USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 475 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= -0.252 X(o=-0.25,f=0) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.0627 X(o=-0.063,f=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.675 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 100:sc= 1.23 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 95:sc= 1.21 USER MOD Single : A 54 THR OG1 : rot 91:sc= 0.506 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.330 0.000 0.000 1.00 0.00 N ATOM 2 CA GLY A 1 2.071 0.001 -1.247 1.00 0.00 C ATOM 3 C GLY A 1 3.515 0.425 -1.063 1.00 0.00 C ATOM 4 O GLY A 1 4.368 -0.390 -0.712 1.00 0.00 O ATOM 0 H1 GLY A 1 0.349 -0.297 -0.179 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.775 -0.661 0.668 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.333 0.957 0.407 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.041 -0.997 -1.684 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.585 0.673 -1.954 1.00 0.00 H new ATOM 8 N SER A 2 3.791 1.703 -1.302 1.00 0.00 N ATOM 9 CA SER A 2 5.142 2.232 -1.165 1.00 0.00 C ATOM 10 C SER A 2 5.396 2.712 0.260 1.00 0.00 C ATOM 11 O SER A 2 5.209 3.887 0.573 1.00 0.00 O ATOM 12 CB SER A 2 5.365 3.382 -2.150 1.00 0.00 C ATOM 13 OG SER A 2 4.658 3.162 -3.359 1.00 0.00 O ATOM 0 H SER A 2 3.096 2.391 -1.592 1.00 0.00 H new ATOM 0 HA SER A 2 5.844 1.429 -1.390 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.039 4.319 -1.700 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.430 3.483 -2.361 1.00 0.00 H new ATOM 0 HG SER A 2 4.815 3.911 -3.971 1.00 0.00 H new ATOM 19 N MET A 3 5.825 1.794 1.120 1.00 0.00 N ATOM 20 CA MET A 3 6.106 2.123 2.512 1.00 0.00 C ATOM 21 C MET A 3 7.479 2.773 2.651 1.00 0.00 C ATOM 22 O MET A 3 7.653 3.718 3.420 1.00 0.00 O ATOM 23 CB MET A 3 6.035 0.865 3.380 1.00 0.00 C ATOM 24 CG MET A 3 7.021 -0.215 2.967 1.00 0.00 C ATOM 25 SD MET A 3 6.842 -1.726 3.934 1.00 0.00 S ATOM 26 CE MET A 3 8.093 -1.474 5.191 1.00 0.00 C ATOM 0 H MET A 3 5.986 0.816 0.877 1.00 0.00 H new ATOM 0 HA MET A 3 5.351 2.833 2.851 1.00 0.00 H new ATOM 0 HB2 MET A 3 6.223 1.139 4.418 1.00 0.00 H new ATOM 0 HB3 MET A 3 5.024 0.459 3.335 1.00 0.00 H new ATOM 0 HG2 MET A 3 6.880 -0.445 1.911 1.00 0.00 H new ATOM 0 HG3 MET A 3 8.037 0.164 3.078 1.00 0.00 H new ATOM 0 HE1 MET A 3 8.105 -2.328 5.869 1.00 0.00 H new ATOM 0 HE2 MET A 3 9.070 -1.373 4.717 1.00 0.00 H new ATOM 0 HE3 MET A 3 7.867 -0.568 5.753 1.00 0.00 H new ATOM 36 N GLU A 4 8.450 2.260 1.901 1.00 0.00 N ATOM 37 CA GLU A 4 9.807 2.792 1.943 1.00 0.00 C ATOM 38 C GLU A 4 9.852 4.213 1.388 1.00 0.00 C ATOM 39 O GLU A 4 10.468 5.101 1.977 1.00 0.00 O ATOM 40 CB GLU A 4 10.755 1.892 1.148 1.00 0.00 C ATOM 41 CG GLU A 4 12.225 2.193 1.389 1.00 0.00 C ATOM 42 CD GLU A 4 13.137 1.452 0.431 1.00 0.00 C ATOM 43 OE1 GLU A 4 12.813 1.395 -0.774 1.00 0.00 O ATOM 44 OE2 GLU A 4 14.176 0.928 0.886 1.00 0.00 O ATOM 0 H GLU A 4 8.322 1.478 1.258 1.00 0.00 H new ATOM 0 HA GLU A 4 10.128 2.817 2.984 1.00 0.00 H new ATOM 0 HB2 GLU A 4 10.558 0.852 1.408 1.00 0.00 H new ATOM 0 HB3 GLU A 4 10.540 2.001 0.085 1.00 0.00 H new ATOM 0 HG2 GLU A 4 12.394 3.265 1.289 1.00 0.00 H new ATOM 0 HG3 GLU A 4 12.484 1.924 2.413 1.00 0.00 H new ATOM 51 N ARG