USER MOD reduce.3.24.130724 H: found=0, std=0, add=359, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 356 hydrogens (64 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 ASP N :NH3+ -143:sc= 0.295 (180deg=0.00537) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 101 23Y OB3 : rot 180:sc= 0 USER MOD Single : A 101 23Y OC2 : rot 180:sc= 0 USER MOD Single : A 101 23Y OC4 : rot 180:sc= 0 USER MOD Single : A 101 23Y OE2 : rot 180:sc= 0 USER MOD Single : A 101 23Y OF2 : rot 180:sc= 0 USER MOD Single : A 101 23Y OF3 : rot -160:sc= 0 USER MOD Single : A 101 23Y OF4 : rot 180:sc= 0 USER MOD Single : A 101 23Y OF6 : rot 27:sc= 0.00292 USER MOD Single : A 102 23Y OB3 : rot 180:sc= 0 USER MOD Single : A 102 23Y OC2 : rot 180:sc= 0 USER MOD Single : A 102 23Y OC4 : rot 180:sc= 0 USER MOD Single : A 102 23Y OE2 : rot -120:sc= 0.0965 USER MOD Single : A 102 23Y OF2 : rot 180:sc= 0 USER MOD Single : A 102 23Y OF3 : rot -169:sc= 0 USER MOD Single : A 102 23Y OF4 : rot 180:sc= 0 USER MOD Single : A 102 23Y OF6 : rot 33:sc=0.000464 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 43.666 91.205 16.434 1.00 0.00 N ATOM 2 CA ASP A 1 43.223 91.371 15.023 1.00 0.00 C ATOM 3 C ASP A 1 42.259 90.241 14.521 1.00 0.00 C ATOM 4 O ASP A 1 41.132 90.550 14.129 1.00 0.00 O ATOM 5 CB ASP A 1 44.457 91.656 14.130 1.00 0.00 C ATOM 6 CG ASP A 1 45.443 90.501 13.979 1.00 0.00 C ATOM 7 OD1 ASP A 1 45.959 90.046 15.022 1.00 0.00 O ATOM 8 OD2 ASP A 1 45.624 89.995 12.855 1.00 0.00 O ATOM 0 H1 ASP A 1 43.728 92.137 16.890 1.00 0.00 H new ATOM 0 H2 ASP A 1 42.980 90.614 16.946 1.00 0.00 H new ATOM 0 H3 ASP A 1 44.600 90.747 16.453 1.00 0.00 H new ATOM 0 HA ASP A 1 42.577 92.246 14.953 1.00 0.00 H new ATOM 0 HB2 ASP A 1 44.107 91.943 13.138 1.00 0.00 H new ATOM 0 HB3 ASP A 1 44.990 92.514 14.541 1.00 0.00 H new ATOM 15 N ALA A 2 42.662 88.952 14.560 1.00 0.00 N ATOM 16 CA ALA A 2 41.789 87.827 14.144 1.00 0.00 C ATOM 17 C ALA A 2 40.944 87.294 15.340 1.00 0.00 C ATOM 18 O ALA A 2 41.408 86.478 16.145 1.00 0.00 O ATOM 19 CB ALA A 2 42.701 86.761 13.505 1.00 0.00 C ATOM 0 H ALA A 2 43.588 88.662 14.876 1.00 0.00 H new ATOM 0 HA ALA A 2 41.049 88.146 13.410 1.00 0.00 H new ATOM 0 HB1 ALA A 2 42.098 85.912 13.183 1.00 0.00 H new ATOM 0 HB2 ALA A 2 43.213 87.190 12.644 1.00 0.00 H new ATOM 0 HB3 ALA A 2 43.437 86.427 14.236 1.00 0.00 H new ATOM 25 N GLU A 3 39.690 87.769 15.449 1.00 0.00 N ATOM 26 CA GLU A 3 38.744 87.321 16.509 1.00 0.00 C ATOM 27 C GLU A 3 37.902 86.095 16.021 1.00 0.00 C ATOM 28 O GLU A 3 36.770 86.216 15.543 1.00 0.00 O ATOM 29 CB GLU A 3 37.967 88.548 17.067 1.00 0.00 C ATOM 30 CG GLU A 3 36.923 89.254 16.161 1.00 0.00 C ATOM 31 CD GLU A 3 36.333 90.511 16.779 1.00 0.00 C ATOM 32 OE1 GLU A 3 36.925 91.596 16.597 1.00 0.00 O ATOM 33 OE2 GLU A 3 35.278 90.421 17.440 1.00 0.00 O ATOM 0 H GLU A 3 39.299 88.467 14.816 1.00 0.00 H new ATOM 0 HA GLU A 3 39.269 86.921 17.377 1.00 0.00 H new ATOM 0 HB2 GLU A 3 37.453 88.227 17.973 1.00 0.00 H new ATOM 0 HB3 GLU A 3 38.702 89.295 17.365 1.00 0.00 H new ATOM 0 HG2 GLU A 3 37.393 89.512 15.212 1.00 0.00 H new ATOM 0 HG3 GLU A 3 36.116 88.556 15.938 1.00 0.00 H new ATOM 40 N PHE A 4 38.499 84.893 16.112 1.00 0.00 N ATOM 41 CA PHE A 4 37.866 83.635 15.635 1.00 0.00 C ATOM 42 C PHE A 4 38.294 82.477 16.586 1.00 0.00 C ATOM 43 O PHE A 4 39.484 82.164 16.709 1.00 0.00 O ATOM 44 CB PHE A 4 38.249 83.376 14.146 1.00 0.00 C ATOM 45 CG PHE A 4 37.295 82.422 13.405 1.00 0.00 C ATOM 46 CD1 PHE A 4 36.175 82.936 12.740 1.00 0.00 C ATOM 47 CD2 PHE A 4 37.527 81.042 13.391 1.00 0.00 C ATOM 48 CE1 PHE A 4 35.303 82.082 12.069 1.00 0.00 C ATOM 49 CE2 PHE A 4 36.653 80.189 12.720 1.00 0.00 C ATOM 50 CZ PHE A 4 35.543 80.710 12.058 1.00 0.00 C ATOM 0 H PHE A 4 39.427 84.759 16.514 1.00 0.00 H new ATOM 0 HA PHE A 4 36.779 83.708 15.663 1.00 0.00 H new ATOM 0 HB2 PHE A 4 38.274 84.329 13.618 1.00 0.00 H new ATOM 0 HB3 PHE A 4 39.258 82.964 14.108 1.00 0.00 H new ATOM 0 HD1 PHE A 4 35.986 83.999 12.747 1.00 0.00 H new ATOM 0 HD2 PHE A 4 38.387 80.636 13.903 1.00 0.00 H new ATOM 0 HE1 PHE A 4 34.441 82.484 11.557 1.00 0.00 H new ATOM 0 HE2 PHE A 4 36.836 79.125 12.713 1.00 0.00 H new ATOM 0 HZ PHE A 4 34.868 80.049 11.535 1.00 0.00 H new ATOM 60 N ARG A 5 37.321 81.835 17.255 1.00 0.00 N ATOM 61 CA ARG A 5 37.593 80.657 18.125 1.00 0.00 C ATOM 62 C ARG A 5 37.563 79.344 17.278 1.00 0.00 C ATOM 63 O ARG A 5 36.551 79.006 16.655 1.00 0.00 O ATOM 64 CB ARG A 5 36.564 80.599 19.291 1.00 0.00 C ATOM 65 CG ARG A 5 36.663 81.693 20.389 1.00 0.00 C ATOM 66 CD ARG A 5 37.753 81.469 21.462 1.00 0.00 C ATOM 67 NE ARG A 5 37.677 82.582 22.451 1.00 0.00 N ATOM 68 CZ ARG A 5 38.478 82.753 23.504 1.00 0.00 C ATOM 69 NH1 ARG A 5 39.460 81.944 23.817 1.00 0.00 N ATOM 70 NH2 ARG A 5 38.273 83.787 24.271 1.00 0.00 N ATOM 0 H ARG A 5 36.338 82.104 17.216 1.00 0.00 H new ATOM 0 HA ARG A 5 38.588 80.757 18.559 1.00 0.00 H new ATOM 0 HB2 ARG A 5 35.564 80.645 18.860 1.00 0.00 H new ATOM 0 HB3 ARG A 5 36.658 79.627 19.775 1.00 0.00 H new ATOM 0 HG2 ARG A 5 36.847 82.652 19.905 1.00 0.00 H new ATOM 0 HG3 ARG A 5 35.697 81.769 20.889 1.00 0.00 H new ATOM 0 HD2 ARG A 5 37.605 80.510 21.958 1.00 0.00 H new ATOM 0 HD3 ARG A 5 38.740 81.439 21.000 1.00 0.00 H new ATOM 0 HE ARG A 5 36.944 83.277 22.309 1.00 0.00 H new ATOM 0 HH11 ARG A 5 39.649 81.124 23.240 1.00 0.00 H new ATOM 0 HH12 ARG A 5 40.035 82.134 24.638 