALA A 31 1.614 14.913 -0.271 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.008 16.231 -2.243 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.329 17.001 -1.334 1.00 0.00 H new ATOM 0 HB3 ALA A 31 2.681 16.122 -2.840 1.00 0.00 H new ATOM 441 N ASP A 32 2.848 12.801 -2.262 1.00 0.00 N ATOM 442 CA ASP A 32 2.610 11.580 -3.013 1.00 0.00 C ATOM 443 C ASP A 32 2.560 10.395 -2.048 1.00 0.00 C ATOM 444 O ASP A 32 1.988 9.353 -2.367 1.00 0.00 O ATOM 445 CB ASP A 32 3.734 11.324 -4.019 1.00 0.00 C ATOM 446 CG ASP A 32 3.293 11.281 -5.484 1.00 0.00 C ATOM 447 OD1 ASP A 32 2.170 11.758 -5.753 1.00 0.00 O ATOM 448 OD2 ASP A 32 4.090 10.771 -6.301 1.00 0.00 O ATOM 0 H ASP A 32 3.824 12.966 -2.016 1.00 0.00 H new ATOM 0 HA ASP A 32 1.667 11.691 -3.547 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.488 12.103 -3.905 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.214 10.377 -3.772 1.00 0.00 H new ATOM 453 N GLU A 33 3.167 10.592 -0.887 1.00 0.00 N ATOM 454 CA GLU A 33 3.199 9.552 0.128 1.00 0.00 C ATOM 455 C GLU A 33 1.830 9.422 0.798 1.00 0.00 C ATOM 456 O GLU A 33 0.923 10.206 0.523 1.00 0.00 O ATOM 457 CB GLU A 33 4.292 9.829 1.162 1.00 0.00 C ATOM 458 CG GLU A 33 5.681 9.760 0.524 1.00 0.00 C ATOM 459 CD GLU A 33 6.733 10.404 1.430 1.00 0.00 C ATOM 460 OE1 GLU A 33 6.545 10.324 2.663 1.00 0.00 O ATOM 461 OE2 GLU A 33 7.700 10.962 0.869 1.00 0.00 O ATOM 0 H GLU A 33 3.641 11.457 -0.626 1.00 0.00 H new ATOM 0 HA GLU A 33 3.435 8.605 -0.357 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.139 10.814 1.603 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.224 9.103 1.972 1.00 0.00 H new ATOM 0 HG2 GLU A 33 5.947 8.720 0.334 1.00 0.00 H new ATOM 0 HG3 GLU A 33 5.668 10.267 -0.441 1.00 0.00 H new ATOM 468 N VAL A 34 1.724 8.426 1.665 1.00 0.00 N ATOM 469 CA VAL A 34 0.480 8.183 2.376 1.00 0.00 C ATOM 470 C VAL A 34 0.793 7.609 3.760 1.00 0.00 C ATOM 471 O VAL A 34 1.675 6.762 3.900 1.00 0.00 O ATOM 472 CB VAL A 34 -0.430 7.276 1.545 1.00 0.00 C ATOM 473 CG1 VAL A 34 0.335 6.054 1.031 1.00 0.00 C ATOM 474 CG2 VAL A 34 -1.663 6.854 2.347 1.00 0.00 C ATOM 0 H VAL A 34 2.479 7.778 1.891 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.063 9.116 2.525 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.771 7.845 0.680 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.335 5.426 0.444 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.166 6.381 0.407 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.719 5.483 1.876 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.293 6.210 1.734 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.349 6.311 3.239 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.226 7.740 2.641 1.00 0.00 H new ATOM 484 N THR A 35 0.054 8.093 4.747 1.00 0.00 N ATOM 485 CA THR A 35 0.242 7.640 6.115 1.00 0.00 C ATOM 486 C THR A 35 -0.204 6.183 6.259 1.00 0.00 C ATOM 487 O THR A 35 -1.276 5.808 5.788 1.00 0.00 O ATOM 488 CB THR A 35 -0.510 8.599 7.039 1.00 0.00 C ATOM 489 OG1 THR A 35 0.040 9.878 6.734 1.00 0.00 O ATOM 490 CG2 THR A 35 -0.162 8.386 8.513 1.00 0.00 C ATOM 0 H THR A 35 -0.676 8.795 4.627 1.00 0.00 H new ATOM 0 HA THR A 35 1.295 7.655 6.396 1.00 0.00 H new ATOM 0 HB THR A 35 -1.583 8.472 6.898 1.00 0.00 H new ATOM 0 HG1 THR A 35 -0.393 10.561 7.288 1.00 0.00 H new ATOM 0 HG21 THR A 35 -0.723 9.092 9.125 1.00 0.00 H new ATOM 0 HG22 THR A 35 -0.420 7.368 8.804 1.00 0.00 H new ATOM 0 HG23 THR A 35 0.906 8.546 8.661 1.00 0.00 H new ATOM 498 N LEU A 36 0.643 5.401 6.912 1.00 0.00 N ATOM 499 CA LEU A 36 0.350 3.994 7.125 1.00 0.00 C ATOM 500 C LEU A 36 0.571 3.648 8.599 1.00 0.00 C ATOM 501 O LEU A 36 1.155 4.434 9.344 1.00 0.00 O ATOM 502 CB LEU A 36 1.162 3.126 6.161 1.00 0.00 C ATOM 503 CG LEU A 36 1.320 3.670 4.740 1.00 0.00 C ATOM 504 CD1 LEU A 36 2.545 3.062 4.053 1.00 0.00 C ATOM 505 CD2 LEU A 36 0.042 3.458 3.926 1.00 0.00 C ATOM 0 H LEU A 36 1.532 5.715 7.301 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.696 3.785 6.902 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.155 2.979 6.585 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.691 2.145 6.103 1.00 0.00 H new ATOM 0 HG LEU A 36 1.487 4.745 4.803 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.634 3.466 3.044 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.441 3.308 4.623 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.433 1.979 4.002 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.182 3.854 2.920 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.181 2.392 3.869 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.787 3.977 4.408 1.00 0.00 H new ATOM 517 N GLN A 37 0.094 2.471 8.975 1.00 0.00 N ATOM 518 CA GLN A 37 0.233 2.011 10.347 1.00 0.00 C ATOM 519 C GLN A 37 0.970 0.671 10.386 1.00 0.00 C ATOM 520 O GLN A 37 1.297 0.108 9.342 1.00 0.00 O ATOM 521 CB GLN A 37 -1.132 1.906 11.030 1.00 0.00 C ATOM 522 CG GLN A 37 -1.647 3.287 11.442 1.00 0.00 C ATOM 523 CD GLN A 37 -0.793 3.878 12.565 1.00 0.00 C ATOM 524 OE1 GLN A 37 -0.611 3.288 13.618 1.00 0.00 O ATOM 525 NE2 GLN A 37 -0.281 5.073 12.284 1.00 0.00 N ATOM 0 H GLN A 37 -0.389 1.822 8.354 1.00 0.00 H new ATOM 0 HA GLN A 37 0.823 2.744 10.897 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -1.845 1.435 10.354 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.055 