USER MOD reduce.3.24.130724 H: found=0, std=0, add=484, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 482 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 149:sc= 0.0169 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.078 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 39:sc= 0.479 USER MOD Single : A 10 CYS SG : rot -27:sc= -3.82! USER MOD Single : A 11 GLN : amide:sc= -0.202 K(o=-0.2,f=-1.8!) USER MOD Single : A 15 SER OG : rot 18:sc= 0.397! USER MOD Single : A 16 TYR OH : rot 165:sc= -0.315 USER MOD Single : A 19 GLN : amide:sc= -0.0133 X(o=-0.013,f=-0.063) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=-0.066) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot -163:sc= -3! USER MOD Single : A 53 MET CE :methyl 157:sc= 0 (180deg=-0.61) USER MOD Single : A 56 SER OG : rot -177:sc= 0.133 USER MOD Single : A 57 ASN : amide:sc= -0.13 K(o=-0.13,f=-2!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.805 -19.666 -10.374 1.00 0.00 N ATOM 2 CA GLY A 1 -12.071 -19.464 -8.960 1.00 0.00 C ATOM 3 C GLY A 1 -11.330 -18.234 -8.433 1.00 0.00 C ATOM 4 O GLY A 1 -10.204 -17.959 -8.846 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.839 -20.682 -10.592 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.523 -19.167 -10.937 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.862 -19.294 -10.607 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.143 -19.343 -8.802 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.764 -20.346 -8.399 1.00 0.00 H new ATOM 8 N SER A 2 -11.991 -17.527 -7.529 1.00 0.00 N ATOM 9 CA SER A 2 -11.410 -16.332 -6.941 1.00 0.00 C ATOM 10 C SER A 2 -12.059 -16.046 -5.585 1.00 0.00 C ATOM 11 O SER A 2 -13.281 -16.091 -5.457 1.00 0.00 O ATOM 12 CB SER A 2 -11.569 -15.127 -7.870 1.00 0.00 C ATOM 13 OG SER A 2 -12.939 -14.833 -8.133 1.00 0.00 O ATOM 0 H SER A 2 -12.924 -17.759 -7.189 1.00 0.00 H new ATOM 0 HA SER A 2 -10.344 -16.507 -6.796 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.091 -14.257 -7.420 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.053 -15.323 -8.810 1.00 0.00 H new ATOM 0 HG SER A 2 -12.999 -14.057 -8.728 1.00 0.00 H new ATOM 19 N SER A 3 -11.211 -15.759 -4.608 1.00 0.00 N ATOM 20 CA SER A 3 -11.687 -15.466 -3.267 1.00 0.00 C ATOM 21 C SER A 3 -12.847 -14.471 -3.329 1.00 0.00 C ATOM 22 O SER A 3 -12.740 -13.426 -3.970 1.00 0.00 O ATOM 23 CB SER A 3 -10.560 -14.914 -2.391 1.00 0.00 C ATOM 24 OG SER A 3 -10.231 -13.569 -2.730 1.00 0.00 O ATOM 0 H SER A 3 -10.198 -15.723 -4.718 1.00 0.00 H new ATOM 0 HA SER A 3 -12.038 -16.395 -2.818 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.858 -14.961 -1.344 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.676 -15.542 -2.499 1.00 0.00 H new ATOM 0 HG SER A 3 -9.509 -13.252 -2.148 1.00 0.00 H new ATOM 30 N GLY A 4 -13.930 -14.830 -2.655 1.00 0.00 N ATOM 31 CA GLY A 4 -15.109 -13.981 -2.625 1.00 0.00 C ATOM 32 C GLY A 4 -14.719 -12.504 -2.553 1.00 0.00 C ATOM 33 O GLY A 4 -14.695 -11.814 -3.571 1.00 0.00 O ATOM 0 H GLY A 4 -14.016 -15.698 -2.125 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.712 -14.159 -3.515 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -15.726 -14.240 -1.765 1.00 0.00 H new ATOM 37 N SER A 5 -14.425 -12.061 -1.339 1.00 0.00 N ATOM 38 CA SER A 5 -14.038 -10.678 -1.121 1.00 0.00 C ATOM 39 C SER A 5 -12.515 -10.543 -1.190 1.00 0.00 C ATOM 40 O SER A 5 -11.823 -10.770 -0.199 1.00 0.00 O ATOM 41 CB SER A 5 -14.555 -10.167 0.226 1.00 0.00 C ATOM 42 OG SER A 5 -15.956 -10.381 0.376 1.00 0.00 O ATOM 0 H SER A 5 -14.447 -12.636 -0.497 1.00 0.00 H new ATOM 0 HA SER A 5 -14.486 -10.070 -1.907 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.023 -10.670 1.033 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.339 -9.102 0.317 1.00 0.00 H new ATOM 0 HG SER A 5 -16.247 -10.043 1.249 1.00 0.00 H new ATOM 48 N SER A 6 -12.039 -10.174 -2.370 1.00 0.00 N ATOM 49 CA SER A 6 -10.611 -10.007 -2.582 1.00 0.00 C ATOM 50 C SER A 6 -10.213 -8.550 -2.337 1.00 0.00 C ATOM 51 O SER A 6 -10.469 -7.684 -3.173 1.00 0.00 O ATOM 52 CB SER A 6 -10.210 -10.437 -3.994 1.00 0.00 C ATOM 53 OG SER A 6 -10.955 -9.747 -4.994 1.00 0.00 O ATOM 0 H SER A 6 -12.617 -9.986 -3.189 1.00 0.00 H new ATOM 0 HA SER A 6 -10.083 -10.645 -1.874 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.146 -10.251 -4.141 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.364 -11.511 -4.103 1.00 0.00 H new ATOM 0 HG SER A 6 -11.071 -8.811 -4.728 1.00 0.00 H new ATOM 59 N GLY A 7 -9.594 -8.324 -1.188 1.00 0.00 N ATOM 60 CA GLY A 7 -9.159 -6.987 -0.823 1.00 0.00 C ATOM 61 C GLY A 7 -8.673 -6.945 0.627 1.00 0.00 C ATOM 62 O GLY A 7 -9.405 -7.319 1.542 1.00 0.00 O ATOM 0 H GLY A 7 -9.383 -9.045 -0.497 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.357 -6.667 -1.488 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.982 -6.284 -0.955 1.00 0.00 H new ATOM 66 N ARG A 8 -7.440 -6.487 0.792 1.00 0.00 N ATOM 67 CA ARG A 8 -6.848 -6.392 2.115 1.00 0.00 C ATOM 68 C ARG A 8 -6.355 -4.967 2.375 1.00 0.00 C ATOM 69 O ARG A 8 -6.300 -4.149 1.458 1.00 0.00 O ATOM 70 CB ARG A 8 -5.676 -7.364 2.266 1.00 0.00 C ATOM 71 CG ARG A 8 -5.141 -7.793 0.898 1.00 0.00 C ATOM 72 CD ARG A 8 -3.768 -8.455 1.030 1.00 0.00 C ATOM 73 NE ARG A 8 -3.408 -9.130 -0.237 1.00 0.00 N ATOM 74 CZ ARG A 8 -2.351 -9.942 -0.382 1.00 0.00 C ATOM 75 NH1 ARG A 8 -1.544 -10.184 0.661 1.00 0.00 N ATOM 76 NH2 ARG A 8 -2.101 -10.511 -1.569 1.00 0.00 N ATOM 0 H ARG A 8 -6.835 -6.178 0.031 1.00 0.00 H new ATOM 0 HA ARG A 8 -7.618 -6.653 2.841 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -4.879 -6.892 2.841 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -5.997 -8.242 2.827 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -5.840 -8.487 0.431 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -5.069 -6.925 0.243 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -3.016 -7.706 1.279 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -3.780 -9.178 1.846 1.00 0.00 H new ATOM 0 HE ARG A 8 -4.001 -8.967 -1.051 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -1.734 -9.750 1.564 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -0.740 -10.802 0.551 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -2.715 -10.326 -2.362 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -1.297 -11.129 -1.679 1.00 0.00 H new ATOM 90 N ARG A 9 -6.010 -4.713 3.629 1.00 0.00 N ATOM 91 CA ARG A 9 -5.524 -3.401 4.021 1.00 0.00 C ATOM 92 C ARG A 9 -4.135 -3.517 4.652 1.00 0.00 C ATOM 93 O ARG A 9 -3.822 -4.518 5.294 1.00 0.00 O ATOM 94 CB ARG A 9 -6.476 -2.736 5.017 1.00 0.00 C ATOM 95 CG ARG A 9 -7.471 -1.823 4.299 1.00 0.00 C ATOM 96 CD ARG A 9 -8.714 -1.583 5.158 1.00 0.00 C ATOM 97 NE ARG A 9 -9.842 -2.399 4.655 1.00 0.00 N ATOM 98 CZ ARG A 9 -11.070 -2.397 5.193 1.00 0.00 C ATOM 99 NH1 ARG A 9 -11.335 -1.622 6.253 1.00 0.00 N ATOM 100 NH2 ARG A 9 -12.031 -3.170 4.671 1.00 0.00 N ATOM 0 H ARG A 9 -6.057 -5.394 4.387 1.00 0.00 H new ATOM 0 HA ARG A 9 -5.469 -2.785 3.123 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -7.016 -3.501 5.575 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -5.903 -2.157 5.742 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -6.995 -0.870 4.068 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -7.762 -2.272 3.349 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -8.504 -1.839 