1.00 0.00 H new ATOM 0 HH21 ARG A 5 37.517 84.438 24.058 1.00 0.00 H new ATOM 0 HH22 ARG A 5 38.869 83.945 25.084 1.00 0.00 H new ATOM 84 N HIS A 6 38.681 78.605 17.281 1.00 0.00 N ATOM 85 CA HIS A 6 38.799 77.302 16.571 1.00 0.00 C ATOM 86 C HIS A 6 38.447 76.126 17.533 1.00 0.00 C ATOM 87 O HIS A 6 39.042 75.985 18.608 1.00 0.00 O ATOM 88 CB HIS A 6 40.242 77.152 16.013 1.00 0.00 C ATOM 89 CG HIS A 6 40.567 78.029 14.803 1.00 0.00 C ATOM 90 ND1 HIS A 6 41.161 79.280 14.894 1.00 0.00 N ATOM 91 CD2 HIS A 6 40.321 77.689 13.461 1.00 0.00 C ATOM 92 CE1 HIS A 6 41.216 79.593 13.560 1.00 0.00 C ATOM 93 NE2 HIS A 6 40.739 78.710 12.627 1.00 0.00 N ATOM 0 H HIS A 6 39.532 78.883 17.770 1.00 0.00 H new ATOM 0 HA HIS A 6 38.094 77.274 15.740 1.00 0.00 H new ATOM 0 HB2 HIS A 6 40.948 77.384 16.810 1.00 0.00 H new ATOM 0 HB3 HIS A 6 40.402 76.109 15.739 1.00 0.00 H new ATOM 0 HD2 HIS A 6 39.871 76.765 13.130 1.00 0.00 H new ATOM 0 HE1 HIS A 6 41.636 80.537 13.244 1.00 0.00 H new ATOM 0 HE2 HIS A 6 40.703 78.784 11.610 1.00 0.00 H new ATOM 101 N ASP A 7 37.498 75.269 17.123 1.00 0.00 N ATOM 102 CA ASP A 7 37.105 74.067 17.904 1.00 0.00 C ATOM 103 C ASP A 7 38.028 72.854 17.545 1.00 0.00 C ATOM 104 O ASP A 7 38.126 72.439 16.384 1.00 0.00 O ATOM 105 CB ASP A 7 35.601 73.812 17.635 1.00 0.00 C ATOM 106 CG ASP A 7 34.960 72.821 18.605 1.00 0.00 C ATOM 107 OD1 ASP A 7 34.874 73.136 19.811 1.00 0.00 O ATOM 108 OD2 ASP A 7 34.548 71.727 18.166 1.00 0.00 O ATOM 0 H ASP A 7 36.981 75.381 16.251 1.00 0.00 H new ATOM 0 HA ASP A 7 37.240 74.218 18.975 1.00 0.00 H new ATOM 0 HB2 ASP A 7 35.066 74.760 17.692 1.00 0.00 H new ATOM 0 HB3 ASP A 7 35.482 73.439 16.618 1.00 0.00 H new ATOM 113 N SER A 8 38.727 72.316 18.557 1.00 0.00 N ATOM 114 CA SER A 8 39.649 71.157 18.391 1.00 0.00 C ATOM 115 C SER A 8 39.257 69.981 19.339 1.00 0.00 C ATOM 116 O SER A 8 39.059 70.173 20.544 1.00 0.00 O ATOM 117 CB SER A 8 41.108 71.630 18.604 1.00 0.00 C ATOM 118 OG SER A 8 41.335 72.155 19.912 1.00 0.00 O ATOM 0 H SER A 8 38.677 72.663 19.515 1.00 0.00 H new ATOM 0 HA SER A 8 39.563 70.767 17.377 1.00 0.00 H new ATOM 0 HB2 SER A 8 41.785 70.793 18.431 1.00 0.00 H new ATOM 0 HB3 SER A 8 41.349 72.393 17.864 1.00 0.00 H new ATOM 0 HG SER A 8 42.270 72.437 19.994 1.00 0.00 H new ATOM 124 N GLY A 9 39.156 68.756 18.789 1.00 0.00 N ATOM 125 CA GLY A 9 38.837 67.542 19.592 1.00 0.00 C ATOM 126 C GLY A 9 40.066 66.824 20.184 1.00 0.00 C ATOM 127 O GLY A 9 40.355 66.963 21.373 1.00 0.00 O ATOM 0 H GLY A 9 39.289 68.573 17.794 1.00 0.00 H new ATOM 0 HA2 GLY A 9 38.171 67.826 20.407 1.00 0.00 H new ATOM 0 HA3 GLY A 9 38.290 66.840 18.963 1.00 0.00 H new ATOM 131 N TYR A 10 40.781 66.049 19.353 1.00 0.00 N ATOM 132 CA TYR A 10 42.056 65.395 19.759 1.00 0.00 C ATOM 133 C TYR A 10 43.267 66.389 19.780 1.00 0.00 C ATOM 134 O TYR A 10 43.579 67.032 18.773 1.00 0.00 O ATOM 135 CB TYR A 10 42.309 64.122 18.893 1.00 0.00 C ATOM 136 CG TYR A 10 42.458 64.271 17.361 1.00 0.00 C ATOM 137 CD1 TYR A 10 43.683 64.650 16.799 1.00 0.00 C ATOM 138 CD2 TYR A 10 41.367 64.032 16.519 1.00 0.00 C ATOM 139 CE1 TYR A 10 43.813 64.794 15.421 1.00 0.00 C ATOM 140 CE2 TYR A 10 41.498 64.178 15.138 1.00 0.00 C ATOM 141 CZ TYR A 10 42.722 64.557 14.592 1.00 0.00 C ATOM 142 OH TYR A 10 42.857 64.716 13.239 1.00 0.00 O ATOM 0 H TYR A 10 40.505 65.854 18.391 1.00 0.00 H new ATOM 0 HA TYR A 10 41.956 65.068 20.794 1.00 0.00 H new ATOM 0 HB2 TYR A 10 43.216 63.646 19.266 1.00 0.00 H new ATOM 0 HB3 TYR A 10 41.487 63.431 19.077 1.00 0.00 H new ATOM 0 HD1 TYR A 10 44.533 64.832 17.440 1.00 0.00 H new ATOM 0 HD2 TYR A 10 40.419 63.733 16.940 1.00 0.00 H new ATOM 0 HE1 TYR A 10 44.761 65.090 14.996 1.00 0.00 H new ATOM 0 HE2 TYR A 10 40.651 63.997 14.493 1.00 0.00 H new ATOM 0 HH TYR A 10 42.006 64.511 12.799 1.00 0.00 H new ATOM 152 N GLU A 11 43.965 66.484 20.924 1.00 0.00 N ATOM 153 CA GLU A 11 45.174 67.347 21.062 1.00 0.00 C ATOM 154 C GLU A 11 46.474 66.510 20.796 1.00 0.00 C ATOM 155 O GLU A 11 47.183 66.092 21.717 1.00 0.00 O ATOM 156 CB GLU A 11 45.082 68.028 22.458 1.00 0.00 C ATOM 157 CG GLU A 11 46.097 69.171 22.729 1.00 0.00 C ATOM 158 CD GLU A 11 45.818 70.503 22.042 1.00 0.00 C ATOM 159 OE1 GLU A 11 46.133 70.646 20.841 1.00 0.00 O ATOM 160 OE2 GLU A 11 45.321 71.426 22.721 1.00 0.00 O ATOM 0 H GLU A 11 43.720 65.977 21.774 1.00 0.00 H new ATOM 0 HA GLU A 11 45.222 68.140 20.315 1.00 0.00 H new ATOM 0 HB2 GLU A 11 44.075 68.428 22.579 1.00 0.00 H new ATOM 0 HB3 GLU A 11 45.215 67.263 23.222 1.00 0.00 H new ATOM 0 HG2 GLU A 11 46.138 69.343 23.804 1.00 0.00 H new ATOM 0 HG3 GLU A 11 47.086 68.829 22.423 1.00 0.00 H new ATOM 167 N VAL A 12 46.760 66.258 19.506 1.00 0.00 N ATOM 168 CA VAL A 12 48.000 65.566 19.041 1.00 0.00 C ATOM 169 C VAL A 12 48.362 66.189 17.654 1.00 0.00 C ATOM 170 O VAL A 12 47.672 65.958 16.656 1.00 0.00 O ATOM 171 CB VAL A 12 47.961 63.988 19.006 1.00 0.00 C ATOM 172 CG1 VAL A 12 48.025 63.339 20.405 1.00 0.00 C ATOM 173 CG2 VAL A 12 46.792 63.332 18.236 1.00 0.00 C ATOM 0 H VAL A 12 46.139 66.527 18.742 1.00 0.00 H new ATOM 0 HA VAL A 12 48.776 65.738 19.787 1.00 0.00 H new ATOM 0 HB VAL A 12 48.870 63.784 18.439 1.00 0.00 H new ATOM 0 HG11 VAL A 12 47.994 62.254 20.305 1.00 0.00 H new ATOM 0 HG12 VAL A 12 48.951 63.631 20.900 1.00 0.00 H new ATOM 0 HG13 VAL A 12 47.175 63.673 21.000 1.00 0.00 H new ATOM 0 HG21 VAL A 12 46.884 62.247 18.290 