1.266 11.909 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.635 3.955 10.581 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -2.683 3.209 11.771 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -0.473 5.511 11.383 1.00 0.00 H new ATOM 0 HE22 GLN A 37 0.303 5.551 12.969 1.00 0.00 H new ATOM 534 N GLN A 38 1.209 0.199 11.600 1.00 0.00 N ATOM 535 CA GLN A 38 1.902 -1.065 11.789 1.00 0.00 C ATOM 536 C GLN A 38 0.982 -2.233 11.428 1.00 0.00 C ATOM 537 O GLN A 38 -0.121 -2.347 11.961 1.00 0.00 O ATOM 538 CB GLN A 38 2.420 -1.197 13.222 1.00 0.00 C ATOM 539 CG GLN A 38 3.072 -2.563 13.446 1.00 0.00 C ATOM 540 CD GLN A 38 3.437 -2.763 14.918 1.00 0.00 C ATOM 541 OE1 GLN A 38 2.615 -3.126 15.744 1.00 0.00 O ATOM 542 NE2 GLN A 38 4.711 -2.505 15.200 1.00 0.00 N ATOM 0 H GLN A 38 0.935 0.669 12.463 1.00 0.00 H new ATOM 0 HA GLN A 38 2.764 -1.088 11.123 1.00 0.00 H new ATOM 0 HB2 GLN A 38 3.143 -0.407 13.425 1.00 0.00 H new ATOM 0 HB3 GLN A 38 1.597 -1.064 13.924 1.00 0.00 H new ATOM 0 HG2 GLN A 38 2.391 -3.352 13.126 1.00 0.00 H new ATOM 0 HG3 GLN A 38 3.968 -2.647 12.831 1.00 0.00 H new ATOM 0 HE21 GLN A 38 5.346 -2.205 14.461 1.00 0.00 H new ATOM 0 HE22 GLN A 38 5.053 -2.607 16.156 1.00 0.00 H new ATOM 551 N ALA A 39 1.470 -3.072 10.526 1.00 0.00 N ATOM 552 CA ALA A 39 0.706 -4.227 10.088 1.00 0.00 C ATOM 553 C ALA A 39 -0.442 -3.763 9.190 1.00 0.00 C ATOM 554 O ALA A 39 -1.582 -4.194 9.361 1.00 0.00 O ATOM 555 CB ALA A 39 0.213 -5.006 11.309 1.00 0.00 C ATOM 0 H ALA A 39 2.385 -2.975 10.087 1.00 0.00 H new ATOM 0 HA ALA A 39 1.331 -4.901 9.502 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.360 -5.873 10.980 1.00 0.00 H new ATOM 0 HB2 ALA A 39 1.068 -5.338 11.898 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.420 -4.362 11.920 1.00 0.00 H new ATOM 561 N ASP A 40 -0.103 -2.890 8.253 1.00 0.00 N ATOM 562 CA ASP A 40 -1.091 -2.363 7.328 1.00 0.00 C ATOM 563 C ASP A 40 -0.816 -2.913 5.926 1.00 0.00 C ATOM 564 O ASP A 40 0.313 -2.851 5.442 1.00 0.00 O ATOM 565 CB ASP A 40 -1.022 -0.836 7.258 1.00 0.00 C ATOM 566 CG ASP A 40 -1.691 -0.105 8.424 1.00 0.00 C ATOM 567 OD1 ASP A 40 -1.773 -0.721 9.508 1.00 0.00 O ATOM 568 OD2 ASP A 40 -2.106 1.053 8.204 1.00 0.00 O ATOM 0 H ASP A 40 0.843 -2.534 8.115 1.00 0.00 H new ATOM 0 HA ASP A 40 -2.077 -2.664 7.682 1.00 0.00 H new ATOM 0 HB2 ASP A 40 0.025 -0.536 7.213 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.487 -0.508 6.328 1.00 0.00 H new ATOM 573 N VAL A 41 -1.868 -3.438 5.315 1.00 0.00 N ATOM 574 CA VAL A 41 -1.754 -3.998 3.979 1.00 0.00 C ATOM 575 C VAL A 41 -1.999 -2.896 2.946 1.00 0.00 C ATOM 576 O VAL A 41 -2.887 -2.063 3.121 1.00 0.00 O ATOM 577 CB VAL A 41 -2.709 -5.184 3.826 1.00 0.00 C ATOM 578 CG1 VAL A 41 -2.520 -5.868 2.470 1.00 0.00 C ATOM 579 CG2 VAL A 41 -2.532 -6.181 4.972 1.00 0.00 C ATOM 0 H VAL A 41 -2.803 -3.487 5.720 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.748 -4.383 3.811 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.729 -4.801 3.869 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.210 -6.707 2.387 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.719 -5.154 1.671 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.496 -6.231 2.385 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.222 -7.014 4.839 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.508 -6.555 4.974 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.739 -5.686 5.921 1.00 0.00 H new ATOM 589 N VAL A 42 -1.196 -2.928 1.892 1.00 0.00 N ATOM 590 CA VAL A 42 -1.314 -1.942 0.831 1.00 0.00 C ATOM 591 C VAL A 42 -1.174 -2.638 -0.524 1.00 0.00 C ATOM 592 O VAL A 42 -0.249 -3.422 -0.730 1.00 0.00 O ATOM 593 CB VAL A 42 -0.290 -0.825 1.038 1.00 0.00 C ATOM 594 CG1 VAL A 42 -0.212 0.082 -0.191 1.00 0.00 C ATOM 595 CG2 VAL A 42 -0.607 -0.016 2.298 1.00 0.00 C ATOM 0 H VAL A 42 -0.461 -3.621 1.750 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.297 -1.472 0.855 1.00 0.00 H new ATOM 0 HB VAL A 42 0.687 -1.288 1.175 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.523 0.868 -0.017 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.084 -0.507 -1.059 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.188 0.532 -0.373 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.136 0.771 2.421 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.597 0.431 2.204 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.587 -0.673 3.167 1.00 0.00 H new ATOM 605 N LEU A 43 -2.107 -2.327 -1.412 1.00 0.00 N ATOM 606 CA LEU A 43 -2.099 -2.913 -2.742 1.00 0.00 C ATOM 607 C LEU A 43 -1.213 -2.070 -3.661 1.00 0.00 C ATOM 608 O LEU A 43 -1.570 -0.948 -4.015 1.00 0.00 O ATOM 609 CB LEU A 43 -3.528 -3.090 -3.258 1.00 0.00 C ATOM 610 CG LEU A 43 -3.678 -3.878 -4.561 1.00 0.00 C ATOM 611 CD1 LEU A 43 -3.806 -5.377 -4.282 1.00 0.00 C ATOM 612 CD2 LEU A 43 -4.848 -3.347 -5.391 1.00 0.00 C ATOM 0 H LEU A 43 -2.873 -1.677 -1.237 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.669 -3.914 -2.715 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.113 -3.589 -2.485 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.966 -2.102 -3.401 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.774 -3.736 -5.153 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.911 -5.915 -5.224 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.915 -5.728 -3.762 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.683 -5.558 -3.661 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.933 -3.924 -6.312 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.771 -3.439 -4.819 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.675 -2.299 -5.635 1.00 0.00 H new ATOM 624 N VAL A 44 -0.073 -2.643 -4.020 1.00 0.00 N ATOM 625 CA VAL A 44 0.867 -1.958 -4.891 1.00 0.00 C ATOM 626 C VAL A 44 0.188 -1.655 -6.229 1.00 0.00 C ATOM 627 O VAL A 44 -0.548 -2.486 -6.758 1.00 0.00 O ATOM 628 CB VAL A 44 2.142 -2.791 -5.043 1.00 0.00 C ATOM 629 CG1 VAL A 44 3.100 -2.148 -6.048 1.00 0.00 C ATOM 630 CG2 VAL A 44 2.824 -2.999 -3.690 1.00 0.00 C ATOM 0 H VAL A 44 0.221 -3.574 -3.723 1.00 0.00 H new ATOM 0 HA VAL A 44 1.167 -1.005 -4.455 1.00 0.00 H new ATOM 0 HB VAL A 44 1.860 -3.770 -5.430 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.998 -2.760 -6.137 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.612 -2.075 -7.020 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.373 -1.151 -5.703 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.727 -3.594 -3.825 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.087 -2.031 -3.263 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.144 -3.520 -3.016 1.00 0.00 H new ATOM 640 N LEU A 45 0.460 -0.462 -6.737 1.00 0.00 N ATOM 641 CA LEU A 45 -0.115 -0.038 -8.002 1.00 0.00 C ATOM 642 C LEU A 45 1.011 0.244 -9.000 1.00 0.00 C ATOM 643 O LEU A 45 0.903 -0.100 -10.176 1.00 0.00 O ATOM 644 CB LEU A 45 -1.061 1.145 -7.791 1.00 0.00 C ATOM 645 CG LEU A 45 -2.398 0.824 -7.121 1.00 0.00 C ATOM 646 CD1 LEU A 45 -2.976 2.060 -6.429 1.00 0.00 C ATOM 647 CD2 LEU A 45 -3.382 0.216 -8.123 1.00 0.00 C ATOM 0 H LEU A 45 1.071 0.225 -6.295 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.727 -0.833 -8.428 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.546 1.893 -7.189 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.263 1.600 -8.761 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.221 0.076 -6.348 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.926 1.804 -5.961 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.279 2.410 -5.667 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.135 2.848 -7.165 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.324 -0.003 -7.621 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.559 0.923 -8.934 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.965 -0.706 -8.529 1.00 0.00 H new ATOM 659 N GLN A 46 2.064 0.867 -8.493 1.00 0.00 N ATOM 660 CA GLN A 46 3.208 1.200 -9.325 1.00 0.00 C ATOM 661 C GLN A 46 4.509 0.997 -8.545 1.00 0.00 C ATOM 662 O GLN A 46 4.698 1.587 -7.482 1.00 0.00 O ATOM 663 CB GLN A 46 3.104 2.631 -9.854 1.00 0.00 C ATOM 664 CG GLN A 46 2.609 2.646 -11.302 1.00 0.00 C ATOM 665 CD GLN A 46 1.330 3.476 -11.436 1.00 0.00 C ATOM 666 OE1 GLN A 46 1.346 4.626 -11.843 1.00 0.00 O ATOM 667 NE2 GLN A 46 0.226 2.831 -11.072 1.00 0.00 N ATOM 0 H GLN A 46 2.149 1.150 -7.517 1.00 0.00 H new ATOM 0 HA GLN A 46 3.214 0.530 -10.185 1.00 0.00 H new ATOM 0 HB2 GLN A 46 2.422 3.206 -9.227 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.078 3.116 -9.794 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.383 3.057 -11.950 1.00 0.00 H new ATOM 0 HG3 GLN A 46 2.421 1.626 -11.637 1.00 0.00 H new ATOM 0 HE21 GLN A 46 0.284 1.868 -10.740 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -0.679 3.299 -11.125 1.00 0.00 H new ATOM 676 N GLN A 47 5.372 0.161 -9.103 1.00 0.00 N ATOM 677 CA GLN A 47 6.649 -0.126 -8.473 1.00 0.00 C ATOM 678 C GLN A 47 7.764 0.681 -9.140 1.00 0.00 C ATOM 679 O GLN A 47 8.087 0.456 -10.305 1.00 0.00 O ATOM 680 CB GLN A 47 6.957 -1.625 -8.515 1.00 0.00 C ATOM 681 CG GLN A 47 6.427 -2.329 -7.265 1.00 0.00 C ATOM 682 CD GLN A 47 7.335 -3.494 -6.866 1.00 0.00 C ATOM 683 OE1 GLN A 47 8.446 -3.316 -6.395 1.00 0.00 O ATOM 684 NE2 GLN A 47 6.801 -4.694 -7.079 1.00 0.00 N ATOM 0 H GLN A 47 5.212 -0.327 -9.984 1.00 0.00 H new ATOM 0 HA GLN A 47 6.589 0.170 -7.426 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.507 -2.067 -9.404 1.00 0.00 H new ATOM 0 HB3 GLN A 47 8.034 -1.777 -8.593 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.361 -1.617 -6.443 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.418 -2.697 -7.451 1.00 0.00 H new ATOM 0 HE21 GLN A 47 5.865 -4.772 -7.477 1.00 0.00 H new ATOM 0 HE22 GLN A 47 7.328 -5.535 -6.845 1.00 0.00 H new ATOM 693 N GLU A 48 8.322 1.606 -8.372 1.00 0.00 N ATOM 694 CA GLU A 48 9.394 2.448 -8.874 1.00 0.00 C ATOM 695 C GLU A 48 10.652 2.272 -8.021 1.00 0.00 C ATOM 696 O GLU A 48 10.660 2.620 -6.841 1.00 0.00 O ATOM 697 CB GLU A 48 8.963 3.916 -8.919 1.00 0.00 C ATOM 698 CG GLU A 48 9.652 4.654 -10.069 1.00 0.00 C ATOM 699 CD GLU A 48 9.813 6.142 -9.747 1.00 0.00 C ATOM 700 OE1 GLU A 48 8.870 6.897 -10.068 1.00 0.00 O ATOM 701 OE2 GLU A 48 10.875 6.489 -9.187 1.00 0.00 O ATOM 0 H GLU A 48 8.051 1.790 -7.406 1.00 0.00 H new ATOM 0 HA GLU A 48 9.624 2.139 -9.894 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.881 3.978 -9.039 1.00 0.00 H new ATOM 0 HB3 GLU A 48 9.207 4.400 -7.973 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.630 4.211 -10.256 1.00 0.00 H new ATOM 0 