6.196 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -8.981 -0.526 5.138 1.00 0.00 H new ATOM 0 HE ARG A 9 -9.674 -3.001 3.848 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -10.603 -1.034 6.650 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -12.269 -1.620 6.663 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -11.829 -3.760 3.864 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -12.965 -3.168 5.080 1.00 0.00 H new ATOM 114 N CYS A 10 -3.339 -2.477 4.448 1.00 0.00 N ATOM 115 CA CYS A 10 -1.991 -2.449 4.989 1.00 0.00 C ATOM 116 C CYS A 10 -1.631 -0.996 5.305 1.00 0.00 C ATOM 117 O CYS A 10 -2.086 -0.078 4.626 1.00 0.00 O ATOM 118 CB CYS A 10 -0.985 -3.092 4.033 1.00 0.00 C ATOM 119 SG CYS A 10 -1.670 -4.647 3.355 1.00 0.00 S ATOM 0 H CYS A 10 -3.602 -1.648 3.915 1.00 0.00 H new ATOM 0 HA CYS A 10 -1.951 -3.039 5.904 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -0.752 -2.403 3.221 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -0.051 -3.295 4.557 1.00 0.00 H new ATOM 0 HG CYS A 10 -2.522 -5.150 4.198 1.00 0.00 H new ATOM 125 N GLN A 11 -0.816 -0.834 6.337 1.00 0.00 N ATOM 126 CA GLN A 11 -0.388 0.492 6.752 1.00 0.00 C ATOM 127 C GLN A 11 1.037 0.766 6.268 1.00 0.00 C ATOM 128 O GLN A 11 1.826 -0.161 6.092 1.00 0.00 O ATOM 129 CB GLN A 11 -0.492 0.651 8.270 1.00 0.00 C ATOM 130 CG GLN A 11 -0.749 2.111 8.651 1.00 0.00 C ATOM 131 CD GLN A 11 -1.828 2.213 9.732 1.00 0.00 C ATOM 132 OE1 GLN A 11 -2.202 1.240 10.366 1.00 0.00 O ATOM 133 NE2 GLN A 11 -2.305 3.442 9.904 1.00 0.00 N ATOM 0 H GLN A 11 -0.441 -1.599 6.898 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.052 1.226 6.296 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.299 0.024 8.651 1.00 0.00 H new ATOM 0 HB3 GLN A 11 0.429 0.305 8.740 1.00 0.00 H new ATOM 0 HG2 GLN A 11 0.175 2.565 9.010 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -1.058 2.672 7.769 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -1.947 4.212 9.339 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -3.029 3.615 10.601 1.00 0.00 H new ATOM 142 N VAL A 12 1.324 2.044 6.066 1.00 0.00 N ATOM 143 CA VAL A 12 2.640 2.451 5.606 1.00 0.00 C ATOM 144 C VAL A 12 3.494 2.857 6.810 1.00 0.00 C ATOM 145 O VAL A 12 3.162 3.806 7.519 1.00 0.00 O ATOM 146 CB VAL A 12 2.509 3.564 4.564 1.00 0.00 C ATOM 147 CG1 VAL A 12 3.878 4.152 4.215 1.00 0.00 C ATOM 148 CG2 VAL A 12 1.793 3.059 3.310 1.00 0.00 C ATOM 0 H VAL A 12 0.667 2.811 6.213 1.00 0.00 H new ATOM 0 HA VAL A 12 3.146 1.621 5.114 1.00 0.00 H new ATOM 0 HB VAL A 12 1.904 4.360 4.998 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.757 4.941 3.473 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.336 4.566 5.113 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.518 3.368 3.810 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.713 3.869 2.585 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.360 2.237 2.874 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.795 2.710 3.576 1.00 0.00 H new ATOM 158 N ALA A 13 4.576 2.118 7.003 1.00 0.00 N ATOM 159 CA ALA A 13 5.479 2.389 8.109 1.00 0.00 C ATOM 160 C ALA A 13 6.563 3.366 7.649 1.00 0.00 C ATOM 161 O ALA A 13 7.188 4.036 8.469 1.00 0.00 O ATOM 162 CB ALA A 13 6.063 1.072 8.625 1.00 0.00 C ATOM 0 H ALA A 13 4.848 1.332 6.413 1.00 0.00 H new ATOM 0 HA ALA A 13 4.944 2.855 8.936 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.740 1.275 9.455 1.00 0.00 H new ATOM 0 HB2 ALA A 13 5.255 0.425 8.966 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.610 0.577 7.822 1.00 0.00 H new ATOM 168 N PHE A 14 6.751 3.417 6.338 1.00 0.00 N ATOM 169 CA PHE A 14 7.748 4.302 5.759 1.00 0.00 C ATOM 170 C PHE A 14 7.155 5.116 4.608 1.00 0.00 C ATOM 171 O PHE A 14 6.677 4.552 3.625 1.00 0.00 O ATOM 172 CB PHE A 14 8.871 3.416 5.217 1.00 0.00 C ATOM 173 CG PHE A 14 9.173 2.193 6.085 1.00 0.00 C ATOM 174 CD1 PHE A 14 8.399 1.079 5.984 1.00 0.00 C ATOM 175 CD2 PHE A 14 10.216 2.219 6.957 1.00 0.00 C ATOM 176 CE1 PHE A 14 8.680 -0.056 6.790 1.00 0.00 C ATOM 177 CE2 PHE A 14 10.497 1.084 7.763 1.00 0.00 C ATOM 178 CZ PHE A 14 9.723 -0.030 7.662 1.00 0.00 C ATOM 0 H PHE A 14 6.230 2.860 5.661 1.00 0.00 H new ATOM 0 HA PHE A 14 8.110 5.001 6.514 1.00 0.00 H new ATOM 0 HB2 PHE A 14 8.604 3.080 4.215 1.00 0.00 H new ATOM 0 HB3 PHE A 14 9.777 4.014 5.122 1.00 0.00 H new ATOM 0 HD1 PHE A 14 7.571 1.058 5.291 1.00 0.00 H new ATOM 0 HD2 PHE A 14 10.831 3.103 7.037 1.00 0.00 H new ATOM 0 HE1 PHE A 14 8.065 -0.940 6.710 1.00 0.00 H new ATOM 0 HE2 PHE A 14 11.325 1.105 8.456 1.00 0.00 H new ATOM 0 HZ PHE A 14 9.937 -0.894 8.274 1.00 0.00 H new ATOM 188 N SER A 15 7.207 6.431 4.767 1.00 0.00 N ATOM 189 CA SER A 15 6.681 7.329 3.753 1.00 0.00 C ATOM 190 C SER A 15 7.458 7.155 2.447 1.00 0.00 C ATOM 191 O SER A 15 8.682 7.283 2.427 1.00 0.00 O ATOM 192 CB SER A 15 6.746 8.784 4.220 1.00 0.00 C ATOM 193 OG SER A 15 8.075 9.296 4.189 1.00 0.00 O ATOM 0 H SER A 15 7.605 6.896 5.583 1.00 0.00 H new ATOM 0 HA SER A 15 5.634 7.077 3.582 1.00 0.00 H new ATOM 0 HB2 SER A 15 6.106 9.397 3.585 1.00 0.00 H new ATOM 0 HB3 SER A 15 6.353 8.857 5.234 1.00 0.00 H new ATOM 0 HG SER A 15 8.630 8.730 3.613 1.00 0.00 H new ATOM 199 N TYR A 16 6.716 6.867 1.388 1.00 0.00 N ATOM 200 CA TYR A 16 7.321 6.674 0.080 1.00 0.00 C ATOM 201 C TYR A 16 6.911 7.790 -0.883 1.00 0.00 C ATOM 202 O TYR A 16 5.770 8.250 -0.856 1.00 0.00 O ATOM 203 CB TYR A 16 6.780 5.342 -0.442 1.00 0.00 C ATOM 204 CG TYR A 16 7.199 5.020 -1.878 1.00 0.00 C ATOM 205 CD1 TYR A 16 6.505 5.567 -2.938 1.00 0.00 C ATOM 206 CD2 TYR A 16 8.271 4.184 -2.113 1.00 0.00 C ATOM 207 CE1 TYR A 16 6.899 5.264 -4.290 1.00 0.00 C ATOM 208 CE2 TYR A 16 8.666 3.882 -3.465 1.00 0.00 C ATOM 209 CZ TYR A 16 7.960 4.437 -4.486 1.00 0.00 C ATOM 210 OH TYR A 16 8.333 4.151 -5.763 1.00 0.00 O ATOM 0 H TYR A 16 5.702 6.763 1.408 1.00 0.00 H new ATOM 0 HA TYR A 16 8.408 6.683 0.155 1.00 0.00 H new ATOM 0 HB2 TYR A 16 7.122 4.541 0.214 1.00 0.00 H new ATOM 0 HB3 TYR A 16 5.692 5.357 -0.387 1.00 0.00 H new ATOM 0 HD1 TYR A 16 5.666 6.222 -2.754 1.00 0.00 H new ATOM 0 HD2 TYR A 16 8.814 3.756 -1.283 1.00 0.00 H new ATOM 0 HE1 TYR A 16 6.364 5.684 -5.129 1.00 0.00 H new ATOM 0 HE2 TYR A 16 9.504 3.230 -3.663 1.00 0.00 H new ATOM 0 HH TYR A 16 9.230 3.756 -5.761 1.00 0.00 H new ATOM 220 N LEU A 17 7.864 8.194 -1.710 1.00 0.00 N ATOM 221 CA LEU A 17 7.616 9.247 -2.680 1.00 0.00 C ATOM 222 C LEU A 17 7.713 8.667 -4.092 1.00 0.00 C ATOM 223 O LEU A 17 8.701 8.020 -4.435 1.00 0.00 O ATOM 224 CB LEU A 17 8.553 10.431 -2.436 1.00 0.00 C ATOM 225 CG LEU A 17 8.439 11.106 -1.067 1.00 0.00 C ATOM 226 CD1 LEU A 17 9.000 12.529 -1.109 1.00 0.00 C ATOM 227 CD2 LEU A 17 6.996 11.074 -0.559 1.00 0.00 C ATOM 0 H LEU A 17 8.809 7.811 -1.728 1.00 0.00 H new ATOM 0 HA LEU A 17 6.606 9.640 -2.565 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.580 10.089 -2.566 1.00 0.00 H new ATOM 0 HB3 LEU A 17 8.367 11.181 -3.205 1.00 0.00 H new ATOM 0 HG LEU A 17 9.044 10.542 -0.357 1.00 0.00 H new ATOM 0 HD11 LEU A 17 8.907 12.986 -0.124 1.00 0.00 H new ATOM 0 HD12 LEU A 17 10.051 12.497 -1.396 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.442 13.119 -1.837 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.942 11.560 0.415 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.351 11.600 -1.263 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.665 