1.00 0.00 H new ATOM 0 HG22 VAL A 12 45.846 63.638 18.681 1.00 0.00 H new ATOM 0 HG23 VAL A 12 46.821 63.647 17.193 1.00 0.00 H new ATOM 183 N HIS A 13 49.433 67.002 17.589 1.00 0.00 N ATOM 184 CA HIS A 13 49.832 67.705 16.330 1.00 0.00 C ATOM 185 C HIS A 13 50.678 66.809 15.364 1.00 0.00 C ATOM 186 O HIS A 13 50.285 66.639 14.208 1.00 0.00 O ATOM 187 CB HIS A 13 50.513 69.065 16.664 1.00 0.00 C ATOM 188 CG HIS A 13 49.581 70.162 17.192 1.00 0.00 C ATOM 189 ND1 HIS A 13 48.892 71.044 16.369 1.00 0.00 N ATOM 190 CD2 HIS A 13 49.303 70.427 18.546 1.00 0.00 C ATOM 191 CE1 HIS A 13 48.234 71.771 17.332 1.00 0.00 C ATOM 192 NE2 HIS A 13 48.428 71.491 18.658 1.00 0.00 N ATOM 0 H HIS A 13 50.043 67.195 18.384 1.00 0.00 H new ATOM 0 HA HIS A 13 48.923 67.921 15.769 1.00 0.00 H new ATOM 0 HB2 HIS A 13 51.292 68.888 17.405 1.00 0.00 H new ATOM 0 HB3 HIS A 13 51.006 69.434 15.765 1.00 0.00 H new ATOM 0 HD2 HIS A 13 49.715 69.877 19.379 1.00 0.00 H new ATOM 0 HE1 HIS A 13 47.562 72.565 17.042 1.00 0.00 H new ATOM 0 HE2 HIS A 13 48.039 71.938 19.488 1.00 0.00 H new ATOM 200 N HIS A 14 51.826 66.257 15.809 1.00 0.00 N ATOM 201 CA HIS A 14 52.682 65.358 14.977 1.00 0.00 C ATOM 202 C HIS A 14 53.224 64.184 15.856 1.00 0.00 C ATOM 203 O HIS A 14 53.808 64.410 16.922 1.00 0.00 O ATOM 204 CB HIS A 14 53.861 66.146 14.333 1.00 0.00 C ATOM 205 CG HIS A 14 53.476 67.123 13.221 1.00 0.00 C ATOM 206 ND1 HIS A 14 53.384 66.771 11.881 1.00 0.00 N ATOM 207 CD2 HIS A 14 53.142 68.476 13.405 1.00 0.00 C ATOM 208 CE1 HIS A 14 52.979 67.978 11.368 1.00 0.00 C ATOM 209 NE2 HIS A 14 52.810 69.057 12.196 1.00 0.00 N ATOM 0 H HIS A 14 52.192 66.415 16.748 1.00 0.00 H new ATOM 0 HA HIS A 14 52.074 64.950 14.169 1.00 0.00 H new ATOM 0 HB2 HIS A 14 54.374 66.701 15.118 1.00 0.00 H new ATOM 0 HB3 HIS A 14 54.576 65.429 13.930 1.00 0.00 H new ATOM 0 HD2 HIS A 14 53.145 68.988 14.356 1.00 0.00 H new ATOM 0 HE1 HIS A 14 52.793 68.078 10.309 1.00 0.00 H new ATOM 0 HE2 HIS A 14 52.523 70.012 11.982 1.00 0.00 H new ATOM 217 N GLN A 15 53.071 62.929 15.391 1.00 0.00 N ATOM 218 CA GLN A 15 53.665 61.736 16.066 1.00 0.00 C ATOM 219 C GLN A 15 55.152 61.520 15.627 1.00 0.00 C ATOM 220 O GLN A 15 55.446 61.455 14.427 1.00 0.00 O ATOM 221 CB GLN A 15 52.840 60.457 15.722 1.00 0.00 C ATOM 222 CG GLN A 15 51.385 60.354 16.258 1.00 0.00 C ATOM 223 CD GLN A 15 51.245 60.148 17.772 1.00 0.00 C ATOM 224 OE1 GLN A 15 51.161 61.090 18.551 1.00 0.00 O ATOM 225 NE2 GLN A 15 51.204 58.922 18.239 1.00 0.00 N ATOM 0 H GLN A 15 52.541 62.704 14.549 1.00 0.00 H new ATOM 0 HA GLN A 15 53.638 61.915 17.141 1.00 0.00 H new ATOM 0 HB2 GLN A 15 52.802 60.368 14.636 1.00 0.00 H new ATOM 0 HB3 GLN A 15 53.393 59.594 16.093 1.00 0.00 H new ATOM 0 HG2 GLN A 15 50.851 61.264 15.983 1.00 0.00 H new ATOM 0 HG3 GLN A 15 50.888 59.527 15.750 1.00 0.00 H new ATOM 0 HE21 GLN A 15 51.273 58.130 17.600 1.00 0.00 H new ATOM 0 HE22 GLN A 15 51.103 58.761 19.241 1.00 0.00 H new ATOM 234 N LYS A 16 56.087 61.326 16.581 1.00 0.00 N ATOM 235 CA LYS A 16 57.501 60.942 16.253 1.00 0.00 C ATOM 236 C LYS A 16 57.643 59.384 16.073 1.00 0.00 C ATOM 237 O LYS A 16 58.252 58.677 16.878 1.00 0.00 O ATOM 238 CB LYS A 16 58.424 61.621 17.311 1.00 0.00 C ATOM 239 CG LYS A 16 59.933 61.778 16.971 1.00 0.00 C ATOM 240 CD LYS A 16 60.807 60.529 17.240 1.00 0.00 C ATOM 241 CE LYS A 16 62.327 60.726 17.061 1.00 0.00 C ATOM 242 NZ LYS A 16 62.719 60.704 15.623 1.00 0.00 N ATOM 0 H LYS A 16 55.903 61.425 17.579 1.00 0.00 H new ATOM 0 HA LYS A 16 57.824 61.313 15.280 1.00 0.00 H new ATOM 0 HB2 LYS A 16 58.023 62.614 17.516 1.00 0.00 H new ATOM 0 HB3 LYS A 16 58.348 61.050 18.236 1.00 0.00 H new ATOM 0 HG2 LYS A 16 60.025 62.045 15.918 1.00 0.00 H new ATOM 0 HG3 LYS A 16 60.333 62.612 17.548 1.00 0.00 H new ATOM 0 HD2 LYS A 16 60.620 60.190 18.259 1.00 0.00 H new ATOM 0 HD3 LYS A 16 60.482 59.730 16.574 1.00 0.00 H new ATOM 0 HE2 LYS A 16 62.626 61.675 17.505 1.00 0.00 H new ATOM 0 HE3 LYS A 16 62.861 59.941 17.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 63.747 60.839 15.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 62.456 59.789 15.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 62.228 61.469 15.118 1.00 0.00 H new ATOM 256 N LEU A 17 57.044 58.884 14.979 1.00 0.00 N ATOM 257 CA LEU A 17 56.965 57.446 14.579 1.00 0.00 C ATOM 258 C LEU A 17 56.115 57.382 13.265 1.00 0.00 C ATOM 259 O LEU A 17 55.185 58.180 13.078 1.00 0.00 O ATOM 260 CB LEU A 17 56.503 56.424 15.679 1.00 0.00 C ATOM 261 CG LEU A 17 55.170 56.627 16.458 1.00 0.00 C ATOM 262 CD1 LEU A 17 53.918 56.223 15.659 1.00 0.00 C ATOM 263 CD2 LEU A 17 55.174 55.803 17.762 1.00 0.00 C ATOM 0 H LEU A 17 56.575 59.492 14.308 1.00 0.00 H new ATOM 0 HA LEU A 17 57.983 57.094 14.412 1.00 0.00 H new ATOM 0 HB2 LEU A 17 56.447 55.446 15.202 1.00 0.00 H new ATOM 0 HB3 LEU A 17 57.300 56.372 16.420 1.00 0.00 H new ATOM 0 HG LEU A 17 55.118 57.697 16.659 1.00 0.00 H new ATOM 0 HD11 LEU A 17 53.029 56.392 16.266 1.00 0.00 H new ATOM 0 HD12 LEU A 17 53.857 56.822 14.751 1.00 0.00 H new ATOM 0 HD13 LEU A 17 53.981 55.168 15.394 1.00 0.00 H new ATOM 0 HD21 LEU A 17 54.235 55.957 18.293 1.00 0.00 H new ATOM 0 HD22 LEU A 17 55.286 54.745 17.524 1.00 0.00 H new ATOM 0 HD23 LEU A 17 56.004 56.123 18.392 1.00 0.00 H new ATOM 275 N VAL A 18 56.396 56.437 12.338 1.00 0.00 N ATOM 276 CA VAL A 18 55.570 56.273 11.094 1.00 0.00 C ATOM 277 C VAL