A 5 9.196 4.419 0.251 1.00 0.00 N ATOM 52 CA ARG A 5 9.162 5.730 -0.385 1.00 0.00 C ATOM 53 C ARG A 5 8.380 6.727 0.465 1.00 0.00 C ATOM 54 O ARG A 5 8.855 7.828 0.744 1.00 0.00 O ATOM 55 CB ARG A 5 8.535 5.629 -1.777 1.00 0.00 C ATOM 56 CG ARG A 5 9.317 4.744 -2.734 1.00 0.00 C ATOM 57 CD ARG A 5 10.475 5.497 -3.369 1.00 0.00 C ATOM 58 NE ARG A 5 11.565 4.603 -3.752 1.00 0.00 N ATOM 59 CZ ARG A 5 12.695 5.020 -4.312 1.00 0.00 C ATOM 60 NH1 ARG A 5 12.883 6.310 -4.552 1.00 0.00 N ATOM 61 NH2 ARG A 5 13.640 4.146 -4.632 1.00 0.00 N ATOM 0 H ARG A 5 8.681 3.694 -0.249 1.00 0.00 H new ATOM 0 HA ARG A 5 10.188 6.086 -0.480 1.00 0.00 H new ATOM 0 HB2 ARG A 5 7.521 5.240 -1.682 1.00 0.00 H new ATOM 0 HB3 ARG A 5 8.455 6.629 -2.204 1.00 0.00 H new ATOM 0 HG2 ARG A 5 9.697 3.874 -2.198 1.00 0.00 H new ATOM 0 HG3 ARG A 5 8.652 4.373 -3.514 1.00 0.00 H new ATOM 0 HD2 ARG A 5 10.120 6.033 -4.249 1.00 0.00 H new ATOM 0 HD3 ARG A 5 10.848 6.245 -2.669 1.00 0.00 H new ATOM 0 HE ARG A 5 11.452 3.604 -3.580 1.00 0.00 H new ATOM 0 HH11 ARG A 5 12.159 6.985 -4.307 1.00 0.00 H new ATOM 0 HH12 ARG A 5 13.752 6.627 -4.982 1.00 0.00 H new ATOM 0 HH21 ARG A 5 13.499 3.153 -4.448 1.00 0.00 H new ATOM 0 HH22 ARG A 5 14.507 4.467 -5.062 1.00 0.00 H new ATOM 75 N LEU A 6 7.179 6.333 0.875 1.00 0.00 N ATOM 76 CA LEU A 6 6.330 7.192 1.694 1.00 0.00 C ATOM 77 C LEU A 6 7.024 7.554 3.003 1.00 0.00 C ATOM 78 O LEU A 6 6.970 8.701 3.448 1.00 0.00 O ATOM 79 CB LEU A 6 4.999 6.498 1.985 1.00 0.00 C ATOM 80 CG LEU A 6 3.992 7.297 2.813 1.00 0.00 C ATOM 81 CD1 LEU A 6 3.404 8.432 1.988 1.00 0.00 C ATOM 82 CD2 LEU A 6 2.889 6.388 3.335 1.00 0.00 C ATOM 0 H LEU A 6 6.771 5.425 0.654 1.00 0.00 H new ATOM 0 HA LEU A 6 6.140 8.110 1.138 1.00 0.00 H new ATOM 0 HB2 LEU A 6 4.533 6.238 1.035 1.00 0.00 H new ATOM 0 HB3 LEU A 6 5.206 5.563 2.505 1.00 0.00 H new ATOM 0 HG LEU A 6 4.514 7.728 3.667 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.690 8.990 2.593 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.203 9.098 1.664 1.00 0.00 H new ATOM 0 HD13 LEU A 6 2.897 8.022 1.114 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.182 6.974 3.922 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.369 5.927 2.495 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.325 5.611 3.963 1.00 0.00 H new ATOM 94 N ARG A 7 7.678 6.571 3.612 1.00 0.00 N ATOM 95 CA ARG A 7 8.383 6.786 4.870 1.00 0.00 C ATOM 96 C ARG A 7 9.543 7.760 4.682 1.00 0.00 C ATOM 97 O ARG A 7 9.704 8.706 5.453 1.00 0.00 O ATOM 98 CB ARG A 7 8.903 5.458 5.422 1.00 0.00 C ATOM 99 CG ARG A 7 9.538 5.577 6.798 1.00 0.00 C ATOM 100 CD ARG A 7 8.496 5.491 7.902 1.00 0.00 C ATOM 101 NE ARG A 7 8.892 4.561 8.957 1.00 0.00 N ATOM 102 CZ ARG A 7 9.848 4.818 9.842 1.00 0.00 C ATOM 103 NH1 ARG A 7 10.502 5.971 9.800 1.00 0.00 N ATOM 104 NH2 ARG A 7 10.150 3.922 10.773 1.00 0.00 N ATOM 0 H ARG A 7 7.735 5.617 3.255 1.00 0.00 H new ATOM 0 HA ARG A 7 7.680 7.217 5.583 1.00 0.00 H new ATOM 0 HB2 ARG A 7 8.078 4.747 5.472 1.00 0.00 H new ATOM 0 HB3 ARG A 7 9.636 5.047 4.727 1.00 0.00 H new ATOM 0 HG2 ARG A 7 10.275 4.785 6.929 1.00 0.00 H new ATOM 0 HG3 ARG A 7 10.072 6.524 6.873 1.00 0.00 H new ATOM 0 HD2 ARG A 7 8.340 6.481 8.331 1.00 0.00 H new ATOM 0 HD3 ARG A 7 7.543 5.174 7.478 