HG3 GLU A 48 9.069 4.537 -10.982 1.00 0.00 H new ATOM 708 N ASP A 49 11.685 1.732 -8.651 1.00 0.00 N ATOM 709 CA ASP A 49 12.945 1.505 -7.964 1.00 0.00 C ATOM 710 C ASP A 49 13.228 2.680 -7.026 1.00 0.00 C ATOM 711 O ASP A 49 13.640 3.750 -7.472 1.00 0.00 O ATOM 712 CB ASP A 49 14.104 1.404 -8.958 1.00 0.00 C ATOM 713 CG ASP A 49 15.170 0.366 -8.605 1.00 0.00 C ATOM 714 OD1 ASP A 49 14.775 -0.797 -8.373 1.00 0.00 O ATOM 715 OD2 ASP A 49 16.357 0.758 -8.575 1.00 0.00 O ATOM 0 H ASP A 49 11.675 1.445 -9.630 1.00 0.00 H new ATOM 0 HA ASP A 49 12.863 0.570 -7.409 1.00 0.00 H new ATOM 0 HB2 ASP A 49 13.699 1.167 -9.942 1.00 0.00 H new ATOM 0 HB3 ASP A 49 14.581 2.381 -9.037 1.00 0.00 H new ATOM 720 N GLY A 50 12.996 2.441 -5.744 1.00 0.00 N ATOM 721 CA GLY A 50 13.221 3.467 -4.739 1.00 0.00 C ATOM 722 C GLY A 50 11.979 3.659 -3.865 1.00 0.00 C ATOM 723 O GLY A 50 12.090 3.827 -2.652 1.00 0.00 O ATOM 0 H GLY A 50 12.655 1.552 -5.378 1.00 0.00 H new ATOM 0 HA2 GLY A 50 14.070 3.190 -4.115 1.00 0.00 H new ATOM 0 HA3 GLY A 50 13.477 4.408 -5.226 1.00 0.00 H new ATOM 727 N TRP A 51 10.826 3.630 -4.516 1.00 0.00 N ATOM 728 CA TRP A 51 9.565 3.799 -3.814 1.00 0.00 C ATOM 729 C TRP A 51 8.539 2.862 -4.453 1.00 0.00 C ATOM 730 O TRP A 51 8.594 2.600 -5.653 1.00 0.00 O ATOM 731 CB TRP A 51 9.125 5.264 -3.824 1.00 0.00 C ATOM 732 CG TRP A 51 9.951 6.169 -2.907 1.00 0.00 C ATOM 733 CD1 TRP A 51 11.197 6.623 -3.102 1.00 0.00 C ATOM 734 CD2 TRP A 51 9.537 6.714 -1.637 1.00 0.00 C ATOM 735 NE1 TRP A 51 11.614 7.418 -2.054 1.00 0.00 N ATOM 736 CE2 TRP A 51 10.573 7.475 -1.135 1.00 0.00 C ATOM 737 CE3 TRP A 51 8.327 6.569 -0.936 1.00 0.00 C ATOM 738 CZ2 TRP A 51 10.504 8.151 0.090 1.00 0.00 C ATOM 739 CZ3 TRP A 51 8.274 7.251 0.286 1.00 0.00 C ATOM 740 CH2 TRP A 51 9.308 8.021 0.806 1.00 0.00 C ATOM 0 H TRP A 51 10.738 3.492 -5.523 1.00 0.00 H new ATOM 0 HA TRP A 51 9.670 3.534 -2.762 1.00 0.00 H new ATOM 0 HB2 TRP A 51 9.187 5.644 -4.844 1.00 0.00 H new ATOM 0 HB3 TRP A 51 8.078 5.320 -3.526 1.00 0.00 H new ATOM 0 HD1 TRP A 51 11.799 6.395 -3.970 1.00 0.00 H new ATOM 0 HE1 TRP A 51 12.520 7.879 -1.969 1.00 0.00 H new ATOM 0 HE3 TRP A 51 7.504 5.979 -1.310 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 11.329 8.741 0.462 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 7.366 7.173 0.865 1.00 0.00 H new ATOM 0 HH2 TRP A 51 9.189 8.517 1.758 1.00 0.00 H new ATOM 751 N LEU A 52 7.625 2.382 -3.621 1.00 0.00 N ATOM 752 CA LEU A 52 6.587 1.480 -4.090 1.00 0.00 C ATOM 753 C LEU A 52 5.218 2.130 -3.880 1.00 0.00 C ATOM 754 O LEU A 52 4.863 2.490 -2.759 1.00 0.00 O ATOM 755 CB LEU A 52 6.726 0.110 -3.421 1.00 0.00 C ATOM 756 CG LEU A 52 8.156 -0.396 -3.220 1.00 0.00 C ATOM 757 CD1 LEU A 52 8.849 -0.630 -4.563 1.00 0.00 C ATOM 758 CD2 LEU A 52 8.952 0.553 -2.322 1.00 0.00 C ATOM 0 H LEU A 52 7.582 2.601 -2.626 1.00 0.00 H new ATOM 0 HA LEU A 52 6.694 1.300 -5.160 1.00 0.00 H new ATOM 0 HB2 LEU A 52 6.236 0.151 -2.448 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.184 -0.622 -4.020 1.00 0.00 H new ATOM 0 HG LEU A 52 8.109 -1.358 -2.710 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.864 -0.989 -4.391 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.293 -1.373 -5.135 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.885 0.305 -5.122 1.00 0.00 H new ATOM 0 HD21 LEU A 52 9.965 0.170 -2.195 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.992 1.541 -2.781 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.467 0.625 -1.349 1.00 0.00 H new ATOM 770 N TYR A 53 4.487 2.262 -4.977 1.00 0.00 N ATOM 771 CA TYR A 53 3.165 2.864 -4.927 1.00 0.00 C ATOM 772 C TYR A 53 2.080 1.792 -4.805 1.00 0.00 C ATOM 773 O TYR A 53 2.198 0.714 -5.386 1.00 0.00 O ATOM 774 CB TYR A 53 2.988 3.602 -6.255 1.00 0.00 C ATOM 775 CG TYR A 53 1.725 4.462 -6.325 1.00 0.00 C ATOM 776 CD1 TYR A 53 1.580 5.546 -5.482 1.00 0.00 C ATOM 777 CD2 TYR A 53 0.730 4.155 -7.231 1.00 0.00 C ATOM 778 CE1 TYR A 53 0.391 6.355 -5.548 1.00 0.00 C ATOM 779 CE2 TYR A 53 -0.459 4.965 -7.296 1.00 0.00 C ATOM 780 CZ TYR A 53 -0.570 6.025 -6.452 1.00 0.00 C ATOM 781 OH TYR A 53 -1.693 6.790 -6.514 1.00 0.00 O ATOM 0 H TYR A 53 4.785 1.963 -5.906 1.00 0.00 H new ATOM 0 HA TYR A 53 3.076 3.526 -4.066 1.00 0.00 H new ATOM 0 HB2 TYR A 53 3.857 4.237 -6.425 1.00 0.00 H new ATOM 0 HB3 TYR A 53 2.964 2.872 -7.064 1.00 0.00 H new ATOM 0 HD1 TYR A 53 2.358 5.787 -4.773 1.00 0.00 H new ATOM 0 HD2 TYR A 53 0.843 3.308 -7.891 1.00 0.00 H new ATOM 0 HE1 TYR A 53 0.265 7.205 -4.894 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.245 4.735 -8.000 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.291 6.437 -7.205 1.00 0.00 H new ATOM 791 N GLY A 54 1.047 2.126 -4.045 1.00 0.00 N ATOM 792 CA GLY A 54 -0.058 1.206 -3.838 1.00 0.00 C ATOM 793 C GLY A 54 -1.259 1.922 -3.215 1.00 0.00 C ATOM 794 O GLY A 54 -1.263 3.146 -3.098 1.00 0.00 O ATOM 0 H GLY A 54 0.952 3.021 -3.565 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.349 0.761 -4.790 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.260 0.390 -3.189 1.00 0.00 H new ATOM 798 N GLU A 55 -2.248 1.128 -2.833 1.00 0.00 N ATOM 799 CA GLU A 55 -3.451 1.670 -2.225 1.00 0.00 C ATOM 800 C GLU A 55 -3.738 0.968 -0.897 1.00 0.00 C ATOM 801 O GLU A 55 -3.746 -0.261 -0.830 1.00 