A 18 54.137 55.724 11.417 1.00 0.00 C ATOM 278 O VAL A 18 53.905 54.517 11.536 1.00 0.00 O ATOM 279 CB VAL A 18 56.274 55.505 9.919 1.00 0.00 C ATOM 280 CG1 VAL A 18 57.371 56.338 9.222 1.00 0.00 C ATOM 281 CG2 VAL A 18 56.822 54.095 10.233 1.00 0.00 C ATOM 0 H VAL A 18 57.173 55.781 12.415 1.00 0.00 H new ATOM 0 HA VAL A 18 55.453 57.282 10.699 1.00 0.00 H new ATOM 0 HB VAL A 18 55.436 55.347 9.240 1.00 0.00 H new ATOM 0 HG11 VAL A 18 57.819 55.751 8.420 1.00 0.00 H new ATOM 0 HG12 VAL A 18 56.931 57.244 8.806 1.00 0.00 H new ATOM 0 HG13 VAL A 18 58.139 56.607 9.947 1.00 0.00 H new ATOM 0 HG21 VAL A 18 57.282 53.676 9.338 1.00 0.00 H new ATOM 0 HG22 VAL A 18 57.566 54.162 11.027 1.00 0.00 H new ATOM 0 HG23 VAL A 18 56.004 53.451 10.556 1.00 0.00 H new ATOM 291 N PHE A 19 53.178 56.653 11.572 1.00 0.00 N ATOM 292 CA PHE A 19 51.778 56.328 11.929 1.00 0.00 C ATOM 293 C PHE A 19 50.951 56.187 10.619 1.00 0.00 C ATOM 294 O PHE A 19 50.458 57.170 10.056 1.00 0.00 O ATOM 295 CB PHE A 19 51.259 57.431 12.894 1.00 0.00 C ATOM 296 CG PHE A 19 49.944 57.077 13.607 1.00 0.00 C ATOM 297 CD1 PHE A 19 49.960 56.407 14.835 1.00 0.00 C ATOM 298 CD2 PHE A 19 48.716 57.407 13.023 1.00 0.00 C ATOM 299 CE1 PHE A 19 48.766 56.085 15.477 1.00 0.00 C ATOM 300 CE2 PHE A 19 47.525 57.066 13.657 1.00 0.00 C ATOM 301 CZ PHE A 19 47.549 56.417 14.888 1.00 0.00 C ATOM 0 H PHE A 19 53.347 57.652 11.454 1.00 0.00 H new ATOM 0 HA PHE A 19 51.687 55.377 12.454 1.00 0.00 H new ATOM 0 HB2 PHE A 19 52.024 57.631 13.645 1.00 0.00 H new ATOM 0 HB3 PHE A 19 51.117 58.353 12.331 1.00 0.00 H new ATOM 0 HD1 PHE A 19 50.903 56.138 15.288 1.00 0.00 H new ATOM 0 HD2 PHE A 19 48.692 57.928 12.077 1.00 0.00 H new ATOM 0 HE1 PHE A 19 48.785 55.578 16.431 1.00 0.00 H new ATOM 0 HE2 PHE A 19 46.580 57.306 13.193 1.00 0.00 H new ATOM 0 HZ PHE A 19 46.623 56.171 15.387 1.00 0.00 H new ATOM 311 N PHE A 20 50.820 54.944 10.142 1.00 0.00 N ATOM 312 CA PHE A 20 49.989 54.619 8.956 1.00 0.00 C ATOM 313 C PHE A 20 49.137 53.392 9.363 1.00 0.00 C ATOM 314 O PHE A 20 49.624 52.255 9.363 1.00 0.00 O ATOM 315 CB PHE A 20 50.843 54.338 7.685 1.00 0.00 C ATOM 316 CG PHE A 20 51.635 55.533 7.129 1.00 0.00 C ATOM 317 CD1 PHE A 20 51.051 56.423 6.222 1.00 0.00 C ATOM 318 CD2 PHE A 20 52.957 55.738 7.536 1.00 0.00 C ATOM 319 CE1 PHE A 20 51.780 57.506 5.733 1.00 0.00 C ATOM 320 CE2 PHE A 20 53.684 56.822 7.051 1.00 0.00 C ATOM 321 CZ PHE A 20 53.095 57.705 6.149 1.00 0.00 C ATOM 0 H PHE A 20 51.280 54.134 10.557 1.00 0.00 H new ATOM 0 HA PHE A 20 49.362 55.467 8.680 1.00 0.00 H new ATOM 0 HB2 PHE A 20 51.545 53.536 7.913 1.00 0.00 H new ATOM 0 HB3 PHE A 20 50.182 53.969 6.901 1.00 0.00 H new ATOM 0 HD1 PHE A 20 50.032 56.271 5.899 1.00 0.00 H new ATOM 0 HD2 PHE A 20 53.417 55.051 8.231 1.00 0.00 H new ATOM 0 HE1 PHE A 20 51.326 58.191 5.032 1.00 0.00 H new ATOM 0 HE2 PHE A 20 54.703 56.978 7.374 1.00 0.00 H new ATOM 0 HZ PHE A 20 53.658 58.545 5.771 1.00 0.00 H new ATOM 331 N ALA A 21 47.856 53.613 9.708 1.00 0.00 N ATOM 332 CA ALA A 21 46.906 52.500 9.972 1.00 0.00 C ATOM 333 C ALA A 21 46.334 51.863 8.655 1.00 0.00 C ATOM 334 O ALA A 21 45.145 51.963 8.340 1.00 0.00 O ATOM 335 CB ALA A 21 45.861 53.075 10.948 1.00 0.00 C ATOM 0 H ALA A 21 47.450 54.543 9.812 1.00 0.00 H new ATOM 0 HA ALA A 21 47.391 51.639 10.432 1.00 0.00 H new ATOM 0 HB1 ALA A 21 45.126 52.307 11.188 1.00 0.00 H new ATOM 0 HB2 ALA A 21 46.357 53.400 11.862 1.00 0.00 H new ATOM 0 HB3 ALA A 21 45.360 53.925 10.485 1.00 0.00 H new ATOM 341 N GLU A 22 47.229 51.197 7.902 1.00 0.00 N ATOM 342 CA GLU A 22 46.916 50.515 6.619 1.00 0.00 C ATOM 343 C GLU A 22 47.981 49.404 6.351 1.00 0.00 C ATOM 344 O GLU A 22 49.194 49.636 6.426 1.00 0.00 O ATOM 345 CB GLU A 22 46.742 51.480 5.404 1.00 0.00 C ATOM 346 CG GLU A 22 47.912 52.422 5.007 1.00 0.00 C ATOM 347 CD GLU A 22 47.622 53.274 3.776 1.00 0.00 C ATOM 348 OE1 GLU A 22 46.916 54.296 3.904 1.00 0.00 O ATOM 349 OE2 GLU A 22 48.110 52.927 2.679 1.00 0.00 O ATOM 0 H GLU A 22 48.210 51.113 8.168 1.00 0.00 H new ATOM 0 HA GLU A 22 45.934 50.055 6.728 1.00 0.00 H new ATOM 0 HB2 GLU A 22 46.503 50.870 4.533 1.00 0.00 H new ATOM 0 HB3 GLU A 22 45.872 52.105 5.604 1.00 0.00 H new ATOM 0 HG2 GLU A 22 48.139 53.078 5.847 1.00 0.00 H new ATOM 0 HG3 GLU A 22 48.803 51.822 4.821 1.00 0.00 H new ATOM 356 N ASP A 23 47.511 48.193 6.011 1.00 0.00 N ATOM 357 CA ASP A 23 48.394 47.051 5.650 1.00 0.00 C ATOM 358 C ASP A 23 48.637 47.068 4.107 1.00 0.00 C ATOM 359 O ASP A 23 47.747 46.749 3.310 1.00 0.00 O ATOM 360 CB ASP A 23 47.762 45.717 6.131 1.00 0.00 C ATOM 361 CG ASP A 23 47.783 45.485 7.643 1.00 0.00 C ATOM 362 OD1 ASP A 23 48.818 45.016 8.163 1.00 0.00 O ATOM 363 OD2 ASP A 23 46.764 45.766 8.310 1.00 0.00 O ATOM 0 H ASP A 23 46.516 47.970 5.976 1.00 0.00 H new ATOM 0 HA ASP A 23 49.359 47.143 6.147 1.00 0.00 H new ATOM 0 HB2 ASP A 23 46.727 45.682 5.790 1.00 0.00 H new ATOM 0 HB3 ASP A 23 48.285 44.892 5.647 1.00 0.00 H new ATOM 368 N VAL A 24 49.849 47.472 3.689 1.00 0.00 N ATOM 369 CA VAL A 24 50.221 47.586 2.248 1.00 0.00 C ATOM 370 C VAL A 24 51.679 47.059 2.025 1.00 0.00 C ATOM 371 O VAL A 24 52.595 47.282 2.826 1.00 0.00 O ATOM 372 CB VAL A 24 49.923 49.022 1.684 1.00 0.00 C ATOM 373 CG1 VAL A 24 50.806 50.166 2.233 1.00 0.00 C ATOM 374 CG2 VAL A 24 49.937 49.082 0.139 1.00 0.00 C ATOM 0 H VAL A 24 50.602 47.730 4.328 1.00 0.00 H new ATOM 0 HA VAL A 24 