10.039 -0.467 1.00 0.00 H new ATOM 239 N PRO A 18 6.646 8.926 -4.895 1.00 0.00 N ATOM 240 CA PRO A 18 6.602 8.437 -6.262 1.00 0.00 C ATOM 241 C PRO A 18 7.525 9.255 -7.167 1.00 0.00 C ATOM 242 O PRO A 18 7.253 10.422 -7.446 1.00 0.00 O ATOM 243 CB PRO A 18 5.139 8.530 -6.666 1.00 0.00 C ATOM 244 CG PRO A 18 4.496 9.495 -5.684 1.00 0.00 C ATOM 245 CD PRO A 18 5.458 9.689 -4.523 1.00 0.00 C ATOM 0 HA PRO A 18 6.963 7.413 -6.354 1.00 0.00 H new ATOM 0 HB2 PRO A 18 5.039 8.890 -7.690 1.00 0.00 H new ATOM 0 HB3 PRO A 18 4.659 7.552 -6.624 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.285 10.448 -6.168 1.00 0.00 H new ATOM 0 HG3 PRO A 18 3.544 9.100 -5.329 1.00 0.00 H new ATOM 0 HD2 PRO A 18 5.694 10.743 -4.376 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.030 9.325 -3.589 1.00 0.00 H new ATOM 253 N GLN A 19 8.598 8.611 -7.601 1.00 0.00 N ATOM 254 CA GLN A 19 9.563 9.265 -8.469 1.00 0.00 C ATOM 255 C GLN A 19 8.906 9.656 -9.794 1.00 0.00 C ATOM 256 O GLN A 19 9.502 10.369 -10.600 1.00 0.00 O ATOM 257 CB GLN A 19 10.782 8.370 -8.705 1.00 0.00 C ATOM 258 CG GLN A 19 11.262 7.740 -7.396 1.00 0.00 C ATOM 259 CD GLN A 19 12.726 8.092 -7.123 1.00 0.00 C ATOM 260 OE1 GLN A 19 13.593 7.952 -7.969 1.00 0.00 O ATOM 261 NE2 GLN A 19 12.951 8.554 -5.896 1.00 0.00 N ATOM 0 H GLN A 19 8.821 7.643 -7.368 1.00 0.00 H new ATOM 0 HA GLN A 19 9.909 10.173 -7.976 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.529 7.586 -9.419 1.00 0.00 H new ATOM 0 HB3 GLN A 19 11.588 8.956 -9.147 1.00 0.00 H new ATOM 0 HG2 GLN A 19 10.640 8.088 -6.571 1.00 0.00 H new ATOM 0 HG3 GLN A 19 11.148 6.657 -7.446 1.00 0.00 H new ATOM 0 HE21 GLN A 19 12.179 8.646 -5.236 1.00 0.00 H new ATOM 0 HE22 GLN A 19 13.896 8.816 -5.615 1.00 0.00 H new ATOM 270 N ASN A 20 7.686 9.173 -9.978 1.00 0.00 N ATOM 271 CA ASN A 20 6.942 9.464 -11.191 1.00 0.00 C ATOM 272 C ASN A 20 5.621 10.143 -10.824 1.00 0.00 C ATOM 273 O ASN A 20 5.177 10.067 -9.679 1.00 0.00 O ATOM 274 CB ASN A 20 6.616 8.181 -11.959 1.00 0.00 C ATOM 275 CG ASN A 20 7.864 7.314 -12.132 1.00 0.00 C ATOM 276 OD1 ASN A 20 8.221 6.517 -11.281 1.00 0.00 O ATOM 277 ND2 ASN A 20 8.505 7.513 -13.280 1.00 0.00 N ATOM 0 H ASN A 20 7.195 8.582 -9.307 1.00 0.00 H new ATOM 0 HA ASN A 20 7.557 10.112 -11.816 1.00 0.00 H new ATOM 0 HB2 ASN A 20 5.849 7.619 -11.426 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.205 8.433 -12.937 1.00 0.00 H new ATOM 0 HD21 ASN A 20 9.350 6.982 -13.491 1.00 0.00 H new ATOM 0 HD22 ASN A 20 8.152 8.197 -13.950 1.00 0.00 H new ATOM 284 N ASP A 21 5.030 10.792 -11.816 1.00 0.00 N ATOM 285 CA ASP A 21 3.769 11.485 -11.611 1.00 0.00 C ATOM 286 C ASP A 21 2.613 10.534 -11.928 1.00 0.00 C ATOM 287 O ASP A 21 1.888 10.736 -12.901 1.00 0.00 O ATOM 288 CB ASP A 21 3.650 12.698 -12.535 1.00 0.00 C ATOM 289 CG ASP A 21 2.766 13.829 -12.007 1.00 0.00 C ATOM 290 OD1 ASP A 21 1.534 13.721 -12.193 1.00 0.00 O ATOM 291 OD2 ASP A 21 3.341 14.777 -11.430 1.00 0.00 O ATOM 0 H ASP A 21 5.401 10.853 -12.764 1.00 0.00 H new ATOM 0 HA ASP A 21 3.732 11.818 -10.574 1.00 0.00 H new ATOM 0 HB2 ASP A 21 4.648 13.094 -12.720 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.255 12.367 -13.495 1.00 0.00 H new ATOM 296 N ASP A 22 2.476 9.519 -11.088 1.00 0.00 N ATOM 297 CA ASP A 22 1.420 8.537 -11.266 1.00 0.00 C ATOM 298 C ASP A 22 1.503 7.497 -10.147 1.00 0.00 C ATOM 299 O ASP A 22 0.480 6.989 -9.690 1.00 0.00 O ATOM 300 CB ASP A 22 1.568 7.806 -12.602 1.00 0.00 C ATOM 301 CG ASP A 22 0.334 7.854 -13.506 1.00 0.00 C ATOM 302 OD1 ASP A 22 -0.755 7.511 -12.998 1.00 0.00 O ATOM 303 OD2 ASP A 22 0.508 8.234 -14.684 1.00 0.00 O ATOM 0 H ASP A 22 3.079 9.355 -10.282 1.00 0.00 H new ATOM 0 HA ASP A 22 0.465 9.061 -11.245 1.00 0.00 H new ATOM 0 HB2 ASP A 22 2.412 8.235 -13.142 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.814 6.763 -12.403 1.00 0.00 H new ATOM 308 N GLU A 23 2.730 7.211 -9.738 1.00 0.00 N ATOM 309 CA GLU A 23 2.959 6.241 -8.680 1.00 0.00 C ATOM 310 C GLU A 23 2.217 6.656 -7.409 1.00 0.00 C ATOM 311 O GLU A 23 1.684 7.762 -7.330 1.00 0.00 O ATOM 312 CB GLU A 23 4.455 6.067 -8.411 1.00 0.00 C ATOM 313 CG GLU A 23 5.072 5.052 -9.375 1.00 0.00 C ATOM 314 CD GLU A 23 4.298 5.009 -10.694 1.00 0.00 C ATOM 315 OE1 GLU A 23 4.669 5.792 -11.595 1.00 0.00 O ATOM 316 OE2 GLU A 23 3.354 4.193 -10.772 1.00 0.00 O ATOM 0 H GLU A 23 3.576 7.634 -10.120 1.00 0.00 H new ATOM 0 HA GLU A 23 2.568 5.277 -9.006 1.00 0.00 H new ATOM 0 HB2 GLU A 23 4.961 7.027 -8.516 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.607 5.737 -7.383 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.112 5.314 -9.568 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.072 4.063 -8.917 1.00 0.00 H new ATOM 323 N LEU A 24 2.208 5.748 -6.444 1.00 0.00 N ATOM 324 CA LEU A 24 1.540 6.007 -5.179 1.00 0.00 C ATOM 325 C LEU A 24 2.542 6.608 -4.192 1.00 0.00 C ATOM 326 O LEU A 24 3.722 6.261 -4.212 1.00 0.00 O ATOM 327 CB LEU A 24 0.856 4.738 -4.666 1.00 0.00 C ATOM 328 CG LEU A 24 -0.534 4.447 -5.237 1.00 0.00 C ATOM 329 CD1 LEU A 24 -1.232 3.342 -4.443 1.00 0.00 C ATOM 330 CD2 LEU A 24 -1.376 5.723 -5.307 1.00 0.00 C ATOM 0 H LEU A 24 2.652 4.832 -6.512 1.00 0.00 H new ATOM 0 HA LEU A 24 0.744 6.740 -5.311 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.502 3.888 -4.884 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.774 4.806 -3.581 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.415 4.084 -6.258 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.218 3.155 -4.869 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.637 2.430 -4.489 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.339 3.653 -3.404 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.359 5.488 -5.716 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.490 6.139 -4.306 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.880 6.451 -5.949 1.00 0.00 H new ATOM 342 N GLU A 25 2.035 7.498 -3.352 1.00 0.00 N ATOM 343 CA GLU A 25 2.871 8.150 -2.359 1.00 0.00 C ATOM 344 C GLU A 25 2.494 7.677 -0.953 1.00 0.00 C ATOM 345 O GLU A 25 1.495 8.124 -0.391 1.00 0.00 O ATOM 346 CB GLU A 25 2.769 9.673 -2.470 1.00 0.00 C ATOM 347 CG GLU A 25 3.617 10.360 -1.398 1.00 0.00 C ATOM 348 CD GLU A 25 3.404 11.875 -1.418 1.00 0.00 C ATOM 349 OE1 GLU A 25 3.664 12.470 -2.486 1.00 0.00 O ATOM 350 OE2 GLU A 25 2.987 12.403 -0.365 1.00 0.00 O ATOM 0 H GLU A 25 1.056 7.783 -3.339 1.00 0.00 H new ATOM 0 HA GLU A 25 3.908 7.873 -2.549 1.00 0.00 H new ATOM 0 HB2 GLU A 25 3.099 9.992 -3.459 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.728 9.980 -2.367 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.357 9.966 -0.416 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.671 10.135 -1.563 1.00 0.00 H new ATOM 357 N LEU A 26 3.313 6.779 -0.426 1.00 0.00 N ATOM 358 CA LEU A 26 3.077 6.240 0.903 1.00 0.00 C ATOM 359 C LEU A 26 3.507 7.270 1.949 1.00 0.00 C ATOM 360 O LEU A 26 4.498 7.975 1.761 1.00 0.00 O ATOM 361 CB LEU A 26 3.762 4.881 1.059 1.00 0.00 C ATOM 362 CG LEU A 26 3.706 3.958 -0.159 1.00 0.00 C ATOM 363 CD1 LEU A 26 4.670 2.780 0.001 1.00 0.00 C ATOM 364 CD2 LEU A 26 2.274 3.493 -0.430 1.00 0.00 C ATOM 0 H LEU A 26 4.141 6.411 -0.895 1.00 0.00 H new ATOM 0 HA LEU A 26 2.014 6.054 1.056 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.808 5.051 1.313 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.309 