1.00 0.00 H new ATOM 0 HE ARG A 7 8.408 3.665 9.017 1.00 0.00 H new ATOM 0 HH11 ARG A 7 10.271 6.663 9.087 1.00 0.00 H new ATOM 0 HH12 ARG A 7 11.236 6.166 10.481 1.00 0.00 H new ATOM 0 HH21 ARG A 7 9.648 3.035 10.809 1.00 0.00 H new ATOM 0 HH22 ARG A 7 10.885 4.120 11.452 1.00 0.00 H new ATOM 118 N ASP A 8 10.349 7.520 3.653 1.00 0.00 N ATOM 119 CA ASP A 8 11.494 8.376 3.363 1.00 0.00 C ATOM 120 C ASP A 8 11.042 9.792 3.021 1.00 0.00 C ATOM 121 O ASP A 8 11.558 10.768 3.564 1.00 0.00 O ATOM 122 CB ASP A 8 12.312 7.795 2.209 1.00 0.00 C ATOM 123 CG ASP A 8 12.918 6.448 2.548 1.00 0.00 C ATOM 124 OD1 ASP A 8 12.954 6.098 3.747 1.00 0.00 O ATOM 125 OD2 ASP A 8 13.356 5.743 1.616 1.00 0.00 O ATOM 0 H ASP A 8 10.231 6.740 3.006 1.00 0.00 H new ATOM 0 HA ASP A 8 12.119 8.420 4.255 1.00 0.00 H new ATOM 0 HB2 ASP A 8 11.674 7.692 1.331 1.00 0.00 H new ATOM 0 HB3 ASP A 8 13.108 8.492 1.945 1.00 0.00 H new ATOM 130 N VAL A 9 10.074 9.896 2.116 1.00 0.00 N ATOM 131 CA VAL A 9 9.552 11.193 1.701 1.00 0.00 C ATOM 132 C VAL A 9 8.905 11.925 2.871 1.00 0.00 C ATOM 133 O VAL A 9 9.244 13.072 3.162 1.00 0.00 O ATOM 134 CB VAL A 9 8.519 11.045 0.568 1.00 0.00 C ATOM 135 CG1 VAL A 9 7.951 12.403 0.182 1.00 0.00 C ATOM 136 CG2 VAL A 9 9.144 10.358 -0.637 1.00 0.00 C ATOM 0 H VAL A 9 9.635 9.098 1.656 1.00 0.00 H new ATOM 0 HA VAL A 9 10.400 11.774 1.337 1.00 0.00 H new ATOM 0 HB VAL A 9 7.699 10.423 0.927 1.00 0.00 H new ATOM 0 HG11 VAL A 9 7.223 12.278 -0.620 1.00 0.00 H new ATOM 0 HG12 VAL A 9 7.464 12.853 1.047 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.758 13.052 -0.158 1.00 0.00 H new ATOM 0 HG21 VAL A 9 8.400 10.262 -1.428 1.00 0.00 H new ATOM 0 HG22 VAL A 9 9.984 10.951 -0.999 1.00 0.00 H new ATOM 0 HG23 VAL A 9 9.497 9.368 -0.349 1.00 0.00 H new ATOM 146 N ARG A 10 7.973 11.254 3.540 1.00 0.00 N ATOM 147 CA ARG A 10 7.278 11.841 4.679 1.00 0.00 C ATOM 148 C ARG A 10 8.272 12.372 5.707 1.00 0.00 C ATOM 149 O ARG A 10 8.153 13.505 6.172 1.00 0.00 O ATOM 150 CB ARG A 10 6.357 10.808 5.330 1.00 0.00 C ATOM 151 CG ARG A 10 5.547 11.360 6.491 1.00 0.00 C ATOM 152 CD ARG A 10 4.538 12.397 6.024 1.00 0.00 C ATOM 153 NE ARG A 10 3.165 11.992 6.312 1.00 0.00 N ATOM 154 CZ ARG A 10 2.112 12.782 6.129 1.00 0.00 C ATOM 155 NH1 ARG A 10 2.276 14.012 5.661 1.00 0.00 N ATOM 156 NH2 ARG A 10 0.893 12.342 6.413 1.00 0.00 N ATOM 0 H ARG A 10 7.682 10.303 3.313 1.00 0.00 H new ATOM 0 HA ARG A 10 6.677 12.675 4.316 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.675 10.416 4.576 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.958 9.970 5.683 1.00 0.00 H new ATOM 0 HG2 ARG A 10 5.026 10.544 6.993 1.00 0.00 H new ATOM 0 HG3 ARG A 10 6.218 11.808 7.224 1.00 0.00 H new ATOM 0 HD2 ARG A 10 4.745 13.350 6.512 1.00 0.00 H new ATOM 0 HD3 ARG A 10 4.652 12.556 4.952 1.00 0.00 H new ATOM 0 HE ARG A 10 3.005 11.052 6.673 1.00 0.00 H new ATOM 0 HH11 ARG A 10 3.212 14.353 5.441 1.00 0.00 H new ATOM 0 HH12 ARG A 10 1.467 14.617 5.521 1.00 0.00 H new ATOM 0 HH21 ARG A 10 0.763 11.396 6.772 1.00 0.00 H new ATOM 0 HH22 ARG A 10 0.086 12.949 6.272 1.00 0.00 H new ATOM 170 N GLU A 11 9.251 11.544 6.058 1.00 0.00 N ATOM 171 CA GLU A 11 10.265 11.931 7.033 1.00 0.00 C ATOM 172 C GLU A 11 11.132 13.065 6.496 1.00 0.00 C ATOM 173 O