49.584 46.937 1.647 1.00 0.00 H new ATOM 0 HB VAL A 24 48.914 49.199 2.058 1.00 0.00 H new ATOM 0 HG11 VAL A 24 50.509 51.108 1.772 1.00 0.00 H new ATOM 0 HG12 VAL A 24 50.681 50.235 3.314 1.00 0.00 H new ATOM 0 HG13 VAL A 24 51.851 49.962 2.001 1.00 0.00 H new ATOM 0 HG21 VAL A 24 49.724 50.100 -0.188 1.00 0.00 H new ATOM 0 HG22 VAL A 24 50.918 48.781 -0.228 1.00 0.00 H new ATOM 0 HG23 VAL A 24 49.178 48.408 -0.258 1.00 0.00 H new ATOM 384 N GLY A 25 51.884 46.344 0.910 1.00 0.00 N ATOM 385 CA GLY A 25 53.204 45.770 0.567 1.00 0.00 C ATOM 386 C GLY A 25 53.232 45.180 -0.849 1.00 0.00 C ATOM 387 O GLY A 25 53.071 43.971 -1.014 1.00 0.00 O ATOM 0 H GLY A 25 51.154 46.146 0.225 1.00 0.00 H new ATOM 0 HA2 GLY A 25 53.967 46.544 0.651 1.00 0.00 H new ATOM 0 HA3 GLY A 25 53.458 44.992 1.287 1.00 0.00 H new ATOM 391 N SER A 26 53.421 46.037 -1.863 1.00 0.00 N ATOM 392 CA SER A 26 53.463 45.614 -3.296 1.00 0.00 C ATOM 393 C SER A 26 54.487 46.501 -4.079 1.00 0.00 C ATOM 394 O SER A 26 54.134 47.416 -4.828 1.00 0.00 O ATOM 395 CB SER A 26 52.039 45.638 -3.910 1.00 0.00 C ATOM 396 OG SER A 26 51.158 44.724 -3.257 1.00 0.00 O ATOM 0 H SER A 26 53.550 47.040 -1.729 1.00 0.00 H new ATOM 0 HA SER A 26 53.811 44.584 -3.370 1.00 0.00 H new ATOM 0 HB2 SER A 26 51.631 46.647 -3.840 1.00 0.00 H new ATOM 0 HB3 SER A 26 52.097 45.390 -4.970 1.00 0.00 H new ATOM 0 HG SER A 26 50.272 44.771 -3.672 1.00 0.00 H new ATOM 402 N ASN A 27 55.781 46.224 -3.858 1.00 0.00 N ATOM 403 CA ASN A 27 56.928 46.916 -4.526 1.00 0.00 C ATOM 404 C ASN A 27 58.248 46.080 -4.358 1.00 0.00 C ATOM 405 O ASN A 27 58.976 45.882 -5.331 1.00 0.00 O ATOM 406 CB ASN A 27 57.093 48.391 -4.038 1.00 0.00 C ATOM 407 CG ASN A 27 57.960 49.276 -4.943 1.00 0.00 C ATOM 408 OD1 ASN A 27 59.171 49.376 -4.783 1.00 0.00 O ATOM 409 ND2 ASN A 27 57.381 49.949 -5.909 1.00 0.00 N ATOM 0 H ASN A 27 56.080 45.503 -3.201 1.00 0.00 H new ATOM 0 HA ASN A 27 56.707 46.978 -5.592 1.00 0.00 H new ATOM 0 HB2 ASN A 27 56.105 48.843 -3.951 1.00 0.00 H new ATOM 0 HB3 ASN A 27 57.528 48.382 -3.039 1.00 0.00 H new ATOM 0 HD21 ASN A 27 57.938 50.548 -6.518 1.00 0.00 H new ATOM 0 HD22 ASN A 27 56.374 49.873 -6.051 1.00 0.00 H new ATOM 416 N LYS A 28 58.551 45.597 -3.132 1.00 0.00 N ATOM 417 CA LYS A 28 59.751 44.772 -2.837 1.00 0.00 C ATOM 418 C LYS A 28 59.747 43.331 -3.455 1.00 0.00 C ATOM 419 O LYS A 28 58.724 42.640 -3.475 1.00 0.00 O ATOM 420 CB LYS A 28 59.959 44.782 -1.291 1.00 0.00 C ATOM 421 CG LYS A 28 58.914 44.057 -0.390 1.00 0.00 C ATOM 422 CD LYS A 28 58.715 44.755 0.978 1.00 0.00 C ATOM 423 CE LYS A 28 57.814 44.013 1.989 1.00 0.00 C ATOM 424 NZ LYS A 28 56.368 44.143 1.656 1.00 0.00 N ATOM 0 H LYS A 28 57.968 45.768 -2.313 1.00 0.00 H new ATOM 0 HA LYS A 28 60.606 45.223 -3.340 1.00 0.00 H new ATOM 0 HB2 LYS A 28 60.935 44.341 -1.086 1.00 0.00 H new ATOM 0 HB3 LYS A 28 60.006 45.823 -0.971 1.00 0.00 H new ATOM 0 HG2 LYS A 28 57.959 44.013 -0.913 1.00 0.00 H new ATOM 0 HG3 LYS A 28 59.235 43.028 -0.225 1.00 0.00 H new ATOM 0 HD2 LYS A 28 59.694 44.904 1.434 1.00 0.00 H new ATOM 0 HD3 LYS A 28 58.292 45.744 0.801 1.00 0.00 H new ATOM 0 HE2 LYS A 28 58.087 42.958 2.010 1.00 0.00 H new ATOM 0 HE3 LYS A 28 57.992 44.408 2.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 55.802 43.629 2.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 56.099 45.148 1.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 56.192 43.743 0.712 1.00 0.00 H new ATOM 438 N GLY A 29 60.919 42.892 -3.939 1.00 0.00 N ATOM 439 CA GLY A 29 61.082 41.560 -4.577 1.00 0.00 C ATOM 440 C GLY A 29 62.380 41.475 -5.400 1.00 0.00 C ATOM 441 O GLY A 29 63.430 41.112 -4.866 1.00 0.00 O ATOM 0 H GLY A 29 61.779 43.439 -3.904 1.00 0.00 H new ATOM 0 HA2 GLY A 29 61.088 40.787 -3.808 1.00 0.00 H new ATOM 0 HA3 GLY A 29 60.228 41.360 -5.224 1.00 0.00 H new ATOM 445 N ALA A 30 62.302 41.827 -6.692 1.00 0.00 N ATOM 446 CA ALA A 30 63.484 41.866 -7.590 1.00 0.00 C ATOM 447 C ALA A 30 64.273 43.213 -7.513 1.00 0.00 C ATOM 448 O ALA A 30 63.689 44.299 -7.587 1.00 0.00 O ATOM 449 CB ALA A 30 62.960 41.617 -9.017 1.00 0.00 C ATOM 0 H ALA A 30 61.429 42.092 -7.148 1.00 0.00 H new ATOM 0 HA ALA A 30 64.199 41.103 -7.282 1.00 0.00 H new ATOM 0 HB1 ALA A 30 63.794 41.636 -9.719 1.00 0.00 H new ATOM 0 HB2 ALA A 30 62.471 40.644 -9.060 1.00 0.00 H new ATOM 0 HB3 ALA A 30 62.244 42.395 -9.283 1.00 0.00 H new ATOM 455 N ILE A 31 65.609 43.129 -7.400 1.00 0.00 N ATOM 456 CA ILE A 31 66.511 44.320 -7.412 1.00 0.00 C ATOM 457 C ILE A 31 67.611 44.090 -8.505 1.00 0.00 C ATOM 458 O ILE A 31 68.486 43.233 -8.347 1.00 0.00 O ATOM 459 CB ILE A 31 66.993 44.669 -5.952 1.00 0.00 C ATOM 460 CG1 ILE A 31 67.649 46.080 -5.861 1.00 0.00 C ATOM 461 CG2 ILE A 31 67.895 43.603 -5.273 1.00 0.00 C ATOM 462 CD1 ILE A 31 67.517 46.772 -4.490 1.00 0.00 C ATOM 0 H ILE A 31 66.104 42.243 -7.298 1.00 0.00 H new ATOM 0 HA ILE A 31 66.000 45.235 -7.712 1.00 0.00 H new ATOM 0 HB ILE A 31 66.066 44.673 -5.379 1.00 0.00 H new ATOM 0 HG12 ILE A 31 68.707 45.989 -6.105 1.00 0.00 H new ATOM 0 HG13 ILE A 31 67.202 46.722 -6.620 1.00 0.00 H new ATOM 0 HG21 ILE A 31 68.170 43.942 -4.274 1.00 0.00 H new ATOM 0 HG22 ILE A 31 67.353 42.660 -5.200 1.00 0.00 H new ATOM 0 HG23 ILE A 31 68.797 43.458 -5.868 1.00 0.00 H new ATOM 0 HD11 ILE A 31 68.004 47.747 -4.526 1.00 0.00 H new ATOM 0 HD12 ILE A 31 66.462 46.902 -4.248 1.00 0.00 H new ATOM 0 HD13 ILE