4.363 1.904 1.00 0.00 H new ATOM 0 HG LEU A 26 4.031 4.525 -1.032 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.611 2.139 -0.879 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.688 3.155 0.109 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.399 2.206 0.887 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.263 2.838 -1.301 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.898 2.950 0.437 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.640 4.359 -0.619 1.00 0.00 H new ATOM 376 N LYS A 27 2.741 7.325 3.029 1.00 0.00 N ATOM 377 CA LYS A 27 3.031 8.257 4.105 1.00 0.00 C ATOM 378 C LYS A 27 2.847 7.549 5.450 1.00 0.00 C ATOM 379 O LYS A 27 1.775 7.019 5.735 1.00 0.00 O ATOM 380 CB LYS A 27 2.187 9.525 3.958 1.00 0.00 C ATOM 381 CG LYS A 27 2.978 10.630 3.254 1.00 0.00 C ATOM 382 CD LYS A 27 3.051 11.889 4.122 1.00 0.00 C ATOM 383 CE LYS A 27 4.442 12.521 4.053 1.00 0.00 C ATOM 384 NZ LYS A 27 4.620 13.501 5.148 1.00 0.00 N ATOM 0 H LYS A 27 1.920 6.739 3.182 1.00 0.00 H new ATOM 0 HA LYS A 27 4.069 8.585 4.055 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.284 9.301 3.391 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.869 9.871 4.941 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.985 10.277 3.033 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.507 10.868 2.300 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.303 12.609 3.789 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.813 11.637 5.155 1.00 0.00 H new ATOM 0 HE2 LYS A 27 5.204 11.745 4.124 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.577 13.014 3.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.569 13.921 5.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.904 14.250 5.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.512 13.021 6.064 1.00 0.00 H new ATOM 398 N VAL A 28 3.911 7.564 6.240 1.00 0.00 N ATOM 399 CA VAL A 28 3.880 6.931 7.547 1.00 0.00 C ATOM 400 C VAL A 28 2.511 7.162 8.190 1.00 0.00 C ATOM 401 O VAL A 28 2.221 8.260 8.663 1.00 0.00 O ATOM 402 CB VAL A 28 5.038 7.446 8.405 1.00 0.00 C ATOM 403 CG1 VAL A 28 4.931 6.925 9.840 1.00 0.00 C ATOM 404 CG2 VAL A 28 6.387 7.075 7.786 1.00 0.00 C ATOM 0 H VAL A 28 4.799 8.004 6.000 1.00 0.00 H new ATOM 0 HA VAL A 28 4.016 5.854 7.452 1.00 0.00 H new ATOM 0 HB VAL A 28 4.973 8.534 8.438 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.766 7.306 10.428 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.993 7.262 10.281 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.958 5.835 9.834 1.00 0.00 H new ATOM 0 HG21 VAL A 28 7.192 7.453 8.416 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.466 5.991 7.708 1.00 0.00 H new ATOM 0 HG23 VAL A 28 6.465 7.517 6.793 1.00 0.00 H new ATOM 414 N GLY A 29 1.706 6.110 8.185 1.00 0.00 N ATOM 415 CA GLY A 29 0.374 6.185 8.761 1.00 0.00 C ATOM 416 C GLY A 29 -0.696 6.206 7.668 1.00 0.00 C ATOM 417 O GLY A 29 -1.795 6.716 7.880 1.00 0.00 O ATOM 0 H GLY A 29 1.950 5.201 7.791 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.210 5.332 9.419 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.289 7.082 9.375 1.00 0.00 H new ATOM 421 N ASP A 30 -0.337 5.645 6.523 1.00 0.00 N ATOM 422 CA ASP A 30 -1.253 5.593 5.396 1.00 0.00 C ATOM 423 C ASP A 30 -1.800 4.171 5.253 1.00 0.00 C ATOM 424 O ASP A 30 -1.063 3.200 5.417 1.00 0.00 O ATOM 425 CB ASP A 30 -0.543 5.960 4.091 1.00 0.00 C ATOM 426 CG ASP A 30 -0.324 7.458 3.873 1.00 0.00 C ATOM 427 OD1 ASP A 30 -0.227 8.172 4.894 1.00 0.00 O ATOM 428 OD2 ASP A 30 -0.260 7.856 2.690 1.00 0.00 O ATOM 0 H ASP A 30 0.575 5.223 6.351 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.056 6.306 5.582 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.425 5.460 4.069 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.124 5.568 3.256 1.00 0.00 H new ATOM 433 N ILE A 31 -3.087 4.094 4.949 1.00 0.00 N ATOM 434 CA ILE A 31 -3.740 2.807 4.782 1.00 0.00 C ATOM 435 C ILE A 31 -4.182 2.648 3.326 1.00 0.00 C ATOM 436 O ILE A 31 -5.113 3.316 2.880 1.00 0.00 O ATOM 437 CB ILE A 31 -4.880 2.650 5.791 1.00 0.00 C ATOM 438 CG1 ILE A 31 -4.358 2.738 7.227 1.00 0.00 C ATOM 439 CG2 ILE A 31 -5.659 1.357 5.542 1.00 0.00 C ATOM 440 CD1 ILE A 31 -5.455 2.383 8.232 1.00 0.00 C ATOM 0 H ILE A 31 -3.695 4.902 4.814 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.043 1.996 4.994 1.00 0.00 H new ATOM 0 HB ILE A 31 -5.576 3.477 5.651 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.512 2.062 7.352 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.992 3.746 7.424 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -6.463 1.270 6.273 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -6.082 1.375 4.538 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.988 0.504 5.638 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -5.058 2.453 9.244 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -6.289 3.076 8.120 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -5.802 1.366 8.048 1.00 0.00 H new ATOM 452 N ILE A 32 -3.492 1.761 2.625 1.00 0.00 N ATOM 453 CA ILE A 32 -3.801 1.506 1.228 1.00 0.00 C ATOM 454 C ILE A 32 -4.602 0.208 1.116 1.00 0.00 C ATOM 455 O ILE A 32 -4.111 -0.862 1.473 1.00 0.00 O ATOM 456 CB ILE A 32 -2.524 1.515 0.386 1.00 0.00 C ATOM 457 CG1 ILE A 32 -2.074 2.947 0.087 1.00 0.00 C ATOM 458 CG2 ILE A 32 -2.703 0.692 -0.891 1.00 0.00 C ATOM 459 CD1 ILE A 32 -0.578 3.120 0.359 1.00 0.00 C ATOM 0 H ILE A 32 -2.719 1.209 2.998 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.426 2.303 0.825 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.730 1.042 0.965 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.288 3.189 -0.954 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.642 3.646 0.701 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.780 0.715 -1.471 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -2.941 -0.339 -0.629 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.515 1.113 -1.484 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.284 4.146 0.139 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.371 2.900 1.406 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.012 2.437 -0.274 1.00 0.00 H new ATOM 471 N GLU A 33 -5.823 0.344 0.619 1.00 0.00 N ATOM 472 CA GLU A 33 -6.697 -0.805 0.456 1.00 0.00 C ATOM 473 C GLU A 33 -6.154 -1.734 -0.632 1.00 0.00 C ATOM 474 O GLU A 33 -6.629 -1.712 -1.766 1.00 0.00 O ATOM 475 CB GLU A 33 -8.127 -0.365 0.137 1.00 0.00 C ATOM 476 CG GLU A 33 -9.062 -0.645 1.316 1.00 0.00 C ATOM 477 CD GLU A 33 -10.522 -0.685 0.860 1.00 0.00 C ATOM 478 OE1 GLU A 33 -11.075 0.413 0.631 1.00 0.00 O ATOM 479 OE2 GLU A 33 -11.052 -1.812 0.750 1.00 0.00 O ATOM 0 H GLU A 33 -6.227 1.233 0.324 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.722 -1.354 1.397 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -8.140 0.699 -0.098 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -8.484 -0.891 -0.748 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -8.795 -1.595 1.778 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.936 0.126 2.076 1.00 0.00 H new ATOM 486 N VAL A 34 -5.166 -2.530 -0.247 1.00 0.00 N ATOM 487 CA VAL A 34 -4.554 -3.465 -1.175 1.00 0.00 C ATOM 488 C VAL A 34 -5.638 -4.080 -2.062 1.00 0.00 C ATOM 489 O VAL A 34 -6.534 -4.765 -1.570 1.00 0.00 O ATOM 490 CB VAL A 34 -3.745 -4.511 -0.406 1.00 0.00 C ATOM 491 CG1 VAL A 34 -3.134 -5.541 -1.359 1.00 0.00 C ATOM 492 CG2 VAL A 34 -2.665 -3.848 0.451 1.00 0.00 C ATOM 0 H VAL A 34 -4.775 -2.546 0.695 1.00 0.00 H new ATOM 0 HA VAL A 34 -3.853 -2.949 -1.831 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.427 -5.037 0.263 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.564 -6.273 -0.787 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.929 -6.047 -1.906 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.473 -5.037 -2.064 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.105 -4.614 0.987 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.987 -3.284 -0.190 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.133 -3.173 1.167 1.00 0.00 H new ATOM 502 N VAL A 35 -5.522 -3.814 -3.355 1.00 0.00 N ATOM 503 CA VAL A 35 -6.481 -4.334 -4.315 1.00 0.00 C ATOM 504 C VAL A 35 -5.884 -5.556 -5.015 1.00 0.00 C ATOM 505 O VAL A 35 -6.511 -6.613 -5.067 1.00 0.00 O ATOM 506 CB VAL A 35 -6.895 -3.230 -5.290 1.00 0.00 C ATOM 507 CG1 VAL A 35 -5.747 -2.874 -6.236 1.00 0.00 C ATOM 508 CG2 VAL A 35 -8.147 -3.631 -6.073 1.00 0.00 C ATOM 0 H VAL A 35 -4.779 -3.245 -3.760 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.389 -4.661 -3.809 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.135 -2.341 -4.707 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.068 -2.087 -6.918 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.893 -2.525 -5.656 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.461 -3.756 -6.809 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -8.420 -2.829 -6.759 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -7.946 -4.540 -6.640 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -8.968 -3.810 -5.379 1.00 0.00 H new ATOM 518 N GLY A 36 -4.680 -5.371 -5.536 1.00 0.00 N ATOM 519 CA GLY A 36 -3.992 -6.446 -6.231 1.00 0.00 C ATOM 520 C GLY A 36 -2.475 -6.316 -6.076 1.00 0.00 C ATOM 521 O GLY A 36 -1.995 -5.707 -5.121 1.00 0.00 O ATOM 0 H GLY A 36 -4.163 -4.493 -5.491 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.320 -7.408 -5.837 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.256 -6.428 -7.288 1.00 0.00 H new ATOM 525 N GLU A 37 -1.763 -6.900 -7.029 1.00 0.00 N ATOM 526 CA GLU A 37 -0.311 -6.857 -7.010 1.00 0.00 C ATOM 527 C GLU A 37 0.234 -6.684 -8.429 1.00 0.00 C ATOM 528 O GLU A 37 -0.222 -7.349 -9.358 1.00 0.00 O ATOM 529 CB GLU A 37 0.266 -8.112 -6.351 1.00 0.00 C ATOM 530 CG GLU A 37 1.738 -8.299 -6.722 1.00 0.00 C ATOM 531 CD GLU A 37 1.893 -9.316 -7.853 1.00 0.00 C ATOM 532 OE1 GLU A 37 1.955 -10.522 -7.528 1.00 0.00 O ATOM 533 OE2 GLU A 37 1.947 -8.866 -9.018 1.00 0.00 O ATOM 0 H GLU A 37 -2.165 -7.405 -7.819 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.001 -5.998 -6.415 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.167 -8.037 -5.268 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.305 -8.986 -6.663 1.00 0.00 H new ATOM 0 HG2 GLU A 37 2.164 -7.343 -7.027 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.297 -8.633 -5.848 1.00 0.00 H new ATOM 540 N VAL A 38 1.201 -5.787 -8.552 1.00 0.00 N ATOM 541 CA VAL A 38 1.813 -5.518 -9.842 1.00 0.00 C ATOM 542 C VAL A 38 2.868 -6.587 -10.135 1.00 0.00 C ATOM 543 O VAL A 38 2.688 -7.414 -11.028 1.00 0.00 O ATOM 544 CB VAL A 38 2.379 -4.097 -9.867 1.00 0.00 C ATOM 545 CG1 VAL A 38 2.797 -3.698 -11.284 1.00 0.00 C ATOM 546 CG2 VAL A 38 1.375 -3.097 -9.289 1.00 0.00 C ATOM 0 H VAL A 38 1.576 -5.237 -7.779 1.00 0.00 H new ATOM 0 HA VAL A 38 1.068 -5.571 -10.636 1.00 0.00 H new ATOM 0 HB VAL A 38 3.269 -4.080 -9.238 1.00 0.00 H new ATOM 0 HG11 VAL A 38 3.196 -2.684 -11.274 1.00 0.00 H new ATOM 0 HG12 VAL A 38 3.562 -4.385 -11.645 1.00 0.00 H new ATOM 0 HG13 VAL A 38 1.931 -3.741 -11.944 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.802 -2.095 -9.318 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.459 -3.119 -9.879 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.148 -3.365 -8.257 1.00 0.00 H new ATOM 556 N GLU A 39 3.945 -6.536 -9.365 1.00 0.00 N ATOM 557 CA GLU A 39 5.029 -7.489 -9.530 1.00 0.00 C ATOM 558 C GLU A 39 5.699 -7.770 -8.183 1.00 0.00 C ATOM 559 O GLU A 39 5.446 -7.072 -7.203 1.00 0.00 O ATOM 560 CB GLU A 39 6.048 -6.989 -10.556 1.00 0.00 C ATOM 561 CG GLU A 39 6.391 -5.518 -10.315 1.00 0.00 C ATOM 562 CD GLU A 39 7.194 -4.944 -11.484 1.00 0.00 C ATOM 563 OE1 GLU A 39 7.637 -5.758 -12.322 1.00 0.00 O ATOM 564 OE2 GLU A 39 7.347 -3.704 -11.513 1.00 0.00 O ATOM 0 H GLU A 39 4.090 -5.849 -8.625 1.00 0.00 H new ATOM 0 HA GLU A 39 4.611 -8.422 -9.907 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.954 -7.592 -10.497 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.647 -7.113 -11.562 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.474 -4.944 -10.182 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.964 -5.421 -9.393 1.00 0.00 H new ATOM 571 N GLU A 40 6.541 -8.793 -8.179 1.00 0.00 N ATOM 572 CA GLU A 40 7.250 -9.174 -6.969 1.00 0.00 C ATOM 573 C GLU A 40 7.905 -7.948 -6.330 1.00 0.00 C ATOM 574 O GLU A 40 8.769 -7.314 -6.935 1.00 0.00 O ATOM 575 CB GLU A 40 8.287 -10.260 -7.260 1.00 0.00 C ATOM 576 CG GLU A 40 8.686 -10.994 -5.979 1.00 0.00 C ATOM 577 CD GLU A 40 10.204 -10.974 -5.786 1.00 0.00 C ATOM 578 OE1 GLU A 40 10.858 -11.888 -6.333 1.00 0.00 O ATOM 579 OE2 GLU A 40 10.676 -10.044 -5.096 1.00 0.00 O ATOM 0 H GLU A 40 6.748 -9.370 -8.994 1.00 0.00 H new ATOM 0 HA GLU A 40 6.529 -9.586 -6.263 1.00 0.00 H new ATOM 0 HB2 GLU A 40 7.882 -10.971 -7.980 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.170 -9.812 -7.717 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.201 -10.527 -5.122 1.00 0.00 H new ATOM 0 HG3 GLU A 40 8.335 -12.025 -6.022 1.00 0.00 H new ATOM 586 N GLY A 41 7.470 -7.651 -5.114 1.00 0.00 N ATOM 587 CA GLY A 41 8.003 -6.512 -4.386 1.00 0.00 C ATOM 588 C GLY A 41 7.150 -5.263 -4.619 1.00 0.00 C ATOM 589 O GLY A 41 7.299 -4.265 -3.915 1.00 0.00 O ATOM 0 H GLY A 41 6.755 -8.179 -4.615 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.036 -6.740 -3.321 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.028 -6.321 -4.703 1.00 0.00 H new ATOM 593 N TRP A 42 6.275 -5.360 -5.608 1.00 0.00 N ATOM 594 CA TRP A 42 5.398 -4.251 -5.943 1.00 0.00 C ATOM 595 C TRP A 42 3.954 -4.755 -5.882 1.00 0.00 C ATOM 596 O TRP A 42 3.606 -5.732 -6.543 1.00 0.00 O ATOM 597 CB TRP A 42 5.765 -3.652 -7.302 1.00 0.00 C ATOM 598 CG TRP A 42 7.066 -2.846 -7.296 1.00 0.00 C ATOM 599 CD1 TRP A 42 8.321 -3.304 -7.402 1.00 0.00 C ATOM 600 CD2 TRP A 42 7.189 -1.413 -7.172 1.00 0.00 C ATOM 601 NE1 TRP A 42 9.240 -2.276 -7.356 1.00 0.00 N ATOM 602 CE2 TRP A 42 8.529 -1.089 -7.212 1.00 0.00 C ATOM 603 CE3 TRP A 42 6.200 -0.424 -7.032 1.00 0.00 C ATOM 604 CZ2 TRP A 42 9.004 0.224 -7.117 1.00 0.00 C ATOM 605 CZ3 TRP A 42 6.690 0.884 -6.939 1.00 0.00 C ATOM 606 CH2 TRP A 42 8.037 1.227 -6.977 1.00 0.00 C ATOM 0 H TRP A 42 6.154 -6.190 -6.189 1.00 0.00 H new ATOM 0 HA TRP A 42 5.514 -3.438 -5.226 1.00 0.00 H new ATOM 0 HB2 TRP A 42 5.852 -4.458 -8.031 1.00 0.00 H new ATOM 0 HB3 TRP A 42 4.952 -3.007 -7.635 1.00 0.00 H new ATOM 0 HD1 TRP A 42 8.580 -4.347 -7.510 1.00 0.00 H new ATOM 0 HE1 TRP A 42 10.254 -2.369 -7.416 1.00 0.00 H new ATOM 0 HE3 TRP A 42 5.146 -0.655 -6.999 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 10.059 0.451 -7.150 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 5.971 1.683 -6.830 1.00 0.00 