GLU A 11 11.447 14.014 7.214 1.00 0.00 O ATOM 174 CB GLU A 11 11.142 10.730 7.393 1.00 0.00 C ATOM 175 CG GLU A 11 12.210 11.044 8.427 1.00 0.00 C ATOM 176 CD GLU A 11 12.235 10.041 9.564 1.00 0.00 C ATOM 177 OE1 GLU A 11 11.151 9.719 10.094 1.00 0.00 O ATOM 178 OE2 GLU A 11 13.337 9.577 9.923 1.00 0.00 O ATOM 0 H GLU A 11 9.364 10.602 5.683 1.00 0.00 H new ATOM 0 HA GLU A 11 9.755 12.281 7.930 1.00 0.00 H new ATOM 0 HB2 GLU A 11 10.508 9.928 7.770 1.00 0.00 H new ATOM 0 HB3 GLU A 11 11.623 10.358 6.488 1.00 0.00 H new ATOM 0 HG2 GLU A 11 13.186 11.062 7.942 1.00 0.00 H new ATOM 0 HG3 GLU A 11 12.037 12.041 8.831 1.00 0.00 H new ATOM 185 N ARG A 12 11.516 12.959 5.228 1.00 0.00 N ATOM 186 CA ARG A 12 12.348 13.974 4.594 1.00 0.00 C ATOM 187 C ARG A 12 11.655 15.333 4.609 1.00 0.00 C ATOM 188 O ARG A 12 12.266 16.350 4.940 1.00 0.00 O ATOM 189 CB ARG A 12 12.673 13.572 3.154 1.00 0.00 C ATOM 190 CG ARG A 12 13.892 12.672 3.033 1.00 0.00 C ATOM 191 CD ARG A 12 15.183 13.459 3.196 1.00 0.00 C ATOM 192 NE ARG A 12 16.006 12.940 4.286 1.00 0.00 N ATOM 193 CZ ARG A 12 17.198 13.430 4.604 1.00 0.00 C ATOM 194 NH1 ARG A 12 17.705 14.447 3.919 1.00 0.00 N ATOM 195 NH2 ARG A 12 17.887 12.904 5.609 1.00 0.00 N ATOM 0 H ARG A 12 11.264 12.180 4.620 1.00 0.00 H new ATOM 0 HA ARG A 12 13.276 14.052 5.161 1.00 0.00 H new ATOM 0 HB2 ARG A 12 11.811 13.061 2.725 1.00 0.00 H new ATOM 0 HB3 ARG A 12 12.837 14.473 2.562 1.00 0.00 H new ATOM 0 HG2 ARG A 12 13.844 11.889 3.789 1.00 0.00 H new ATOM 0 HG3 ARG A 12 13.886 12.178 2.062 1.00 0.00 H new ATOM 0 HD2 ARG A 12 15.749 13.423 2.265 1.00 0.00 H new ATOM 0 HD3 ARG A 12 14.948 14.506 3.386 1.00 0.00 H new ATOM 0 HE ARG A 12 15.645 12.158 4.833 1.00 0.00 H new ATOM 0 HH11 ARG A 12 17.179 14.854 3.146 1.00 0.00 H new ATOM 0 HH12 ARG A 12 18.621 14.822 4.165 1.00 0.00 H new ATOM 0 HH21 ARG A 12 17.501 12.122 6.138 1.00 0.00 H new ATOM 0 HH22 ARG A 12 18.803 13.282 5.852 1.00 0.00 H new ATOM 209 N LEU A 13 10.376 15.343 4.249 1.00 0.00 N ATOM 210 CA LEU A 13 9.599 16.578 4.221 1.00 0.00 C ATOM 211 C LEU A 13 9.450 17.160 5.623 1.00 0.00 C ATOM 212 O LEU A 13 9.714 18.341 5.846 1.00 0.00 O ATOM 213 CB LEU A 13 8.218 16.320 3.615 1.00 0.00 C ATOM 214 CG LEU A 13 7.771 17.296 2.526 1.00 0.00 C ATOM 215 CD1 LEU A 13 6.443 16.858 1.928 1.00 0.00 C ATOM 216 CD2 LEU A 13 7.666 18.708 3.085 1.00 0.00 C ATOM 0 H LEU A 13 9.855 14.511 3.973 1.00 0.00 H new ATOM 0 HA LEU A 13 10.132 17.300 3.603 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.208 15.313 3.199 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.481 16.340 4.418 1.00 0.00 H new ATOM 0 HG LEU A 13 8.521 17.294 1.735 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.141 17.565 1.155 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.551 15.866 1.490 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.684 16.829 2.710 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.347 19.389 2.296 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.938 18.725 3.896 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.638 19.022 3.464 1.00 0.00 H new ATOM 228 N GLN A 14 9.029 16.322 6.565 1.00 0.00 N ATOM 229 CA GLN A 14 8.848 16.753 7.946 1.00 0.00 C ATOM 230 C GLN A 14 10.103 17.444 8.469 1.00 0.00 C ATOM 231 O