A 31 67.991 46.157 -3.725 1.00 0.00 H new ATOM 474 N ILE A 32 67.548 44.824 -9.639 1.00 0.00 N ATOM 475 CA ILE A 32 68.556 44.696 -10.743 1.00 0.00 C ATOM 476 C ILE A 32 69.864 45.502 -10.432 1.00 0.00 C ATOM 477 O ILE A 32 69.817 46.652 -9.981 1.00 0.00 O ATOM 478 CB ILE A 32 67.997 45.034 -12.177 1.00 0.00 C ATOM 479 CG1 ILE A 32 67.411 46.468 -12.360 1.00 0.00 C ATOM 480 CG2 ILE A 32 67.004 43.960 -12.688 1.00 0.00 C ATOM 481 CD1 ILE A 32 67.572 47.063 -13.773 1.00 0.00 C ATOM 0 H ILE A 32 66.817 45.511 -9.824 1.00 0.00 H new ATOM 0 HA ILE A 32 68.806 43.636 -10.774 1.00 0.00 H new ATOM 0 HB ILE A 32 68.890 45.018 -12.802 1.00 0.00 H new ATOM 0 HG12 ILE A 32 66.350 46.445 -12.111 1.00 0.00 H new ATOM 0 HG13 ILE A 32 67.892 47.135 -11.645 1.00 0.00 H new ATOM 0 HG21 ILE A 32 66.646 44.237 -13.680 1.00 0.00 H new ATOM 0 HG22 ILE A 32 67.507 42.995 -12.741 1.00 0.00 H new ATOM 0 HG23 ILE A 32 66.158 43.891 -12.004 1.00 0.00 H new ATOM 0 HD11 ILE A 32 67.134 48.061 -13.800 1.00 0.00 H new ATOM 0 HD12 ILE A 32 68.631 47.125 -14.023 1.00 0.00 H new ATOM 0 HD13 ILE A 32 67.065 46.425 -14.497 1.00 0.00 H new ATOM 493 N GLY A 33 71.029 44.895 -10.712 1.00 0.00 N ATOM 494 CA GLY A 33 72.348 45.558 -10.539 1.00 0.00 C ATOM 495 C GLY A 33 73.239 45.408 -11.783 1.00 0.00 C ATOM 496 O GLY A 33 74.083 44.511 -11.838 1.00 0.00 O ATOM 0 H GLY A 33 71.092 43.939 -11.062 1.00 0.00 H new ATOM 0 HA2 GLY A 33 72.196 46.617 -10.328 1.00 0.00 H new ATOM 0 HA3 GLY A 33 72.857 45.131 -9.675 1.00 0.00 H new ATOM 500 N LEU A 34 73.052 46.295 -12.772 1.00 0.00 N ATOM 501 CA LEU A 34 73.867 46.302 -14.018 1.00 0.00 C ATOM 502 C LEU A 34 75.126 47.208 -13.819 1.00 0.00 C ATOM 503 O LEU A 34 75.009 48.429 -13.666 1.00 0.00 O ATOM 504 CB LEU A 34 72.943 46.767 -15.182 1.00 0.00 C ATOM 505 CG LEU A 34 73.497 46.621 -16.628 1.00 0.00 C ATOM 506 CD1 LEU A 34 73.473 45.166 -17.136 1.00 0.00 C ATOM 507 CD2 LEU A 34 72.684 47.493 -17.602 1.00 0.00 C ATOM 0 H LEU A 34 72.341 47.026 -12.741 1.00 0.00 H new ATOM 0 HA LEU A 34 74.248 45.311 -14.264 1.00 0.00 H new ATOM 0 HB2 LEU A 34 72.011 46.206 -15.119 1.00 0.00 H new ATOM 0 HB3 LEU A 34 72.695 47.816 -15.019 1.00 0.00 H new ATOM 0 HG LEU A 34 74.536 46.949 -16.590 1.00 0.00 H new ATOM 0 HD11 LEU A 34 73.871 45.128 -18.150 1.00 0.00 H new ATOM 0 HD12 LEU A 34 74.083 44.542 -16.483 1.00 0.00 H new ATOM 0 HD13 LEU A 34 72.447 44.797 -17.135 1.00 0.00 H new ATOM 0 HD21 LEU A 34 73.083 47.381 -18.610 1.00 0.00 H new ATOM 0 HD22 LEU A 34 71.640 47.179 -17.588 1.00 0.00 H new ATOM 0 HD23 LEU A 34 72.752 48.538 -17.299 1.00 0.00 H new ATOM 519 N MET A 35 76.325 46.602 -13.816 1.00 0.00 N ATOM 520 CA MET A 35 77.612 47.341 -13.695 1.00 0.00 C ATOM 521 C MET A 35 78.617 46.804 -14.759 1.00 0.00 C ATOM 522 O MET A 35 79.018 45.636 -14.732 1.00 0.00 O ATOM 523 CB MET A 35 78.159 47.351 -12.237 1.00 0.00 C ATOM 524 CG MET A 35 78.506 46.010 -11.554 1.00 0.00 C ATOM 525 SD MET A 35 79.134 46.347 -9.896 1.00 0.00 S ATOM 526 CE MET A 35 79.486 44.673 -9.336 1.00 0.00 C ATOM 0 H MET A 35 76.439 45.592 -13.896 1.00 0.00 H new ATOM 0 HA MET A 35 77.446 48.396 -13.913 1.00 0.00 H new ATOM 0 HB2 MET A 35 79.059 47.966 -12.228 1.00 0.00 H new ATOM 0 HB3 MET A 35 77.421 47.856 -11.613 1.00 0.00 H new ATOM 0 HG2 MET A 35 77.622 45.374 -11.501 1.00 0.00 H new ATOM 0 HG3 MET A 35 79.252 45.471 -12.138 1.00 0.00 H new ATOM 0 HE1 MET A 35 79.884 44.705 -8.322 1.00 0.00 H new ATOM 0 HE2 MET A 35 78.568 44.085 -9.348 1.00 0.00 H new ATOM 0 HE3 MET A 35 80.219 44.214 -9.999 1.00 0.00 H new ATOM 536 N VAL A 36 79.018 47.667 -15.708 1.00 0.00 N ATOM 537 CA VAL A 36 80.041 47.324 -16.741 1.00 0.00 C ATOM 538 C VAL A 36 81.372 47.982 -16.257 1.00 0.00 C ATOM 539 O VAL A 36 81.560 49.196 -16.389 1.00 0.00 O ATOM 540 CB VAL A 36 79.582 47.766 -18.175 1.00 0.00 C ATOM 541 CG1 VAL A 36 80.629 47.463 -19.275 1.00 0.00 C ATOM 542 CG2 VAL A 36 78.253 47.116 -18.635 1.00 0.00 C ATOM 0 H VAL A 36 78.653 48.616 -15.791 1.00 0.00 H new ATOM 0 HA VAL A 36 80.185 46.248 -16.842 1.00 0.00 H new ATOM 0 HB VAL A 36 79.449 48.842 -18.063 1.00 0.00 H new ATOM 0 HG11 VAL A 36 80.248 47.794 -20.241 1.00 0.00 H new ATOM 0 HG12 VAL A 36 81.556 47.991 -19.050 1.00 0.00 H new ATOM 0 HG13 VAL A 36 80.821 46.391 -19.309 1.00 0.00 H new ATOM 0 HG21 VAL A 36 78.002 47.470 -19.635 1.00 0.00 H new ATOM 0 HG22 VAL A 36 78.365 46.032 -18.652 1.00 0.00 H new ATOM 0 HG23 VAL A 36 77.456 47.388 -17.943 1.00 0.00 H new ATOM 552 N GLY A 37 82.274 47.178 -15.667 1.00 0.00 N ATOM 553 CA GLY A 37 83.565 47.688 -15.133 1.00 0.00 C ATOM 554 C GLY A 37 84.702 47.670 -16.170 1.00 0.00 C ATOM 555 O GLY A 37 84.948 48.667 -16.851 1.00 0.00 O ATOM 0 H GLY A 37 82.140 46.174 -15.544 1.00 0.00 H new ATOM 0 HA2 GLY A 37 83.425 48.708 -14.775 1.00 0.00 H new ATOM 0 HA3 GLY A 37 83.858 47.086 -14.273 1.00 0.00 H new ATOM 559 N GLY A 38 85.387 46.528 -16.279 1.00 0.00 N ATOM 560 CA GLY A 38 86.482 46.355 -17.264 1.00 0.00 C ATOM 561 C GLY A 38 87.192 45.005 -17.095 1.00 0.00 C ATOM 562 O GLY A 38 88.213 44.919 -16.411 1.00 0.00 O ATOM 0 H GLY A 38 85.210 45.705 -15.703 1.00 0.00 H new ATOM 0 HA2 GLY A 38 86.078 46.429 -18.274 1.00 0.00 H new ATOM 0 HA3 GLY A 38 87.205 47.163 -17.150 1.00 0.00 H new ATOM 566 N VAL A 39 86.629 43.957 -17.708 1.00 0.00 N ATOM 567 CA VAL A 39 87.213 42.583 -17.693 1.00 0.00 C ATOM 568 C VAL A 39 87.063 42.084 -19.166 1.00 0.00 C ATOM 