H new ATOM 0 HH2 TRP A 42 8.336 2.262 -6.899 1.00 0.00 H new ATOM 617 N TRP A 43 3.154 -4.065 -5.083 1.00 0.00 N ATOM 618 CA TRP A 43 1.756 -4.430 -4.927 1.00 0.00 C ATOM 619 C TRP A 43 0.904 -3.282 -5.473 1.00 0.00 C ATOM 620 O TRP A 43 1.412 -2.190 -5.719 1.00 0.00 O ATOM 621 CB TRP A 43 1.437 -4.770 -3.470 1.00 0.00 C ATOM 622 CG TRP A 43 1.997 -6.118 -3.009 1.00 0.00 C ATOM 623 CD1 TRP A 43 2.591 -7.062 -3.751 1.00 0.00 C ATOM 624 CD2 TRP A 43 1.990 -6.636 -1.662 1.00 0.00 C ATOM 625 NE1 TRP A 43 2.966 -8.146 -2.985 1.00 0.00 N ATOM 626 CE2 TRP A 43 2.589 -7.879 -1.674 1.00 0.00 C ATOM 627 CE3 TRP A 43 1.495 -6.072 -0.473 1.00 0.00 C ATOM 628 CZ2 TRP A 43 2.749 -8.664 -0.526 1.00 0.00 C ATOM 629 CZ3 TRP A 43 1.662 -6.870 0.666 1.00 0.00 C ATOM 630 CH2 TRP A 43 2.263 -8.123 0.671 1.00 0.00 C ATOM 0 H TRP A 43 3.447 -3.255 -4.537 1.00 0.00 H new ATOM 0 HA TRP A 43 1.528 -5.333 -5.493 1.00 0.00 H new ATOM 0 HB2 TRP A 43 1.835 -3.984 -2.828 1.00 0.00 H new ATOM 0 HB3 TRP A 43 0.355 -4.773 -3.337 1.00 0.00 H new ATOM 0 HD1 TRP A 43 2.756 -6.984 -4.816 1.00 0.00 H new ATOM 0 HE1 TRP A 43 3.434 -8.989 -3.319 1.00 0.00 H new ATOM 0 HE3 TRP A 43 1.024 -5.101 -0.440 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.222 -9.634 -0.561 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.298 -6.484 1.607 1.00 0.00 H new ATOM 0 HH2 TRP A 43 2.355 -8.677 1.594 1.00 0.00 H new ATOM 641 N GLU A 44 -0.378 -3.570 -5.646 1.00 0.00 N ATOM 642 CA GLU A 44 -1.305 -2.576 -6.159 1.00 0.00 C ATOM 643 C GLU A 44 -2.429 -2.329 -5.150 1.00 0.00 C ATOM 644 O GLU A 44 -3.024 -3.274 -4.635 1.00 0.00 O ATOM 645 CB GLU A 44 -1.870 -3.000 -7.516 1.00 0.00 C ATOM 646 CG GLU A 44 -2.470 -1.805 -8.258 1.00 0.00 C ATOM 647 CD GLU A 44 -2.430 -2.023 -9.772 1.00 0.00 C ATOM 648 OE1 GLU A 44 -2.735 -3.161 -10.190 1.00 0.00 O ATOM 649 OE2 GLU A 44 -2.096 -1.047 -10.478 1.00 0.00 O ATOM 0 H GLU A 44 -0.796 -4.477 -5.440 1.00 0.00 H new ATOM 0 HA GLU A 44 -0.762 -1.642 -6.305 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.080 -3.448 -8.119 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.634 -3.764 -7.373 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -3.500 -1.652 -7.936 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.919 -0.900 -8.003 1.00 0.00 H new ATOM 656 N GLY A 45 -2.685 -1.053 -4.899 1.00 0.00 N ATOM 657 CA GLY A 45 -3.727 -0.670 -3.961 1.00 0.00 C ATOM 658 C GLY A 45 -4.187 0.768 -4.210 1.00 0.00 C ATOM 659 O GLY A 45 -3.804 1.382 -5.205 1.00 0.00 O ATOM 0 H GLY A 45 -2.189 -0.272 -5.329 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.575 -1.349 -4.057 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.356 -0.765 -2.941 1.00 0.00 H new ATOM 663 N VAL A 46 -5.001 1.263 -3.289 1.00 0.00 N ATOM 664 CA VAL A 46 -5.517 2.617 -3.396 1.00 0.00 C ATOM 665 C VAL A 46 -4.989 3.453 -2.229 1.00 0.00 C ATOM 666 O VAL A 46 -4.494 2.908 -1.244 1.00 0.00 O ATOM 667 CB VAL A 46 -7.045 2.590 -3.469 1.00 0.00 C ATOM 668 CG1 VAL A 46 -7.641 3.909 -2.972 1.00 0.00 C ATOM 669 CG2 VAL A 46 -7.521 2.274 -4.889 1.00 0.00 C ATOM 0 H VAL A 46 -5.316 0.750 -2.465 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.169 3.087 -4.316 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.398 1.794 -2.813 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -8.728 3.863 -3.034 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -7.344 4.075 -1.937 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -7.276 4.729 -3.591 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.611 2.261 -4.913 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.152 3.037 -5.575 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.140 1.299 -5.192 1.00 0.00 H new ATOM 679 N LEU A 47 -5.112 4.764 -2.379 1.00 0.00 N ATOM 680 CA LEU A 47 -4.653 5.681 -1.349 1.00 0.00 C ATOM 681 C LEU A 47 -5.563 6.910 -1.325 1.00 0.00 C ATOM 682 O LEU A 47 -5.278 7.911 -1.982 1.00 0.00 O ATOM 683 CB LEU A 47 -3.173 6.015 -1.550 1.00 0.00 C ATOM 684 CG LEU A 47 -2.597 7.089 -0.626 1.00 0.00 C ATOM 685 CD1 LEU A 47 -2.599 6.619 0.830 1.00 0.00 C ATOM 686 CD2 LEU A 47 -1.203 7.519 -1.087 1.00 0.00 C ATOM 0 H LEU A 47 -5.523 5.213 -3.198 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.720 5.215 -0.366 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.594 5.101 -1.418 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.030 6.337 -2.582 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.240 7.967 -0.682 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.184 7.402 1.465 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.621 6.402 1.141 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.993 5.718 0.922 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.816 8.283 -0.413 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.535 6.657 -1.080 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.263 7.923 -2.098 1.00 0.00 H new ATOM 698 N ASN A 48 -6.639 6.796 -0.561 1.00 0.00 N ATOM 699 CA ASN A 48 -7.593 7.886 -0.443 1.00 0.00 C ATOM 700 C ASN A 48 -8.150 8.223 -1.827 1.00 0.00 C ATOM 701 O ASN A 48 -8.227 9.392 -2.201 1.00 0.00 O ATOM 702 CB ASN A 48 -6.925 9.143 0.117 1.00 0.00 C ATOM 703 CG ASN A 48 -6.987 9.162 1.646 1.00 0.00 C ATOM 704 OD1 ASN A 48 -8.026 9.375 2.248 1.00 0.00 O ATOM 705 ND2 ASN A 48 -5.818 8.930 2.237 1.00 0.00 N ATOM 0 H ASN A 48 -6.872 5.965 -0.017 1.00 0.00 H new ATOM 0 HA ASN A 48 -8.387 7.568 0.232 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -5.886 9.183 -0.209 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -7.418 10.030 -0.282 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -5.754 8.923 3.255 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -4.986 8.759 1.672 1.00 0.00 H new ATOM 712 N GLY A 49 -8.524 7.177 -2.550 1.00 0.00 N ATOM 713 CA GLY A 49 -9.072 7.348 -3.885 1.00 0.00 C ATOM 714 C GLY A 49 -7.978 7.216 -4.947 1.00 0.00 C ATOM 715 O GLY A 49 -8.254 6.831 -6.082 1.00 0.00 O ATOM 0 H GLY A 49 -8.458 6.209 -2.237 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.848 6.603 -4.062 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -9.546 8.326 -3.965 1.00 0.00 H new ATOM 719 N LYS A 50 -6.761 7.543 -4.540 1.00 0.00 N ATOM 720 CA LYS A 50 -5.625 7.466 -5.443 1.00 0.00 C ATOM 721 C LYS A 50 -5.228 6.001 -5.633 1.00 0.00 C ATOM 722 O LYS A 50 -5.543 5.155 -4.798 1.00 0.00 O ATOM 723 CB LYS A 50 -4.482 8.353 -4.943 1.00 0.00 C ATOM 724 CG LYS A 50 -3.792 9.067 -6.107 1.00 0.00 C ATOM 725 CD LYS A 50 -3.767 10.580 -5.885 1.00 0.00 C ATOM 726 CE LYS A 50 -2.567 11.218 -6.588 1.00 0.00 C ATOM 727 NZ LYS A 50 -2.990 11.864 -7.851 1.00 0.00 N ATOM 0 H LYS A 50 -6.536 7.862 -3.598 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.893 7.854 -6.426 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.870 9.089 -4.239 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -3.756 7.746 -4.402 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.773 8.695 -6.214 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -4.313 8.841 -7.037 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -4.690 11.022 -6.261 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -3.723 10.794 -4.817 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.104 11.956 -5.933 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.813 10.458 -6.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.164 12.292 -8.