0.00 O ATOM 802 CB GLU A 55 -4.645 1.556 -3.175 1.00 0.00 C ATOM 803 CG GLU A 55 -5.945 1.949 -2.472 1.00 0.00 C ATOM 804 CD GLU A 55 -6.939 0.786 -2.467 1.00 0.00 C ATOM 805 OE1 GLU A 55 -7.532 0.542 -3.540 1.00 0.00 O ATOM 806 OE2 GLU A 55 -7.084 0.168 -1.390 1.00 0.00 O ATOM 0 H GLU A 55 -2.241 0.113 -2.933 1.00 0.00 H new ATOM 0 HA GLU A 55 -3.288 2.729 -2.025 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.487 2.198 -4.041 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.723 0.534 -3.546 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -5.731 2.253 -1.448 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -6.388 2.809 -2.974 1.00 0.00 H new ATOM 813 N ARG A 56 -3.966 1.777 0.127 1.00 0.00 N ATOM 814 CA ARG A 56 -4.253 1.248 1.450 1.00 0.00 C ATOM 815 C ARG A 56 -5.644 0.611 1.476 1.00 0.00 C ATOM 816 O ARG A 56 -6.650 1.301 1.320 1.00 0.00 O ATOM 817 CB ARG A 56 -4.183 2.348 2.510 1.00 0.00 C ATOM 818 CG ARG A 56 -3.860 1.764 3.886 1.00 0.00 C ATOM 819 CD ARG A 56 -3.321 2.843 4.828 1.00 0.00 C ATOM 820 NE ARG A 56 -4.177 4.049 4.758 1.00 0.00 N ATOM 821 CZ ARG A 56 -4.260 4.968 5.729 1.00 0.00 C ATOM 822 NH1 ARG A 56 -3.540 4.825 6.850 1.00 0.00 N ATOM 823 NH2 ARG A 56 -5.064 6.030 5.580 1.00 0.00 N ATOM 0 H ARG A 56 -3.958 2.795 0.067 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.500 0.493 1.676 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -3.422 3.077 2.233 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -5.134 2.880 2.551 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.757 1.317 4.315 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.125 0.966 3.783 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.294 2.465 5.850 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.297 3.097 4.555 1.00 0.00 H new ATOM 0 HE ARG A 56 -4.739 4.189 3.918 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.929 4.016 6.964 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.603 5.525 7.589 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -5.613 6.138 4.727 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -5.127 6.730 6.320 1.00 0.00 H new ATOM 837 N LEU A 57 -5.656 -0.699 1.676 1.00 0.00 N ATOM 838 CA LEU A 57 -6.906 -1.437 1.725 1.00 0.00 C ATOM 839 C LEU A 57 -7.710 -0.989 2.947 1.00 0.00 C ATOM 840 O LEU A 57 -8.888 -1.319 3.075 1.00 0.00 O ATOM 841 CB LEU A 57 -6.642 -2.944 1.682 1.00 0.00 C ATOM 842 CG LEU A 57 -6.119 -3.495 0.354 1.00 0.00 C ATOM 843 CD1 LEU A 57 -6.912 -2.929 -0.825 1.00 0.00 C ATOM 844 CD2 LEU A 57 -4.617 -3.242 0.209 1.00 0.00 C ATOM 0 H LEU A 57 -4.819 -1.268 1.806 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.512 -1.218 0.846 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.922 -3.189 2.463 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.569 -3.462 1.928 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.265 -4.575 0.351 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.520 -3.337 -1.757 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -7.962 -3.203 -0.722 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -6.820 -1.843 -0.837 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.271 -3.643 -0.743 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.424 -2.170 0.243 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.085 -3.732 1.024 1.00 0.00 H new ATOM 856 N ARG A 58 -7.041 -0.244 3.815 1.00 0.00 N ATOM 857 CA ARG A 58 -7.679 0.253 5.022 1.00 0.00 C ATOM 858 C ARG A 58 -8.853 1.167 4.665 1.00 0.00 C ATOM 859 O ARG A 58 -10.004 0.847 4.955 1.00 0.00 O ATOM 860 CB ARG A 58 -6.685 1.027 5.891 1.00 0.00 C ATOM 861 CG ARG A 58 -7.315 1.416 7.230 1.00 0.00 C ATOM 862 CD ARG A 58 -6.240 1.709 8.278 1.00 0.00 C ATOM 863 NE ARG A 58 -6.866 2.221 9.517 1.00 0.00 N ATOM 864 CZ ARG A 58 -6.215 2.927 10.452 1.00 0.00 C ATOM 865 NH1 ARG A 58 -4.915 3.210 10.293 1.00 0.00 N ATOM 866 NH2 ARG A 58 -6.865 3.350 11.545 1.00 0.00 N ATOM 0 H ARG A 58 -6.064 0.027 3.706 1.00 0.00 H new ATOM 0 HA ARG A 58 -8.042 -0.608 5.583 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -5.798 0.418 6.066 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -6.358 1.924 5.365 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -7.947 2.294 7.097 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -7.959 0.610 7.581 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -5.675 0.802 8.494 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.532 2.441 7.889 1.00 0.00 H new ATOM 0 HE ARG A 58 -7.855 2.024 9.669 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -4.421 2.888 9.461 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -4.419 3.747 11.004 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -7.855 3.135 11.665 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -6.370 3.887 12.257 1.00 0.00 H new ATOM 880 N ASP A 59 -8.520 2.288 4.041 1.00 0.00 N ATOM 881 CA ASP A 59 -9.532 3.250 3.641 1.00 0.00 C ATOM 882 C ASP A 59 -9.612 3.295 2.114 1.00 0.00 C ATOM 883 O ASP A 59 -10.649 3.646 1.553 1.00 0.00 O ATOM 884 CB ASP A 59 -9.184 4.655 4.138 1.00 0.00 C ATOM 885 CG ASP A 59 -9.726 5.003 5.525 1.00 0.00 C ATOM 886 OD1 ASP A 59 -10.232 4.071 6.187 1.00 0.00 O ATOM 887 OD2 ASP A 59 -9.623 6.193 5.893 1.00 0.00 O ATOM 0 H ASP A 59 -7.564 2.551 3.803 1.00 0.00 H new ATOM 0 HA