GLN A 14 10.081 18.632 8.789 1.00 0.00 O ATOM 232 CB GLN A 14 8.500 15.558 8.834 1.00 0.00 C ATOM 233 CG GLN A 14 7.162 14.919 8.500 1.00 0.00 C ATOM 234 CD GLN A 14 6.073 15.295 9.486 1.00 0.00 C ATOM 235 OE1 GLN A 14 5.323 14.439 9.955 1.00 0.00 O ATOM 236 NE2 GLN A 14 5.982 16.581 9.805 1.00 0.00 N ATOM 0 H GLN A 14 8.807 15.341 6.397 1.00 0.00 H new ATOM 0 HA GLN A 14 8.025 17.467 7.973 1.00 0.00 H new ATOM 0 HB2 GLN A 14 9.285 14.807 8.742 1.00 0.00 H new ATOM 0 HB3 GLN A 14 8.489 15.881 9.875 1.00 0.00 H new ATOM 0 HG2 GLN A 14 6.859 15.222 7.498 1.00 0.00 H new ATOM 0 HG3 GLN A 14 7.275 13.835 8.485 1.00 0.00 H new ATOM 0 HE21 GLN A 14 6.625 17.256 9.391 1.00 0.00 H new ATOM 0 HE22 GLN A 14 5.269 16.894 10.464 1.00 0.00 H new ATOM 245 N ALA A 15 11.194 16.691 8.555 1.00 0.00 N ATOM 246 CA ALA A 15 12.459 17.231 9.038 1.00 0.00 C ATOM 247 C ALA A 15 12.873 18.461 8.236 1.00 0.00 C ATOM 248 O ALA A 15 13.348 19.448 8.797 1.00 0.00 O ATOM 249 CB ALA A 15 13.545 16.168 8.976 1.00 0.00 C ATOM 0 H ALA A 15 11.228 15.705 8.296 1.00 0.00 H new ATOM 0 HA ALA A 15 12.323 17.535 10.076 1.00 0.00 H new ATOM 0 HB1 ALA A 15 14.484 16.585 9.340 1.00 0.00 H new ATOM 0 HB2 ALA A 15 13.260 15.320 9.598 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.671 15.836 7.945 1.00 0.00 H new ATOM 255 N TRP A 16 12.691 18.393 6.922 1.00 0.00 N ATOM 256 CA TRP A 16 13.047 19.501 6.043 1.00 0.00 C ATOM 257 C TRP A 16 12.420 20.803 6.528 1.00 0.00 C ATOM 258 O TRP A 16 13.103 21.659 7.089 1.00 0.00 O ATOM 259 CB TRP A 16 12.599 19.206 4.611 1.00 0.00 C ATOM 260 CG TRP A 16 12.713 20.390 3.698 1.00 0.00 C ATOM 261 CD1 TRP A 16 11.721 20.932 2.932 1.00 0.00 C ATOM 262 CD2 TRP A 16 13.885 21.175 3.455 1.00 0.00 C ATOM 263 NE1 TRP A 16 12.206 22.007 2.227 1.00 0.00 N ATOM 264 CE2 TRP A 16 13.530 22.178 2.531 1.00 0.00 C ATOM 265 CE3 TRP A 16 15.199 21.131 3.929 1.00 0.00 C ATOM 266 CZ2 TRP A 16 14.443 23.125 2.074 1.00 0.00 C ATOM 267 CZ3 TRP A 16 16.103 22.071 3.474 1.00 0.00 C ATOM 268 CH2 TRP A 16 15.722 23.057 2.555 1.00 0.00 C ATOM 0 H TRP A 16 12.299 17.583 6.442 1.00 0.00 H new ATOM 0 HA TRP A 16 14.131 19.614 6.061 1.00 0.00 H new ATOM 0 HB2 TRP A 16 13.199 18.389 4.211 1.00 0.00 H new ATOM 0 HB3 TRP A 16 11.564 18.865 4.625 1.00 0.00 H new ATOM 0 HD1 TRP A 16 10.705 20.569 2.887 1.00 0.00 H new ATOM 0 HE1 TRP A 16 11.667 22.584 1.582 1.00 0.00 H new ATOM 0 HE3 TRP A 16 15.502 20.375 4.639 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 14.152 23.886 1.365 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 17.121 22.045 3.833 1.00 0.00 H new ATOM 0 HH2 TRP A 16 16.453 23.778 2.219 1.00 0.00 H new ATOM 279 N GLU A 17 11.117 20.945 6.308 1.00 0.00 N ATOM 280 CA GLU A 17 10.399 22.145 6.722 1.00 0.00 C ATOM 281 C GLU A 17 10.658 22.453 8.194 1.00 0.00 C ATOM 282 O GLU A 17 10.676 23.614 8.603 1.00 0.00 O ATOM 283 CB GLU A 17 8.898 21.977 6.482 1.00 0.00 C ATOM 284 CG GLU A 17 8.255 20.917 7.361 1.00 0.00 C ATOM 285 CD GLU A 17 6.745 20.889 7.232 1.00 0.00 C ATOM 286 OE1 GLU A 17 6.160 21.937 6.885 1.00 0.00 O ATOM 287 OE2 GLU A 17 6.147 19.821 7.479 1.00 0.00 O ATOM 0 H GLU A 17 10.537 20.245 5.846 1.00 0.00 H new ATOM 0 HA GLU A 17 10.764 22.980 6.124 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.402 