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.411 11.152 -8.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -3.693 12.603 -7.645 1.00 0.00 H new ATOM 741 N THR A 51 -4.542 5.745 -6.737 1.00 0.00 N ATOM 742 CA THR A 51 -4.098 4.397 -7.048 1.00 0.00 C ATOM 743 C THR A 51 -2.726 4.429 -7.722 1.00 0.00 C ATOM 744 O THR A 51 -2.282 5.478 -8.187 1.00 0.00 O ATOM 745 CB THR A 51 -5.179 3.729 -7.901 1.00 0.00 C ATOM 746 OG1 THR A 51 -6.387 3.975 -7.186 1.00 0.00 O ATOM 747 CG2 THR A 51 -5.057 2.204 -7.911 1.00 0.00 C ATOM 0 H THR A 51 -4.283 6.449 -7.428 1.00 0.00 H new ATOM 0 HA THR A 51 -3.966 3.805 -6.142 1.00 0.00 H new ATOM 0 HB THR A 51 -5.119 4.105 -8.922 1.00 0.00 H new ATOM 0 HG1 THR A 51 -7.086 3.366 -7.505 1.00 0.00 H new ATOM 0 HG21 THR A 51 -5.847 1.780 -8.530 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.086 1.919 -8.316 1.00 0.00 H new ATOM 0 HG23 THR A 51 -5.151 1.825 -6.893 1.00 0.00 H new ATOM 755 N GLY A 52 -2.090 3.266 -7.754 1.00 0.00 N ATOM 756 CA GLY A 52 -0.777 3.148 -8.364 1.00 0.00 C ATOM 757 C GLY A 52 -0.006 1.963 -7.779 1.00 0.00 C ATOM 758 O GLY A 52 -0.511 1.259 -6.905 1.00 0.00 O ATOM 0 H GLY A 52 -2.460 2.398 -7.367 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.883 3.022 -9.442 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.214 4.068 -8.204 1.00 0.00 H new ATOM 762 N MET A 53 1.205 1.778 -8.285 1.00 0.00 N ATOM 763 CA MET A 53 2.050 0.690 -7.824 1.00 0.00 C ATOM 764 C MET A 53 3.028 1.172 -6.751 1.00 0.00 C ATOM 765 O MET A 53 3.628 2.237 -6.887 1.00 0.00 O ATOM 766 CB MET A 53 2.833 0.115 -9.007 1.00 0.00 C ATOM 767 CG MET A 53 3.645 1.205 -9.709 1.00 0.00 C ATOM 768 SD MET A 53 5.369 0.746 -9.756 1.00 0.00 S ATOM 769 CE MET A 53 5.299 -0.602 -10.924 1.00 0.00 C ATOM 0 H MET A 53 1.621 2.363 -9.010 1.00 0.00 H new ATOM 0 HA MET A 53 1.413 -0.080 -7.389 1.00 0.00 H new ATOM 0 HB2 MET A 53 3.501 -0.673 -8.657 1.00 0.00 H new ATOM 0 HB3 MET A 53 2.143 -0.343 -9.716 1.00 0.00 H new ATOM 0 HG2 MET A 53 3.272 1.353 -10.722 1.00 0.00 H new ATOM 0 HG3 MET A 53 3.527 2.153 -9.184 1.00 0.00 H new ATOM 0 HE1 MET A 53 6.279 -0.740 -11.380 1.00 0.00 H new ATOM 0 HE2 MET A 53 5.007 -1.516 -10.407 1.00 0.00 H new ATOM 0 HE3 MET A 53 4.567 -0.374 -11.699 1.00 0.00 H new ATOM 779 N PHE A 54 3.158 0.365 -5.708 1.00 0.00 N ATOM 780 CA PHE A 54 4.052 0.697 -4.612 1.00 0.00 C ATOM 781 C PHE A 54 4.749 -0.555 -4.075 1.00 0.00 C ATOM 782 O PHE A 54 4.270 -1.671 -4.275 1.00 0.00 O ATOM 783 CB PHE A 54 3.193 1.304 -3.501 1.00 0.00 C ATOM 784 CG PHE A 54 2.354 0.280 -2.734 1.00 0.00 C ATOM 785 CD1 PHE A 54 1.113 -0.053 -3.181 1.00 0.00 C ATOM 786 CD2 PHE A 54 2.848 -0.296 -1.606 1.00 0.00 C ATOM 787 CE1 PHE A 54 0.334 -1.003 -2.469 1.00 0.00 C ATOM 788 CE2 PHE A 54 2.069 -1.246 -0.894 1.00 0.00 C ATOM 789 CZ PHE A 54 0.828 -1.579 -1.340 1.00 0.00 C ATOM 0 H PHE A 54 2.659 -0.518 -5.599 1.00 0.00 H new ATOM 0 HA PHE A 54 4.820 1.389 -4.956 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.842 1.826 -2.798 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.528 2.050 -3.936 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.721 0.405 -4.077 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.833 -0.031 -1.251 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -0.651 -1.268 -2.824 1.00 0.00 H new ATOM 0 HE2 PHE A 54 2.462 -1.704 0.002 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.235 -2.301 -0.798 1.00 0.00 H new ATOM 799 N PRO A 55 5.898 -0.323 -3.387 1.00 0.00 N ATOM 800 CA PRO A 55 6.666 -1.419 -2.820 1.00 0.00 C ATOM 801 C PRO A 55 5.986 -1.973 -1.566 1.00 0.00 C ATOM 802 O PRO A 55 5.604 -1.215 -0.676 1.00 0.00 O ATOM 803 CB PRO A 55 8.040 -0.833 -2.540 1.00 0.00 C ATOM 804 CG PRO A 55 7.856 0.675 -2.526 1.00 0.00 C ATOM 805 CD PRO A 55 6.496 0.984 -3.131 1.00 0.00 C ATOM 0 HA PRO A 55 6.741 -2.273 -3.494 1.00 0.00 H new ATOM 0 HB2 PRO A 55 8.428 -1.188 -1.585 1.00 0.00 H new ATOM 0 HB3 PRO A 55 8.755 -1.132 -3.306 1.00 0.00 H new ATOM 0 HG2 PRO A 55 7.916 1.058 -1.507 1.00 0.00 H new ATOM 0 HG3 PRO A 55 8.647 1.161 -3.097 1.00 0.00 H new ATOM 0 HD2 PRO A 55 5.883 1.573 -2.448 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.594 1.562 -4.050 1.00 0.00 H new ATOM 813 N SER A 56 5.856 -3.291 -1.536 1.00 0.00 N ATOM 814 CA SER A 56 5.229 -3.956 -0.406 1.00 0.00 C ATOM 815 C SER A 56 6.271 -4.243 0.677 1.00 0.00 C ATOM 816 O SER A 56 5.966 -4.879 1.684 1.00 0.00 O ATOM 817 CB SER A 56 4.544 -5.253 -0.840 1.00 0.00 C ATOM 818 OG SER A 56 5.465 -6.178 -1.410 1.00 0.00 O ATOM 0 H SER A 56 6.174 -3.917 -2.276 1.00 0.00 H new ATOM 0 HA SER A 56 4.466 -3.292 -0.000 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.056 -5.711 0.021 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.763 -5.025 -1.565 1.00 0.00 H new ATOM 0 HG SER A 56 4.982 -6.973 -1.719 1.00 0.00 H new ATOM 824 N ASN A 57 7.481 -3.761 0.431 1.00 0.00 N ATOM 825 CA ASN A 57 8.570 -3.958 1.372 1.00 0.00 C ATOM 826 C ASN A 57 8.779 -2.676 2.181 1.00 0.00 C ATOM 827 O ASN A 57 9.851 -2.460 2.743 1.00 0.00 O ATOM 828 CB ASN A 57 9.877 -4.275 0.643 1.00 0.00 C ATOM 829 CG ASN A 57 10.061 -5.785 0.479 1.00 0.00 C ATOM 830 OD1 ASN A 57 9.205 -6.582 0.825 1.00 0.00 O ATOM 831 ND2 ASN A 57 11.223 -6.132 -0.068 1.00 0.00 N ATOM 0 H ASN A 57 7.731 -3.235 -0.406 1.00 0.00 H new ATOM 0 HA ASN A 57 8.307 -4.793 2.021 1.00 0.00 H new ATOM 0 HB2 ASN A 57 9.877 -3.797 -0.336 1.00 0.00 H new ATOM 0 HB3 ASN A 57 10.718 -3.861 1.200 1.00 0.00 H new ATOM 0 HD21 ASN A 57 11.441 -7.117 -0.220 1.00 0.00 H new ATOM 0 HD22 ASN A 57 11.896 -5.413 -0.335 1.00 0.00 H new ATOM 838 N PHE A 58 7.736 -1.859 2.213 1.00 0.00 N ATOM 839 CA PHE A 58 7.791 -0.604 2.944 1.00 0.00 C ATOM 840 C PHE A 58 6.445 -0.292 3.600 1.00 0.00 C ATOM 841 O PHE A 58 6.053 0.870 3.700 1.00 0.00 O ATOM 842 CB PHE A 58 8.115 0.492 1.926 1.00 0.00 C ATOM 843 CG PHE A 58 9.610 0.660 1.647 1.00 0.00 C ATOM 844 CD1 PHE A 58 10.460 0.971 2.663 1.00 0.00 C ATOM 845 CD2 PHE A 58 10.089 0.499 0.385 1.00 0.00 C ATOM 846 CE1 PHE A 58 11.848 1.127 2.404 1.00 0.00 C ATOM 847 CE2 PHE A 58 11.476 0.655 0.126 1.00 0.00 C ATOM 848 CZ PHE A 58 12.326 0.966 1.141 1.00 0.00 C ATOM 0 H PHE A 58 6.848 -2.042 1.745 1.00 0.00 H new ATOM 0 HA PHE A 58 8.543 -0.664 3.731 1.00 0.00 H new ATOM 0 HB2 PHE A 58 7.604 0.267 0.990 1.00 0.00 H new ATOM 0 HB3 PHE A 58 7.715 1.439 2.287 1.00 0.00 H new ATOM 0 HD1 PHE A 58 10.080 1.099 3.666 1.00 0.00 H new ATOM 0 HD2 PHE A 58 9.414 0.252 -0.421 1.00 0.00 H new ATOM 0 HE1 PHE A 58 12.523 1.373 3.210 1.00 0.00 H new ATOM 0 HE2 PHE A 58 11.856 0.527 -0.877 1.00 0.00 H new ATOM 0 HZ PHE A 58 13.381 1.085 0.944 1.00 0.00 H new ATOM 858 N ILE A 59 5.774 -1.350 4.032 1.00 0.00 N ATOM 859 CA ILE A 59 4.480 -1.203 4.676 1.00 0.00 C ATOM 860 C ILE A 59 4.377 -2.196 5.835 1.00 0.00 C ATOM 861 O ILE A 59 5.357 -2.851 6.185 1.00 0.00 O ATOM 862 CB ILE A 59 3.352 -1.336 3.650 1.00 0.00 C ATOM 863 CG1 ILE A 59 3.573 -2.552 2.748 1.00 0.00 C ATOM 864 CG2 ILE A 59 3.189 -0.046 2.844 1.00 0.00 C ATOM 865 CD1 ILE A 59 3.016 -3.822 3.393 1.00 0.00 C ATOM 0 H ILE A 59 6.102 -2.312 3.949 1.00 0.00 H new ATOM 0 HA ILE A 59 4.377 -0.204 5.101 1.00 0.00 H new ATOM 0 HB ILE A 59 2.418 -1.499 4.188 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.090 -2.387 1.785 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.638 -2.676 2.553 1.00 0.00 H new