ASP A 59 -10.482 2.939 4.075 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -8.099 4.761 4.151 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -9.567 5.382 3.422 1.00 0.00 H new ATOM 892 N GLY A 60 -8.503 2.936 1.484 1.00 0.00 N ATOM 893 CA GLY A 60 -8.434 2.931 0.033 1.00 0.00 C ATOM 894 C GLY A 60 -7.522 4.049 -0.477 1.00 0.00 C ATOM 895 O GLY A 60 -7.411 4.264 -1.683 1.00 0.00 O ATOM 0 H GLY A 60 -7.645 2.646 1.953 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -8.062 1.967 -0.314 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -9.434 3.055 -0.383 1.00 0.00 H new ATOM 899 N GLU A 61 -6.891 4.731 0.468 1.00 0.00 N ATOM 900 CA GLU A 61 -5.991 5.821 0.130 1.00 0.00 C ATOM 901 C GLU A 61 -4.839 5.309 -0.737 1.00 0.00 C ATOM 902 O GLU A 61 -4.188 4.324 -0.392 1.00 0.00 O ATOM 903 CB GLU A 61 -5.465 6.509 1.391 1.00 0.00 C ATOM 904 CG GLU A 61 -6.310 7.735 1.740 1.00 0.00 C ATOM 905 CD GLU A 61 -7.790 7.485 1.439 1.00 0.00 C ATOM 906 OE1 GLU A 61 -8.472 6.960 2.346 1.00 0.00 O ATOM 907 OE2 GLU A 61 -8.204 7.825 0.310 1.00 0.00 O ATOM 0 H GLU A 61 -6.985 4.550 1.467 1.00 0.00 H new ATOM 0 HA GLU A 61 -6.549 6.562 -0.442 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -5.476 5.806 2.224 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -4.428 6.809 1.240 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -6.186 7.978 2.795 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -5.960 8.596 1.171 1.00 0.00 H new ATOM 914 N THR A 62 -4.623 6.001 -1.846 1.00 0.00 N ATOM 915 CA THR A 62 -3.561 5.628 -2.765 1.00 0.00 C ATOM 916 C THR A 62 -2.416 6.641 -2.695 1.00 0.00 C ATOM 917 O THR A 62 -2.589 7.805 -3.053 1.00 0.00 O ATOM 918 CB THR A 62 -4.170 5.495 -4.163 1.00 0.00 C ATOM 919 OG1 THR A 62 -5.480 4.989 -3.924 1.00 0.00 O ATOM 920 CG2 THR A 62 -3.494 4.403 -4.994 1.00 0.00 C ATOM 0 H THR A 62 -5.165 6.817 -2.129 1.00 0.00 H new ATOM 0 HA THR A 62 -3.122 4.668 -2.494 1.00 0.00 H new ATOM 0 HB THR A 62 -4.092 6.449 -4.685 1.00 0.00 H new ATOM 0 HG1 THR A 62 -5.947 4.874 -4.778 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.964 4.350 -5.976 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.436 4.637 -5.110 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.600 3.443 -4.489 1.00 0.00 H new ATOM 928 N GLY A 63 -1.271 6.161 -2.232 1.00 0.00 N ATOM 929 CA GLY A 63 -0.098 7.009 -2.111 1.00 0.00 C ATOM 930 C GLY A 63 1.183 6.214 -2.369 1.00 0.00 C ATOM 931 O GLY A 63 1.126 5.040 -2.734 1.00 0.00 O ATOM 0 H GLY A 63 -1.131 5.195 -1.936 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -0.167 7.834 -2.820 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.063 7.447 -1.114 1.00 0.00 H new ATOM 935 N TRP A 64 2.308 6.884 -2.169 1.00 0.00 N ATOM 936 CA TRP A 64 3.601 6.254 -2.376 1.00 0.00 C ATOM 937 C TRP A 64 4.101 5.746 -1.022 1.00 0.00 C ATOM 938 O TRP A 64 3.971 6.434 -0.010 1.00 0.00 O ATOM 939 CB TRP A 64 4.579 7.218 -3.051 1.00 0.00 C ATOM 940 CG TRP A 64 4.335 7.404 -4.550 1.00 0.00 C ATOM 941 CD1 TRP A 64 3.558 8.314 -5.153 1.00 0.00 C ATOM 942 CD2 TRP A 64 4.906 6.618 -5.617 1.00 0.00 C ATOM 943 NE1 TRP A 64 3.587 8.174 -6.525 1.00 0.00 N ATOM 944 CE2 TRP A 64 4.432 7.110 -6.817 1.00 0.00 C ATOM 945 CE3 TRP A 64 5.793 5.529 -5.571 1.00 0.00 C ATOM 946 CZ2 TRP A 64 4.790 6.574 -8.059 1.00 0.00 C ATOM 947 CZ3 TRP A 64 6.141 5.004 -6.822 1.00 0.00 C ATOM 948 CH2 TRP A 64 5.673 5.487 -8.038 1.00 0.00 C ATOM 0 H TRP A 64 2.351 7.857 -1.866 1.00 0.00 H new ATOM 0 HA TRP A 64 3.513 5.406 -3.055 1.00 0.00 H new ATOM 0 HB2 TRP A 64 4.514 8.189 -2.560 1.00 0.00 H new ATOM 0 HB3 TRP A 64 5.595 6.853 -2.901 1.00 0.00 H new ATOM 0 HD1 TRP A 64 2.981 9.063 -4.630 1.00 0.00 H new ATOM 0 HE1 TRP A 64 3.081 8.746 -7.201 1.00 0.00 H new ATOM 0 HE3 TRP A 64 6.176 5.128 -4.644 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 4.406 6.977 -8.984 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 6.821 4.165 -6.843 1.00 0.00 H new ATOM 0 HH2 TRP A 64 5.989 5.026 -8.962 1.00 0.00 H new ATOM 959 N PHE A 65 4.663 4.547 -1.047 1.00 0.00 N ATOM 960 CA PHE A 65 5.184 3.939 0.166 1.00 0.00 C ATOM 961 C PHE A 65 6.480 3.177 -0.115 1.00 0.00 C ATOM 962 O PHE A 65 6.553 2.397 -1.064 1.00 0.00 O ATOM 963 CB PHE A 65 4.124 2.953 0.662 1.00 0.00 C ATOM 964 CG PHE A 65 4.143 1.604 -0.059 1.00 0.00 C ATOM 965 CD1 PHE A 65 5.141 0.714 0.189 1.00 0.00 C ATOM 966 CD2 PHE A 65 3.162 1.295 -0.949 1.00 0.00 C ATOM 967 CE1 PHE A 65 5.158 -0.538 -0.481 1.00 0.00 C ATOM 968 CE2 PHE A 65 3.179 0.043 -1.619 1.00 0.00 C ATOM 969 CZ PHE A 65 4.177 -0.847 -1.370 1.00 0.00 C ATOM 0 H PHE A 65 4.769 3.980 -1.888 1.00 0.00 H new ATOM 0 HA PHE A 65 5.401 4.710 0.905 1.00 0.00 H new ATOM 0 HB2 PHE A 65 4.270 2.785 1.729 1.00 0.00 H new ATOM 0 HB3 PHE A 65 3.139 3.404 0.542 1.00 0.00 H new ATOM 0 HD1 PHE A 65 5.920 0.959 0.895 1.00 0.00 H new ATOM 0 HD2 PHE A 65 2.370 2.002 -1.146 1.00 0.00 H new ATOM 0 HE1 PHE A 65 5.950 -1.245 -0.284 1.00 0.00 H new ATOM 0 HE2 PHE A 65 2.400 -0.202 -2.326 1.00 0.00 H new ATOM 0 HZ PHE A 65 4.190 -1.800 -1.879 1.00 0.00 H new ATOM 979 N PRO A 66 7.498 3.435 0.749 1.00 0.00 N ATOM 980 CA PRO A 66 8.788 2.783 0.603 1.00 0.00 C ATOM 981 C PRO A 66 8.721 1.326 1.064 1.00 0.00 C ATOM 982 O PRO A 66 7.884 0.971 1.892 1.00 0.00 O ATOM 983 CB PRO