22.932 6.657 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.733 21.719 5.436 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.657 19.939 7.097 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.524 21.101 8.401 1.00 0.00 H new ATOM 294 N ARG A 18 10.858 21.404 8.986 1.00 0.00 N ATOM 295 CA ARG A 18 11.114 21.561 10.412 1.00 0.00 C ATOM 296 C ARG A 18 12.303 22.488 10.652 1.00 0.00 C ATOM 297 O ARG A 18 12.134 23.637 11.058 1.00 0.00 O ATOM 298 CB ARG A 18 11.378 20.199 11.058 1.00 0.00 C ATOM 299 CG ARG A 18 10.201 19.669 11.861 1.00 0.00 C ATOM 300 CD ARG A 18 9.906 20.550 13.064 1.00 0.00 C ATOM 301 NE ARG A 18 8.952 19.927 13.978 1.00 0.00 N ATOM 302 CZ ARG A 18 8.646 20.423 15.172 1.00 0.00 C ATOM 303 NH1 ARG A 18 9.214 21.545 15.592 1.00 0.00 N ATOM 304 NH2 ARG A 18 7.769 19.798 15.946 1.00 0.00 N ATOM 0 H ARG A 18 10.848 20.436 8.663 1.00 0.00 H new ATOM 0 HA ARG A 18 10.229 22.006 10.867 1.00 0.00 H new ATOM 0 HB2 ARG A 18 11.629 19.479 10.279 1.00 0.00 H new ATOM 0 HB3 ARG A 18 12.247 20.278 11.711 1.00 0.00 H new ATOM 0 HG2 ARG A 18 9.319 19.615 11.223 1.00 0.00 H new ATOM 0 HG3 ARG A 18 10.415 18.654 12.196 1.00 0.00 H new ATOM 0 HD2 ARG A 18 10.834 20.760 13.596 1.00 0.00 H new ATOM 0 HD3 ARG A 18 9.510 21.507 12.724 1.00 0.00 H new ATOM 0 HE ARG A 18 8.496 19.064 13.683 1.00 0.00 H new ATOM 0 HH11 ARG A 18 9.887 22.029 14.998 1.00 0.00 H new ATOM 0 HH12 ARG A 18 8.978 21.924 16.509 1.00 0.00 H new ATOM 0 HH21 ARG A 18 7.329 18.936 15.625 1.00 0.00 H new ATOM 0 HH22 ARG A 18 7.535 20.180 16.862 1.00 0.00 H new ATOM 318 N ALA A 19 13.504 21.979 10.400 1.00 0.00 N ATOM 319 CA ALA A 19 14.720 22.761 10.587 1.00 0.00 C ATOM 320 C ALA A 19 14.763 23.947 9.629 1.00 0.00 C ATOM 321 O ALA A 19 15.301 25.004 9.958 1.00 0.00 O ATOM 322 CB ALA A 19 15.947 21.882 10.398 1.00 0.00 C ATOM 0 H ALA A 19 13.661 21.028 10.066 1.00 0.00 H new ATOM 0 HA ALA A 19 14.719 23.150 11.605 1.00 0.00 H new ATOM 0 HB1 ALA A 19 16.848 22.479 10.541 1.00 0.00 H new ATOM 0 HB2 ALA A 19 15.930 21.072 11.127 1.00 0.00 H new ATOM 0 HB3 ALA A 19 15.944 21.465 9.391 1.00 0.00 H new ATOM 328 N PHE A 20 14.193 23.764 8.442 1.00 0.00 N ATOM 329 CA PHE A 20 14.168 24.819 7.436 1.00 0.00 C ATOM 330 C PHE A 20 13.594 26.109 8.014 1.00 0.00 C ATOM 331 O PHE A 20 14.295 27.114 8.132 1.00 0.00 O ATOM 332 CB PHE A 20 13.343 24.378 6.225 1.00 0.00 C ATOM 333 CG PHE A 20 12.805 25.524 5.417 1.00 0.00 C ATOM 334 CD1 PHE A 20 13.651 26.300 4.642 1.00 0.00 C ATOM 335 CD2 PHE A 20 11.452 25.825 5.432 1.00 0.00 C ATOM 336 CE1 PHE A 20 13.158 27.356 3.898 1.00 0.00 C ATOM 337 CE2 PHE A 20 10.954 26.879 4.690 1.00 0.00 C ATOM 338 CZ PHE A 20 11.808 27.645 3.921 1.00 0.00 C ATOM 0 H PHE A 20 13.743 22.895 8.154 1.00 0.00 H new ATOM 0 HA PHE A 20 15.194 25.009 7.119 1.00 0.00 H new ATOM 0 HB2 PHE A 20 13.961 23.750 5.583 1.00 0.00 H new ATOM 0 HB3 PHE A 20 12.511 23.763 6.567 1.00 0.00 H new ATOM 0 HD1 PHE A 20 14.708 26.078 4.619 1.00 0.00 H new ATOM 0 HD2 PHE A 20 10.779 25.229 6.031 1.00 0.00 H new ATOM 0 HE1 PHE A 20 13.829 27.955 3.299 1.00 0.00 H new ATOM 0 HE2 PHE A 20 9.898 27.104 4.711 1.00 0.00 H new ATOM 0 HZ PHE A 20 11.421 28.468 3.339 1.00 0.00 H new ATOM 348 N ARG A 21 12.315 26.072 8.373 1.00 0.00 N ATOM 349 CA