569 O VAL A 39 85.956 41.735 -19.593 1.00 0.00 O ATOM 570 CB VAL A 39 86.529 41.659 -16.618 1.00 0.00 C ATOM 571 CG1 VAL A 39 87.068 40.208 -16.621 1.00 0.00 C ATOM 572 CG2 VAL A 39 86.661 42.170 -15.161 1.00 0.00 C ATOM 0 H VAL A 39 85.756 44.023 -18.232 1.00 0.00 H new ATOM 0 HA VAL A 39 88.259 42.567 -17.387 1.00 0.00 H new ATOM 0 HB VAL A 39 85.484 41.684 -16.925 1.00 0.00 H new ATOM 0 HG11 VAL A 39 86.553 39.627 -15.856 1.00 0.00 H new ATOM 0 HG12 VAL A 39 86.894 39.757 -17.598 1.00 0.00 H new ATOM 0 HG13 VAL A 39 88.138 40.217 -16.411 1.00 0.00 H new ATOM 0 HG21 VAL A 39 86.163 41.475 -14.485 1.00 0.00 H new ATOM 0 HG22 VAL A 39 87.716 42.242 -14.895 1.00 0.00 H new ATOM 0 HG23 VAL A 39 86.198 43.153 -15.077 1.00 0.00 H new ATOM 582 N VAL A 40 88.161 42.112 -19.945 1.00 0.00 N ATOM 583 CA VAL A 40 88.165 41.673 -21.372 1.00 0.00 C ATOM 584 C VAL A 40 88.593 40.179 -21.460 1.00 0.00 C ATOM 585 O VAL A 40 87.712 39.326 -21.715 1.00 0.00 O ATOM 586 CB VAL A 40 88.954 42.708 -22.255 1.00 0.00 C ATOM 587 CG1 VAL A 40 90.485 42.777 -22.033 1.00 0.00 C ATOM 588 CG2 VAL A 40 88.690 42.530 -23.767 1.00 0.00 C ATOM 589 OXT VAL A 40 89.786 39.847 -21.262 1.00 0.00 O ATOM 0 H VAL A 40 89.070 42.436 -19.615 1.00 0.00 H new ATOM 0 HA VAL A 40 87.166 41.683 -21.808 1.00 0.00 H new ATOM 0 HB VAL A 40 88.544 43.653 -21.900 1.00 0.00 H new ATOM 0 HG11 VAL A 40 90.916 43.525 -22.698 1.00 0.00 H new ATOM 0 HG12 VAL A 40 90.691 43.050 -20.998 1.00 0.00 H new ATOM 0 HG13 VAL A 40 90.928 41.804 -22.246 1.00 0.00 H new ATOM 0 HG21 VAL A 40 89.261 43.272 -24.326 1.00 0.00 H new ATOM 0 HG22 VAL A 40 88.995 41.530 -24.074 1.00 0.00 H new ATOM 0 HG23 VAL A 40 87.627 42.663 -23.969 1.00 0.00 H new TER 599 VAL A 40 HETATM 600 CG1 23Y A 101 45.661 58.734 19.190 1.00 0.00 C HETATM 601 CG9 23Y A 101 46.443 58.514 20.341 1.00 0.00 C HETATM 602 CG8 23Y A 101 45.939 58.847 21.596 1.00 0.00 C HETATM 603 OG2 23Y A 101 46.020 58.461 17.895 1.00 0.00 O HETATM 604 CG3 23Y A 101 44.829 58.659 17.079 1.00 0.00 C HETATM 605 CG5 23Y A 101 44.369 59.328 19.314 1.00 0.00 C HETATM 606 CG6 23Y A 101 43.870 59.722 20.608 1.00 0.00 C HETATM 607 CG7 23Y A 101 44.685 59.452 21.719 1.00 0.00 C HETATM 608 CG4 23Y A 101 43.804 59.507 17.904 1.00 0.00 C HETATM 609 CB1 23Y A 101 46.180 60.158 15.489 1.00 0.00 C HETATM 610 CB2 23Y A 101 46.450 60.666 14.220 1.00 0.00 C HETATM 611 CB3 23Y A 101 45.679 60.264 13.133 1.00 0.00 C HETATM 612 OB3 23Y A 101 45.955 60.739 11.879 1.00 0.00 O HETATM 613 CB4 23Y A 101 44.637 59.359 13.310 1.00 0.00 C HETATM 614 CB5 23Y A 101 44.369 58.846 14.577 1.00 0.00 C HETATM 615 CB6 23Y A 101 45.140 59.239 15.679 1.00 0.00 C HETATM 616 CC1 23Y A 101 41.545 59.978 16.828 1.00 0.00 C HETATM 617 CC2 23Y A 101 40.214 59.673 16.558 1.00 0.00 C HETATM 618 OC2 23Y A 101 39.463 60.506 15.774 1.00 0.00 O HETATM 619 CC3 23Y A 101 39.644 58.516 17.079 1.00 0.00 C HETATM 620 CC4 23Y A 101 40.404 57.659 17.870 1.00 0.00 C HETATM 621 OC4 23Y A 101 39.844 56.523 18.388 1.00 0.00 O HETATM 622 CC5 23Y A 101 41.736 57.958 18.138 1.00 0.00 C HETATM 623 CC6 23Y A 101 42.321 59.126 17.626 1.00 0.00 C HETATM 624 CD1 23Y A 101 42.515 60.437 20.745 1.00 0.00 C HETATM 625 CD2 23Y A 101 41.890 60.850 21.866 1.00 0.00 C HETATM 626 CE1 23Y A 101 38.476 62.466 21.080 1.00 0.00 C HETATM 627 CE2 23Y A 101 38.058 62.819 22.362 1.00 0.00 C HETATM 628 OE2 23Y A 101 36.849 63.432 22.551 1.00 0.00 O HETATM 629 CE3 23Y A 101 38.865 62.540 23.459 1.00 0.00 C HETATM 630 CE4 23Y A 101 40.093 61.911 23.281 1.00 0.00 C HETATM 631 CE5 23Y A 101 40.531 61.549 21.998 1.00 0.00 C HETATM 632 CE6 23Y A 101 39.702 61.832 20.899 1.00 0.00 C HETATM 633 CF5 23Y A 101 45.094 56.110 24.875 1.00 0.00 C HETATM 634 OF 23Y A 101 45.316 57.271 24.024 1.00 0.00 O HETATM 635 CF1 23Y A 101 46.663 57.448 23.480 1.00 0.00 C HETATM 636 OF1 23Y A 101 46.735 58.691 22.723 1.00 0.00 O HETATM 637 CF2 23Y A 101 47.698 57.513 24.639 1.00 0.00 C HETATM 638 OF2 23Y A 101 49.019 57.477 24.100 1.00 0.00 O HETATM 639 CF3 23Y A 101 47.523 56.338 25.637 1.00 0.00 C HETATM 640 OF3 23Y A 101 48.318 56.563 26.799 1.00 0.00 O HETATM 641 CF4 23Y A 101 46.056 56.165 26.093 1.00 0.00 C HETATM 642 OF4 23Y A 101 45.957 54.970 26.863 1.00 0.00 O HETATM 643 CF6 23Y A 101 43.603 56.067 25.264 1.00 0.00 C HETATM 644 OF6 23Y A 101 43.184 57.260 25.926 1.00 0.00 O HETATM 0 HOF4 23Y A 101 46.571 55.020 27.625 1.00 0.00 H new HETATM 0 HOF3 23Y A 101 48.460 55.714 27.267 1.00 0.00 H new HETATM 0 HOF2 23Y A 101 49.671 57.519 24.830 1.00 0.00 H new HETATM 0 HOE2 23Y A 101 36.716 63.606 23.506 1.00 0.00 H new HETATM 0 HOC4 23Y A 101 40.514 56.039 18.914 1.00 0.00 H new HETATM 0 HOC2 23Y A 101 38.557 60.143 15.686 1.00 0.00 H new HETATM 0 HOB3 23Y A 101 45.321 60.356 11.237 1.00 0.00 H new HETATM 0 HF62 23Y A 101 43.000 55.920 24.368 1.00 0.00 H new HETATM 0 HF61 23Y A 101 43.423 55.211 25.914 1.00 0.00 H new HETATM 0 HCG9 23Y A 101 47.440 58.084 20.250 1.00 0.00 H new HETATM 0 HCG7 23Y A 101 44.327 59.724 22.712 1.00 0.00 H new HETATM 0 HCG4 23Y A 101 43.721 60.564 17.651 1.00 0.00 H new HETATM 0 HCG3 23Y A 101 44.379 57.692 16.854 1.00 0.00 H new HETATM 0 HCF6 23Y A 101 43.752 58.007 25.645 1.00 0.00 H new HETATM 0 HCF5 23Y A 101 45.320 55.180 24.352 1.00 0.00 H new HETATM 0 HCF4 23Y A 101 45.763 57.022 26.699 1.00 0.00 H new HETATM 0 HCF3 23Y A 101 47.836 55.435 25.112 1.00 0.00 H new HETATM 0 HCF2 23Y A 101 