A 66 9.750 3.623 1.427 1.00 0.00 C ATOM 984 CG PRO A 66 8.884 4.439 2.375 1.00 0.00 C ATOM 985 CD PRO A 66 7.448 4.353 1.884 1.00 0.00 C ATOM 0 HA PRO A 66 9.117 2.729 -0.435 1.00 0.00 H new ATOM 0 HB2 PRO A 66 10.446 2.991 1.979 1.00 0.00 H new ATOM 0 HB3 PRO A 66 10.348 4.272 0.788 1.00 0.00 H new ATOM 0 HG2 PRO A 66 8.964 4.054 3.392 1.00 0.00 H new ATOM 0 HG3 PRO A 66 9.218 5.476 2.400 1.00 0.00 H new ATOM 0 HD2 PRO A 66 6.784 3.981 2.665 1.00 0.00 H new ATOM 0 HD3 PRO A 66 7.072 5.332 1.585 1.00 0.00 H new ATOM 993 N GLU A 67 9.614 0.521 0.508 1.00 0.00 N ATOM 994 CA GLU A 67 9.667 -0.890 0.851 1.00 0.00 C ATOM 995 C GLU A 67 10.288 -1.076 2.237 1.00 0.00 C ATOM 996 O GLU A 67 9.895 -1.972 2.983 1.00 0.00 O ATOM 997 CB GLU A 67 10.437 -1.684 -0.206 1.00 0.00 C ATOM 998 CG GLU A 67 11.721 -0.957 -0.609 1.00 0.00 C ATOM 999 CD GLU A 67 12.908 -1.922 -0.647 1.00 0.00 C ATOM 1000 OE1 GLU A 67 12.885 -2.817 -1.519 1.00 0.00 O ATOM 1001 OE2 GLU A 67 13.812 -1.742 0.197 1.00 0.00 O ATOM 0 H GLU A 67 10.307 0.819 -0.178 1.00 0.00 H new ATOM 0 HA GLU A 67 8.648 -1.276 0.876 1.00 0.00 H new ATOM 0 HB2 GLU A 67 10.681 -2.673 0.183 1.00 0.00 H new ATOM 0 HB3 GLU A 67 9.808 -1.833 -1.084 1.00 0.00 H new ATOM 0 HG2 GLU A 67 11.590 -0.497 -1.588 1.00 0.00 H new ATOM 0 HG3 GLU A 67 11.924 -0.152 0.097 1.00 0.00 H new ATOM 1008 N ASP A 68 11.249 -0.215 2.540 1.00 0.00 N ATOM 1009 CA ASP A 68 11.929 -0.273 3.823 1.00 0.00 C ATOM 1010 C ASP A 68 10.890 -0.266 4.946 1.00 0.00 C ATOM 1011 O ASP A 68 11.169 -0.717 6.056 1.00 0.00 O ATOM 1012 CB ASP A 68 12.843 0.938 4.017 1.00 0.00 C ATOM 1013 CG ASP A 68 14.324 0.607 4.206 1.00 0.00 C ATOM 1014 OD1 ASP A 68 14.604 -0.291 5.030 1.00 0.00 O ATOM 1015 OD2 ASP A 68 15.144 1.259 3.524 1.00 0.00 O ATOM 0 H ASP A 68 11.573 0.527 1.919 1.00 0.00 H new ATOM 0 HA ASP A 68 12.527 -1.184 3.847 1.00 0.00 H new ATOM 0 HB2 ASP A 68 12.740 1.594 3.152 1.00 0.00 H new ATOM 0 HB3 ASP A 68 12.498 1.499 4.885 1.00 0.00 H new ATOM 1020 N PHE A 69 9.714 0.249 4.619 1.00 0.00 N ATOM 1021 CA PHE A 69 8.633 0.320 5.586 1.00 0.00 C ATOM 1022 C PHE A 69 7.528 -0.683 5.249 1.00 0.00 C ATOM 1023 O PHE A 69 6.399 -0.551 5.720 1.00 0.00 O ATOM 1024 CB PHE A 69 8.059 1.736 5.513 1.00 0.00 C ATOM 1025 CG PHE A 69 9.010 2.820 6.025 1.00 0.00 C ATOM 1026 CD1 PHE A 69 10.084 3.191 5.278 1.00 0.00 C ATOM 1027 CD2 PHE A 69 8.781 3.413 7.227 1.00 0.00 C ATOM 1028 CE1 PHE A 69 10.966 4.197 5.753 1.00 0.00 C ATOM 1029 CE2 PHE A 69 9.663 4.419 7.703 1.00 0.00 C ATOM 1030 CZ PHE A 69 10.737 4.790 6.955 1.00 0.00 C ATOM 0 H PHE A 69 9.486 0.621 3.697 1.00 0.00 H new ATOM 0 HA PHE A 69 9.009 0.084 6.581 1.00 0.00 H new ATOM 0 HB2 PHE A 69 7.795 1.957 4.479 1.00 0.00 H new ATOM 0 HB3 PHE A 69 7.136 1.773 6.092 1.00 0.00 H new ATOM 0 HD1 PHE A 69 10.266 2.720 4.323 1.00 0.00 H new ATOM 0 HD2 PHE A 69 7.928 3.119 7.820 1.00 0.00 H new ATOM 0 HE1 PHE A 69 11.819 4.491 5.160 1.00 0.00 H new ATOM 0 HE2 PHE A 69 9.481 4.889 8.658 1.00 0.00 H new ATOM 0 HZ PHE A 69 11.408 5.556 7.316 1.00 0.00 H new ATOM 1040 N ALA A 70 7.892 -1.664 4.435 1.00 0.00 N ATOM 1041 CA ALA A 70 6.945 -2.689 4.029 1.00 0.00 C ATOM 1042 C ALA A 70 7.689 -4.010 3.821 1.00 0.00 C ATOM 1043 O ALA A 70 8.916 -4.029 3.741 1.00 0.00 O ATOM 1044 CB ALA A 70 6.206 -2.231 2.769 1.00 0.00 C ATOM 0 H ALA A 70 8.829 -1.770 4.046 1.00 0.00 H new ATOM 0 HA ALA A 70 6.197 -2.850 4.805 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.496 -3.000 2.464 1.00 0.00 H new ATOM 0 HB2 ALA A 70 5.671 -1.305 2.978 1.00 0.00 H new ATOM 0 HB3 ALA A 70 6.924 -2.062 1.967 1.00 0.00 H new ATOM 1050 N ARG A 71 6.914 -5.081 3.739 1.00 0.00 N ATOM 1051 CA ARG A 71 7.484 -6.403 3.542 1.00 0.00 C ATOM 1052 C ARG A 71 6.676 -7.180 2.501 1.00 0.00 C ATOM 1053 O ARG A 71 5.533 -7.559 2.753 1.00 0.00 O ATOM 1054 CB ARG A 71 7.508 -7.193 4.853 1.00 0.00 C ATOM 1055 CG ARG A 71 8.859 -7.048 5.556 1.00 0.00 C ATOM 1056 CD ARG A 71 9.241 -8.340 6.282 1.00 0.00 C ATOM 1057 NE ARG A 71 10.162 -9.138 5.444 1.00 0.00 N ATOM 1058 CZ ARG A 71 10.587 -10.369 5.758 1.00 0.00 C ATOM 1059 NH1 ARG A 71 10.177 -10.950 6.894 1.00 0.00 N ATOM 1060 NH2 ARG A 71 11.423 -11.020 4.937 1.00 0.00 N ATOM 0 H ARG A 71 5.896 -5.061 3.805 1.00 0.00 H new ATOM 0 HA ARG A 71 8.507 -6.274 3.190 1.00 0.00 H new ATOM 0 HB2 ARG A 71 6.713 -6.840 5.509 1.00 0.00 H new ATOM 0 HB3 ARG A 71 7.310 -8.246 4.651 1.00 0.00 H new ATOM 0 HG2 ARG A 71 9.628 -6.796 4.826 1.00 0.00 H new ATOM 0 HG3 ARG A 71 8.815 -6.225 6.269 1.00 0.00 H new ATOM 0 HD2 ARG A 71 9.715 -8.105 7.235 1.00 0.00 H new ATOM 0 HD3 ARG A 71 8.345 -8.920 6.506 1.00 0.00 H new ATOM 0 HE ARG A 71 10.494 -8.725 4.572 1.00 0.00 H new ATOM 0 HH11 ARG A 71 9.541 -10.455 7.519 1.00 0.00 H new ATOM 0 HH12 ARG A 71 10.501 -11.887 7.133 1.00 0.00 H new ATOM 0 HH21 ARG A 71 11.736 -10.578 4.073 1.00 0.00 H new ATOM 0 HH22 ARG A 71 11.746 -11.957 5.177 1.00 0.00 H new ATOM 1074 N PHE A 72 7.301 -7.394 1.353 1.00 0.00 N ATOM 1075 CA PHE A 72 6.654 -8.119 0.272 1.00 0.00 C ATOM 1076 C PHE A 72 6.190 -9.500 0.739 1.00 0.00 C ATOM 1077 O PHE A 72 6.998 -10.417 0.877 1.00 0.00 O ATOM 1078 CB PHE A 72 7.695 -8.292 -0.836 1.00 0.00 C ATOM 1079 CG PHE A 72 7.617 -7.229 -1.933 1.00 0.00 C ATOM 1080 CD1 PHE A 72 6.712 -7.356 -2.941 1.00 