ARG A 21 11.646 27.238 8.937 1.00 0.00 C ATOM 350 C ARG A 21 12.187 27.555 10.328 1.00 0.00 C ATOM 351 O ARG A 21 11.919 28.622 10.880 1.00 0.00 O ATOM 352 CB ARG A 21 10.136 27.002 9.007 1.00 0.00 C ATOM 353 CG ARG A 21 9.377 28.115 9.710 1.00 0.00 C ATOM 354 CD ARG A 21 8.057 28.413 9.017 1.00 0.00 C ATOM 355 NE ARG A 21 7.054 28.926 9.947 1.00 0.00 N ATOM 356 CZ ARG A 21 6.403 28.165 10.819 1.00 0.00 C ATOM 357 NH1 ARG A 21 6.647 26.863 10.880 1.00 0.00 N ATOM 358 NH2 ARG A 21 5.505 28.706 11.633 1.00 0.00 N ATOM 0 H ARG A 21 11.721 25.247 8.283 1.00 0.00 H new ATOM 0 HA ARG A 21 11.844 28.090 8.286 1.00 0.00 H new ATOM 0 HB2 ARG A 21 9.747 26.892 7.995 1.00 0.00 H new ATOM 0 HB3 ARG A 21 9.948 26.062 9.525 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.190 27.831 10.746 1.00 0.00 H new ATOM 0 HG3 ARG A 21 9.989 29.017 9.732 1.00 0.00 H new ATOM 0 HD2 ARG A 21 8.221 29.141 8.223 1.00 0.00 H new ATOM 0 HD3 ARG A 21 7.682 27.505 8.545 1.00 0.00 H new ATOM 0 HE ARG A 21 6.842 29.924 9.925 1.00 0.00 H new ATOM 0 HH11 ARG A 21 7.336 26.444 10.256 1.00 0.00 H new ATOM 0 HH12 ARG A 21 6.145 26.281 11.551 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.314 29.707 11.589 1.00 0.00 H new ATOM 0 HH22 ARG A 21 5.005 28.121 12.302 1.00 0.00 H new ATOM 372 N ARG A 22 12.949 26.621 10.888 1.00 0.00 N ATOM 373 CA ARG A 22 13.526 26.801 12.215 1.00 0.00 C ATOM 374 C ARG A 22 14.713 27.758 12.166 1.00 0.00 C ATOM 375 O ARG A 22 14.801 28.693 12.961 1.00 0.00 O ATOM 376 CB ARG A 22 13.967 25.453 12.789 1.00 0.00 C ATOM 377 CG ARG A 22 14.470 25.536 14.221 1.00 0.00 C ATOM 378 CD ARG A 22 15.506 24.462 14.510 1.00 0.00 C ATOM 379 NE ARG A 22 15.160 23.671 15.688 1.00 0.00 N ATOM 380 CZ ARG A 22 15.770 22.537 16.017 1.00 0.00 C ATOM 381 NH1 ARG A 22 16.751 22.064 15.261 1.00 0.00 N ATOM 382 NH2 ARG A 22 15.398 21.874 17.105 1.00 0.00 N ATOM 0 H ARG A 22 13.181 25.733 10.444 1.00 0.00 H new ATOM 0 HA ARG A 22 12.761 27.231 12.862 1.00 0.00 H new ATOM 0 HB2 ARG A 22 13.128 24.758 12.747 1.00 0.00 H new ATOM 0 HB3 ARG A 22 14.755 25.040 12.159 1.00 0.00 H new ATOM 0 HG2 ARG A 22 14.905 26.520 14.399 1.00 0.00 H new ATOM 0 HG3 ARG A 22 13.632 25.429 14.909 1.00 0.00 H new ATOM 0 HD2 ARG A 22 15.597 23.804 13.646 1.00 0.00 H new ATOM 0 HD3 ARG A 22 16.480 24.928 14.660 1.00 0.00 H new ATOM 0 HE ARG A 22 14.409 24.007 16.291 1.00 0.00 H new ATOM 0 HH11 ARG A 22 17.040 22.571 14.424 1.00 0.00 H new ATOM 0 HH12 ARG A 22 17.217 21.193 15.516 1.00 0.00 H new ATOM 0 HH21 ARG A 22 14.644 22.235 17.689 1.00 0.00 H new ATOM 0 HH22 ARG A 22 15.866 21.004 17.357 1.00 0.00 H new ATOM 396 N GLN A 23 15.624 27.516 11.229 1.00 0.00 N ATOM 397 CA GLN A 23 16.806 28.356 11.078 1.00 0.00 C ATOM 398 C GLN A 23 16.592 29.408 9.995 1.00 0.00 C ATOM 399 O GLN A 23 16.829 30.596 10.215 1.00 0.00 O ATOM 400 CB GLN A 23 18.027 27.498 10.739 1.00 0.00 C ATOM 401 CG GLN A 23 18.288 26.387 11.742 1.00 0.00 C ATOM 402 CD GLN A 23 19.664 26.479 12.371 1.00 0.00 C ATOM 403 OE1 GLN A 23 20.619 25.863 11.896 1.00 0.00 O ATOM 404 NE2 GLN A 23 19.774 27.251 13.446 1.00 0.00 N ATOM 0 H GLN A 23 15.566 26.745 10.563 1.00 0.00 H new ATOM 0 HA GLN A 23 16.981 28.867 12.025 1.00 0.00 H new ATOM 0 HB2 GLN A 23 17.889 27.059 9.751 1.00 0.00 H new ATOM 