47.532 58.444 25.181 1.00 0.00 H new HETATM 0 HCF1 23Y A 101 46.887 56.604 22.828 1.00 0.00 H new HETATM 0 HCE6 23Y A 101 40.022 61.552 19.895 1.00 0.00 H new HETATM 0 HCE4 23Y A 101 40.721 61.697 24.146 1.00 0.00 H new HETATM 0 HCE3 23Y A 101 38.535 62.815 24.461 1.00 0.00 H new HETATM 0 HCE1 23Y A 101 37.843 62.686 20.220 1.00 0.00 H new HETATM 0 HCD2 23Y A 101 42.419 60.663 22.800 1.00 0.00 H new HETATM 0 HCD1 23Y A 101 41.990 60.636 19.811 1.00 0.00 H new HETATM 0 HCC5 23Y A 101 42.330 57.280 18.751 1.00 0.00 H new HETATM 0 HCC3 23Y A 101 38.601 58.280 16.868 1.00 0.00 H new HETATM 0 HCC1 23Y A 101 41.987 60.885 16.416 1.00 0.00 H new HETATM 0 HCB5 23Y A 101 43.554 58.134 14.712 1.00 0.00 H new HETATM 0 HCB4 23Y A 101 44.031 59.052 12.458 1.00 0.00 H new HETATM 0 HCB2 23Y A 101 47.264 61.377 14.079 1.00 0.00 H new HETATM 0 HCB1 23Y A 101 46.782 60.478 16.340 1.00 0.00 H new HETATM 677 CG1 23Y A 102 72.370 46.692 1.694 1.00 0.00 C HETATM 678 CG9 23Y A 102 72.435 48.088 1.878 1.00 0.00 C HETATM 679 CG8 23Y A 102 71.330 48.887 1.566 1.00 0.00 C HETATM 680 OG2 23Y A 102 73.365 45.786 1.952 1.00 0.00 O HETATM 681 CG3 23Y A 102 72.775 44.459 1.821 1.00 0.00 C HETATM 682 CG5 23Y A 102 71.180 46.101 1.176 1.00 0.00 C HETATM 683 CG6 23Y A 102 70.057 46.928 0.812 1.00 0.00 C HETATM 684 CG7 23Y A 102 70.175 48.307 1.041 1.00 0.00 C HETATM 685 CG4 23Y A 102 71.426 44.597 1.036 1.00 0.00 C HETATM 686 CB1 23Y A 102 74.678 43.777 0.234 1.00 0.00 C HETATM 687 CB2 23Y A 102 75.552 42.828 -0.294 1.00 0.00 C HETATM 688 CB3 23Y A 102 75.504 41.512 0.156 1.00 0.00 C HETATM 689 OB3 23Y A 102 76.366 40.586 -0.367 1.00 0.00 O HETATM 690 CB4 23Y A 102 74.584 41.140 1.133 1.00 0.00 C HETATM 691 CB5 23Y A 102 73.712 42.088 1.665 1.00 0.00 C HETATM 692 CB6 23Y A 102 73.752 43.418 1.222 1.00 0.00 C HETATM 693 CC1 23Y A 102 70.034 42.488 0.711 1.00 0.00 C HETATM 694 CC2 23Y A 102 69.055 41.577 1.098 1.00 0.00 C HETATM 695 OC2 23Y A 102 68.784 40.495 0.305 1.00 0.00 O HETATM 696 CC3 23Y A 102 68.358 41.766 2.288 1.00 0.00 C HETATM 697 CC4 23Y A 102 68.643 42.864 3.095 1.00 0.00 C HETATM 698 OC4 23Y A 102 67.958 43.054 4.264 1.00 0.00 O HETATM 699 CC5 23Y A 102 69.625 43.773 2.714 1.00 0.00 C HETATM 700 CC6 23Y A 102 70.328 43.600 1.512 1.00 0.00 C HETATM 701 CD1 23Y A 102 68.797 46.317 0.179 1.00 0.00 C HETATM 702 CD2 23Y A 102 67.657 46.936 -0.193 1.00 0.00 C HETATM 703 CE1 23Y A 102 65.125 44.426 -1.646 1.00 0.00 C HETATM 704 CE2 23Y A 102 64.083 45.280 -1.991 1.00 0.00 C HETATM 705 OE2 23Y A 102 62.974 44.747 -2.577 1.00 0.00 O HETATM 706 CE3 23Y A 102 64.183 46.645 -1.745 1.00 0.00 C HETATM 707 CE4 23Y A 102 65.337 47.162 -1.160 1.00 0.00 C HETATM 708 CE5 23Y A 102 66.403 46.315 -0.815 1.00 0.00 C HETATM 709 CE6 23Y A 102 66.276 44.939 -1.062 1.00 0.00 C HETATM 710 CF5 23Y A 102 73.491 51.562 4.443 1.00 0.00 C HETATM 711 OF 23Y A 102 72.554 50.733 3.691 1.00 0.00 O HETATM 712 CF1 23Y A 102 72.288 51.120 2.309 1.00 0.00 C HETATM 713 OF1 23Y A 102 71.256 50.270 1.742 1.00 0.00 O HETATM 714 CF2 23Y A 102 71.771 52.583 2.258 1.00 0.00 C HETATM 715 OF2 23Y A 102 71.663 53.021 0.904 1.00 0.00 O HETATM 716 CF3 23Y A 102 72.688 53.550 3.049 1.00 0.00 C HETATM 717 OF3 23Y A 102 72.062 54.827 3.128 1.00 0.00 O HETATM 718 CF4 23Y A 102 72.993 53.036 4.478 1.00 0.00 C HETATM 719 OF4 23Y A 102 73.988 53.873 5.066 1.00 0.00 O HETATM 720 CF6 23Y A 102 73.672 50.938 5.842 1.00 0.00 C HETATM 721 OF6 23Y A 102 72.434 50.878 6.552 1.00 0.00 O HETATM 0 HOF4 23Y A 102 73.668 54.799 5.083 1.00 0.00 H new HETATM 0 HOF3 23Y A 102 72.703 55.485 3.470 1.00 0.00 H new HETATM 0 HOF2 23Y A 102 71.335 53.944 0.884 1.00 0.00 H new HETATM 0 HOE2 23Y A 102 62.845 45.150 -3.461 1.00 0.00 H new HETATM 0 HOC4 23Y A 102 68.283 43.867 4.705 1.00 0.00 H new HETATM 0 HOC2 23Y A 102 68.077 39.956 0.717 1.00 0.00 H new HETATM 0 HOB3 23Y A 102 76.206 39.716 0.054 1.00 0.00 H new HETATM 0 HF62 23Y A 102 74.085 49.934 5.743 1.00 0.00 H new HETATM 0 HF61 23Y A 102 74.392 51.524 6.413 1.00 0.00 H new HETATM 0 HCG9 23Y A 102 73.346 48.545 2.263 1.00 0.00 H new HETATM 0 HCG7 23Y A 102 69.330 48.951 0.799 1.00 0.00 H new HETATM 0 HCG4 23Y A 102 71.431 44.300 -0.013 1.00 0.00 H new HETATM 0 HCG3 23Y A 102 72.558 44.055 2.810 1.00 0.00 H new HETATM 0 HCF6 23Y A 102 71.700 50.739 5.918 1.00 0.00 H new HETATM 0 HCF5 23Y A 102 74.469 51.591 3.963 1.00 0.00 H new HETATM 0 HCF4 23Y A 102 72.079 53.068 5.072 1.00 0.00 H new HETATM 0 HCF3 23Y A 102 73.637 53.617 2.517 1.00 0.00 H new HETATM 0 HCF2 23Y A 102 70.787 52.596 2.728 1.00 0.00 H new HETATM 0 HCF1 23Y A 102 73.216 51.021 1.745 1.00 0.00 H new HETATM 0 HCE6 23Y A 102 67.090 44.266 -0.792 1.00 0.00 H new HETATM 0 HCE4 23Y A 102 65.413 48.232 -0.969 1.00 0.00 H new HETATM 0 HCE3 23Y A 102 63.360 47.309 -2.009 1.00 0.00 H new HETATM 0 HCE1 23Y A 102 65.039 43.356 -1.834 1.00 0.00 H new HETATM 0 HCD2 23Y A 102 67.625 48.013 -0.030 1.00 0.00 H new HETATM 0 HCD1 23Y A 102 68.828 45.241 0.008 1.00 0.00 H new HETATM 0 HCC5 23Y A 102 69.850 44.626 3.354 1.00 0.00 H new HETATM 0 HCC3 23Y A 102 67.589 41.054 2.588 1.00 0.00 H new HETATM 0 HCC1 23Y A 102 70.576 42.335 -0.222 1.00 0.00 H new HETATM 0 HCB5 23Y A 102 72.994 41.794 2.431 1.00 0.00 H new HETATM 0 HCB4 23Y A 102 74.546 40.108 1.481 1.00 0.00 H new HETATM 0 HCB2 23Y A 102 76.273 43.117 -1.059 1.00 0.00 H new HETATM 0 HCB1 23Y A 102 74.715 44.806 -0.124 1.00 0.00 H new