0.00 C ATOM 1081 CD2 PHE A 72 8.453 -6.157 -1.902 1.00 0.00 C ATOM 1082 CE1 PHE A 72 6.640 -6.369 -3.959 1.00 0.00 C ATOM 1083 CE2 PHE A 72 8.382 -5.170 -2.920 1.00 0.00 C ATOM 1084 CZ PHE A 72 7.477 -5.297 -3.928 1.00 0.00 C ATOM 0 H PHE A 72 8.249 -7.078 1.147 1.00 0.00 H new ATOM 0 HA PHE A 72 5.779 -7.569 -0.074 1.00 0.00 H new ATOM 0 HB2 PHE A 72 8.690 -8.269 -0.392 1.00 0.00 H new ATOM 0 HB3 PHE A 72 7.570 -9.276 -1.288 1.00 0.00 H new ATOM 0 HD1 PHE A 72 6.048 -8.208 -2.967 1.00 0.00 H new ATOM 0 HD2 PHE A 72 9.172 -6.056 -1.102 1.00 0.00 H new ATOM 0 HE1 PHE A 72 5.921 -6.469 -4.758 1.00 0.00 H new ATOM 0 HE2 PHE A 72 9.046 -4.319 -2.894 1.00 0.00 H new ATOM 0 HZ PHE A 72 7.423 -4.547 -4.703 1.00 0.00 H new ATOM 1094 N ILE A 73 4.889 -9.605 0.970 1.00 0.00 N ATOM 1095 CA ILE A 73 4.308 -10.859 1.419 1.00 0.00 C ATOM 1096 C ILE A 73 4.655 -11.964 0.419 1.00 0.00 C ATOM 1097 O ILE A 73 5.231 -12.985 0.791 1.00 0.00 O ATOM 1098 CB ILE A 73 2.806 -10.697 1.659 1.00 0.00 C ATOM 1099 CG1 ILE A 73 2.529 -9.584 2.672 1.00 0.00 C ATOM 1100 CG2 ILE A 73 2.171 -12.024 2.079 1.00 0.00 C ATOM 1101 CD1 ILE A 73 1.059 -9.581 3.096 1.00 0.00 C ATOM 0 H ILE A 73 4.221 -8.842 0.855 1.00 0.00 H new ATOM 0 HA ILE A 73 4.732 -11.153 2.379 1.00 0.00 H new ATOM 0 HB ILE A 73 2.341 -10.400 0.719 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.163 -9.719 3.548 1.00 0.00 H new ATOM 0 HG13 ILE A 73 2.787 -8.619 2.237 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.103 -11.880 2.243 1.00 0.00 H new ATOM 0 HG22 ILE A 73 2.321 -12.764 1.293 1.00 0.00 H new ATOM 0 HG23 ILE A 73 2.636 -12.374 3.001 1.00 0.00 H new ATOM 0 HD11 ILE A 73 0.890 -8.780 3.816 1.00 0.00 H new ATOM 0 HD12 ILE A 73 0.428 -9.422 2.221 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.810 -10.539 3.553 1.00 0.00 H new ATOM 1113 N SER A 74 4.289 -11.722 -0.832 1.00 0.00 N ATOM 1114 CA SER A 74 4.555 -12.684 -1.888 1.00 0.00 C ATOM 1115 C SER A 74 4.606 -11.974 -3.242 1.00 0.00 C ATOM 1116 O SER A 74 3.621 -11.374 -3.669 1.00 0.00 O ATOM 1117 CB SER A 74 3.495 -13.788 -1.907 1.00 0.00 C ATOM 1118 OG SER A 74 3.994 -15.017 -1.387 1.00 0.00 O ATOM 0 H SER A 74 3.811 -10.874 -1.137 1.00 0.00 H new ATOM 0 HA SER A 74 5.521 -13.149 -1.692 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.631 -13.471 -1.322 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.149 -13.941 -2.929 1.00 0.00 H new ATOM 0 HG SER A 74 3.287 -15.695 -1.415 1.00 0.00 H new ATOM 1124 N GLY A 75 5.764 -12.065 -3.879 1.00 0.00 N ATOM 1125 CA GLY A 75 5.956 -11.439 -5.176 1.00 0.00 C ATOM 1126 C GLY A 75 7.267 -11.897 -5.817 1.00 0.00 C ATOM 1127 O GLY A 75 7.282 -12.844 -6.601 1.00 0.00 O ATOM 0 H GLY A 75 6.579 -12.563 -3.521 1.00 0.00 H new ATOM 0 HA2 GLY A 75 5.121 -11.687 -5.831 1.00 0.00 H new ATOM 0 HA3 GLY A 75 5.961 -10.355 -5.063 1.00 0.00 H new ATOM 1131 N PRO A 76 8.366 -11.184 -5.450 1.00 0.00 N ATOM 1132 CA PRO A 76 9.680 -11.508 -5.981 1.00 0.00 C ATOM 1133 C PRO A 76 10.239 -12.773 -5.327 1.00 0.00 C ATOM 1134 O PRO A 76 10.868 -12.704 -4.272 1.00 0.00 O ATOM 1135 CB PRO A 76 10.527 -10.275 -5.711 1.00 0.00 C ATOM 1136 CG PRO A 76 9.795 -9.493 -4.633 1.00 0.00 C ATOM 1137 CD PRO A 76 8.387 -10.056 -4.524 1.00 0.00 C ATOM 0 HA PRO A 76 9.659 -11.736 -7.047 1.00 0.00 H new ATOM 0 HB2 PRO A 76 11.527 -10.554 -5.380 1.00 0.00 H new ATOM 0 HB3 PRO A 76 10.645 -9.677 -6.615 1.00 0.00 H new ATOM 0 HG2 PRO A 76 10.315 -9.579 -3.679 1.00 0.00 H new ATOM 0 HG3 PRO A 76 9.764 -8.433 -4.885 1.00 0.00 H new ATOM 0 HD2 PRO A 76 8.166 -10.376 -3.506 1.00 0.00 H new ATOM 0 HD3 PRO A 76 7.640 -9.309 -4.793 1.00 0.00 H new ATOM 1145 N SER A 77 9.989 -13.898 -5.980 1.00 0.00 N ATOM 1146 CA SER A 77 10.460 -15.177 -5.475 1.00 0.00 C ATOM 1147 C SER A 77 11.313 -15.876 -6.535 1.00 0.00 C ATOM 1148 O SER A 77 10.829 -16.181 -7.624 1.00 0.00 O ATOM 1149 CB SER A 77 9.289 -16.070 -5.061 1.00 0.00 C ATOM 1150 OG SER A 77 9.721 -17.202 -4.311 1.00 0.00 O ATOM 0 H SER A 77 9.466 -13.951 -6.854 1.00 0.00 H new ATOM 0 HA SER A 77 11.071 -14.992 -4.591 1.00 0.00 H new ATOM 0 HB2 SER A 77 8.583 -15.490 -4.467 1.00 0.00 H new ATOM 0 HB3 SER A 77 8.757 -16.406 -5.951 1.00 0.00 H new ATOM 0 HG SER A 77 8.944 -17.746 -4.064 1.00 0.00 H new ATOM 1156 N SER A 78 12.568 -16.110 -6.179 1.00 0.00 N ATOM 1157 CA SER A 78 13.493 -16.767 -7.087 1.00 0.00 C ATOM 1158 C SER A 78 13.885 -18.138 -6.532 1.00 0.00 C ATOM 1159 O SER A 78 14.130 -19.073 -7.293 1.00 0.00 O ATOM 1160 CB SER A 78 14.740 -15.912 -7.318 1.00 0.00 C ATOM 1161 OG SER A 78 15.293 -15.434 -6.095 1.00 0.00 O ATOM 0 H SER A 78 12.966 -15.856 -5.275 1.00 0.00 H new ATOM 0 HA SER A 78 12.994 -16.899 -8.047 1.00 0.00 H new ATOM 0 HB2 SER A 78 15.489 -16.499 -7.850 1.00 0.00 H new ATOM 0 HB3 SER A 78 14.486 -15.066 -7.956 1.00 0.00 H new ATOM 0 HG SER A 78 16.088 -14.894 -6.285 1.00 0.00 H new ATOM 1167 N GLY A 79 13.931 -18.215 -5.210 1.00 0.00 N ATOM 1168 CA GLY A 79 14.289 -19.455 -4.544 1.00 0.00 C ATOM 1169 C GLY A 79 15.667 -19.348 -3.887 1.00 0.00 C ATOM 1170 O GLY A 79 16.318 -20.360 -3.632 1.00 0.00 O ATOM 0 H GLY A 79 13.726 -17.438 -4.582 1.00 0.00 H new ATOM 0 HA2 GLY A 79 13.540 -19.696 -3.789 1.00 0.00 H new ATOM 0 HA3 GLY A 79 14.289 -20.272 -5.265 1.00 0.00 H new TER 1174 GLY A 79