ATOM 0 HG21 ILE A 59 2.381 -0.167 2.122 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.952 0.777 3.518 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.117 0.173 2.316 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.186 -4.671 2.731 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.518 -3.997 4.344 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.946 -3.704 3.564 1.00 0.00 H new ATOM 877 N LYS A 60 3.180 -2.277 6.398 1.00 0.00 N ATOM 878 CA LYS A 60 2.936 -3.180 7.511 1.00 0.00 C ATOM 879 C LYS A 60 1.496 -3.690 7.442 1.00 0.00 C ATOM 880 O LYS A 60 0.557 -2.948 7.728 1.00 0.00 O ATOM 881 CB LYS A 60 3.286 -2.502 8.837 1.00 0.00 C ATOM 882 CG LYS A 60 2.514 -1.192 9.004 1.00 0.00 C ATOM 883 CD LYS A 60 2.901 -0.489 10.306 1.00 0.00 C ATOM 884 CE LYS A 60 2.837 1.032 10.148 1.00 0.00 C ATOM 885 NZ LYS A 60 2.736 1.687 11.472 1.00 0.00 N ATOM 0 H LYS A 60 2.369 -1.733 6.105 1.00 0.00 H new ATOM 0 HA LYS A 60 3.586 -4.052 7.444 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.055 -3.173 9.665 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.357 -2.305 8.877 1.00 0.00 H new ATOM 0 HG2 LYS A 60 2.717 -0.536 8.158 1.00 0.00 H new ATOM 0 HG3 LYS A 60 1.443 -1.394 9.000 1.00 0.00 H new ATOM 0 HD2 LYS A 60 2.231 -0.804 11.106 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.908 -0.786 10.598 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.726 1.387 9.627 1.00 0.00 H new ATOM 0 HE3 LYS A 60 1.978 1.304 9.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.694 2.719 11.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 1.875 1.361 11.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.569 1.442 12.045 1.00 0.00 H new ATOM 899 N GLU A 61 1.366 -4.952 7.061 1.00 0.00 N ATOM 900 CA GLU A 61 0.055 -5.569 6.951 1.00 0.00 C ATOM 901 C GLU A 61 -0.704 -5.443 8.273 1.00 0.00 C ATOM 902 O GLU A 61 -0.124 -5.073 9.293 1.00 0.00 O ATOM 903 CB GLU A 61 0.173 -7.034 6.524 1.00 0.00 C ATOM 904 CG GLU A 61 1.217 -7.200 5.417 1.00 0.00 C ATOM 905 CD GLU A 61 2.402 -8.038 5.903 1.00 0.00 C ATOM 906 OE1 GLU A 61 2.249 -9.278 5.925 1.00 0.00 O ATOM 907 OE2 GLU A 61 3.434 -7.418 6.240 1.00 0.00 O ATOM 0 H GLU A 61 2.147 -5.564 6.825 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.509 -5.044 6.180 1.00 0.00 H new ATOM 0 HB2 GLU A 61 0.448 -7.646 7.383 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -0.794 -7.393 6.173 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.760 -7.677 4.550 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.568 -6.220 5.093 1.00 0.00 H new ATOM 914 N LEU A 62 -1.989 -5.758 8.213 1.00 0.00 N ATOM 915 CA LEU A 62 -2.834 -5.685 9.394 1.00 0.00 C ATOM 916 C LEU A 62 -3.882 -6.798 9.335 1.00 0.00 C ATOM 917 O LEU A 62 -4.898 -6.663 8.655 1.00 0.00 O ATOM 918 CB LEU A 62 -3.431 -4.284 9.539 1.00 0.00 C ATOM 919 CG LEU A 62 -2.486 -3.118 9.242 1.00 0.00 C ATOM 920 CD1 LEU A 62 -3.269 -1.860 8.861 1.00 0.00 C ATOM 921 CD2 LEU A 62 -1.538 -2.868 10.417 1.00 0.00 C ATOM 0 H LEU A 62 -2.466 -6.064 7.365 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.245 -5.850 10.296 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.291 -4.207 8.874 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.804 -4.173 10.557 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.872 -3.387 8.383 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.573 -1.047 8.655 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.868 -2.059 7.972 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.925 -1.577 9.684 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.877 -2.034 10.180 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.118 -2.629 11.308 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.943 -3.762 10.601 1.00 0.00 H new ATOM 933 N SER A 63 -3.600 -7.872 10.058 1.00 0.00 N ATOM 934 CA SER A 63 -4.506 -9.007 10.097 1.00 0.00 C ATOM 935 C SER A 63 -5.908 -8.544 10.499 1.00 0.00 C ATOM 936 O SER A 63 -6.112 -8.070 11.616 1.00 0.00 O ATOM 937 CB SER A 63 -4.004 -10.080 11.064 1.00 0.00 C ATOM 938 OG SER A 63 -3.262 -11.096 10.396 1.00 0.00 O ATOM 0 H SER A 63 -2.757 -7.980 10.621 1.00 0.00 H new ATOM 0 HA SER A 63 -4.547 -9.446 9.100 1.00 0.00 H new ATOM 0 HB2 SER A 63 -3.378 -9.616 11.827 1.00 0.00 H new ATOM 0 HB3 SER A 63 -4.853 -10.530 11.578 1.00 0.00 H new ATOM 0 HG SER A 63 -2.958 -11.761 11.048 1.00 0.00 H new ATOM 944 N GLY A 64 -6.837 -8.697 9.567 1.00 0.00 N ATOM 945 CA GLY A 64 -8.214 -8.300 9.811 1.00 0.00 C ATOM 946 C GLY A 64 -8.847 -9.161 10.906 1.00 0.00 C ATOM 947 O GLY A 64 -8.265 -10.158 11.330 1.00 0.00 O ATOM 0 H GLY A 64 -6.664 -9.090 8.642 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -8.247 -7.251 10.104 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -8.791 -8.393 8.891 1.00 0.00 H new ATOM 951 N PRO A 65 -10.061 -8.733 11.343 1.00 0.00 N ATOM 952 CA PRO A 65 -10.780 -9.453 12.380 1.00 0.00 C ATOM 953 C PRO A 65 -11.394 -10.741 11.829 1.00 0.00 C ATOM 954 O PRO A 65 -11.306 -11.795 12.458 1.00 0.00 O ATOM 955 CB PRO A 65 -11.821 -8.471 12.893 1.00 0.00 C ATOM 956 CG PRO A 65 -11.956 -7.407 11.816 1.00 0.00 C ATOM 957 CD PRO A 65 -10.780 -7.556 10.863 1.00 0.00 C ATOM 0 HA PRO A 65 -10.130 -9.782 13.190 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -12.774 -8.969 13.071 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -11.509 -8.031 13.840 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -12.898 -7.523 11.281 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -11.963 -6.412 12.261 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -11.118 -7.690 9.835 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -10.144 -6.671 10.877 1.00 0.00 H new ATOM 965 N SER A 66 -12.002 -10.615 10.658 1.00 0.00 N ATOM 966 CA SER A 66 -12.631 -11.756 10.015 1.00 0.00 C ATOM 967 C SER A 66 -13.961 -12.075 10.698 1.00 0.00 C ATOM 968 O SER A 66 -15.011 -12.065 10.057 1.00 0.00 O ATOM 969 CB SER A 66 -11.712 -12.980 10.043 1.00 0.00 C ATOM 970 OG SER A 66 -11.577 -13.576 8.756 1.00 0.00 O ATOM 0 H SER A 66 -12.072 -9.740 10.138 1.00 0.00 H new ATOM 0 HA SER A 66 -12.819 -11.500 8.972 1.00 0.00 H new ATOM 0 HB2 SER A 66 -10.729 -12.687 10.412 1.00 0.00 H new ATOM 0 HB3 SER A 66 -12.109 -13.715 10.743 1.00 0.00 H new ATOM 0 HG SER A 66 -10.982 -14.352 8.816 1.00 0.00 H new ATOM 976 N SER A 67 -13.875 -12.350 11.992 1.00 0.00 N ATOM 977 CA SER A 67 -15.059 -12.672 12.769 1.00 0.00 C ATOM 978 C SER A 67 -15.963 -11.442 12.879 1.00 0.00 C ATOM 979 O SER A 67 -17.122 -11.480 12.467 1.00 0.00 O ATOM 980 CB SER A 67 -14.683 -13.179 14.163 1.00 0.00 C ATOM 981 OG SER A 67 -14.578 -14.599 14.204 1.00 0.00 O ATOM 0 H SER A 67 -13.003 -12.356 12.521 1.00 0.00 H new ATOM 0 HA SER A 67 -15.598 -13.468 12.255 1.00 0.00 H new ATOM 0 HB2 SER A 67 -13.734 -12.736 14.466 1.00 0.00 H new ATOM 0 HB3 SER A 67 -15.432 -12.850 14.883 1.00 0.00 H new ATOM 0 HG SER A 67 -14.335 -14.883 15.110 1.00 0.00 H new ATOM 987 N GLY A 68 -15.399 -10.380 13.435 1.00 0.00 N ATOM 988 CA GLY A 68 -16.140 -9.142 13.604 1.00 0.00 C ATOM 989 C GLY A 68 -15.284 -8.082 14.300 1.00 0.00 C ATOM 990 O GLY A 68 -15.743 -6.966 14.538 1.00 0.00 O ATOM 0 H GLY A 68 -14.437 -10.351 13.774 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -16.464 -8.772 12.631 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -17.040 -9.330 14.189 1.00 0.00 H new TER 994 GLY A 68