0 HB3 GLN A 23 18.907 28.139 10.683 1.00 0.00 H new ATOM 0 HG2 GLN A 23 17.531 26.425 12.526 1.00 0.00 H new ATOM 0 HG3 GLN A 23 18.184 25.422 11.245 1.00 0.00 H new ATOM 0 HE21 GLN A 23 18.957 27.744 13.806 1.00 0.00 H new ATOM 0 HE22 GLN A 23 20.676 27.351 13.912 1.00 0.00 H new ATOM 413 N ARG A 24 16.144 28.963 8.826 1.00 0.00 N ATOM 414 CA ARG A 24 15.900 29.867 7.708 1.00 0.00 C ATOM 415 C ARG A 24 14.772 30.842 8.033 1.00 0.00 C ATOM 416 O ARG A 24 14.866 32.035 7.744 1.00 0.00 O ATOM 417 CB ARG A 24 15.552 29.072 6.448 1.00 0.00 C ATOM 418 CG ARG A 24 16.456 27.871 6.217 1.00 0.00 C ATOM 419 CD ARG A 24 17.922 28.272 6.204 1.00 0.00 C ATOM 420 NE ARG A 24 18.802 27.123 6.012 1.00 0.00 N ATOM 421 CZ ARG A 24 20.091 27.121 6.336 1.00 0.00 C ATOM 422 NH1 ARG A 24 20.646 28.203 6.865 1.00 0.00 N ATOM 423 NH2 ARG A 24 20.826 26.036 6.132 1.00 0.00 N ATOM 0 H ARG A 24 15.943 27.983 8.628 1.00 0.00 H new ATOM 0 HA ARG A 24 16.811 30.438 7.530 1.00 0.00 H new ATOM 0 HB2 ARG A 24 14.519 28.731 6.517 1.00 0.00 H new ATOM 0 HB3 ARG A 24 15.612 29.733 5.583 1.00 0.00 H new ATOM 0 HG2 ARG A 24 16.287 27.131 6.999 1.00 0.00 H new ATOM 0 HG3 ARG A 24 16.199 27.397 5.270 1.00 0.00 H new ATOM 0 HD2 ARG A 24 18.093 28.996 5.408 1.00 0.00 H new ATOM 0 HD3 ARG A 24 18.171 28.766 7.143 1.00 0.00 H new ATOM 0 HE ARG A 24 18.406 26.275 5.607 1.00 0.00 H new ATOM 0 HH11 ARG A 24 20.083 29.039 7.024 1.00 0.00 H new ATOM 0 HH12 ARG A 24 21.635 28.199 7.113 1.00 0.00 H new ATOM 0 HH21 ARG A 24 20.402 25.202 5.726 1.00 0.00 H new ATOM 0 HH22 ARG A 24 21.815 26.036 6.381 1.00 0.00 H new ATOM 437 N GLY A 25 13.706 30.326 8.637 1.00 0.00 N ATOM 438 CA GLY A 25 12.576 31.165 8.991 1.00 0.00 C ATOM 439 C GLY A 25 12.085 32.000 7.824 1.00 0.00 C ATOM 440 O GLY A 25 11.605 33.118 8.011 1.00 0.00 O ATOM 0 H GLY A 25 13.605 29.342 8.887 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.761 30.538 9.353 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.860 31.824 9.811 1.00 0.00 H new ATOM 444 N ARG A 26 12.207 31.457 6.618 1.00 0.00 N ATOM 445 CA ARG A 26 11.775 32.161 5.416 1.00 0.00 C ATOM 446 C ARG A 26 12.100 31.350 4.165 1.00 0.00 C ATOM 447 O ARG A 26 12.762 30.315 4.238 1.00 0.00 O ATOM 448 CB ARG A 26 12.444 33.534 5.335 1.00 0.00 C ATOM 449 CG ARG A 26 11.460 34.692 5.338 1.00 0.00 C ATOM 450 CD ARG A 26 12.143 36.005 4.989 1.00 0.00 C ATOM 451 NE ARG A 26 12.384 36.828 6.171 1.00 0.00 N ATOM 452 CZ ARG A 26 13.229 37.853 6.193 1.00 0.00 C ATOM 453 NH1 ARG A 26 13.910 38.178 5.103 1.00 0.00 N ATOM 454 NH2 ARG A 26 13.394 38.555 7.307 1.00 0.00 N ATOM 0 H ARG A 26 12.601 30.532 6.447 1.00 0.00 H new ATOM 0 HA ARG A 26 10.695 32.294 5.472 1.00 0.00 H new ATOM 0 HB2 ARG A 26 13.127 33.646 6.177 1.00 0.00 H new ATOM 0 HB3 ARG A 26 13.046 33.582 4.428 1.00 0.00 H new ATOM 0 HG2 ARG A 26 10.662 34.494 4.622 1.00 0.00 H new ATOM 0 HG3 ARG A 26 10.995 34.773 6.320 1.00 0.00 H new ATOM 0 HD2 ARG A 26 13.091 35.799 4.491 1.00 0.00 H new ATOM 0 HD3 ARG A 26 11.525 36.558 4.282 1.00 0.00 H new ATOM 0 HE ARG A 26 11.876 36.604 7.026 1.00 0.00 H new ATOM 0 HH11 ARG A 26 13.786 37.641 4.245 1.00 0.00 H new ATOM 0 HH12 ARG A 26 14.558 38.965 5.122 1.00 0.00 H new ATOM 0 HH21 ARG A 26 12.872 38.308 8.148 1.00 0.00 H new ATOM 0 HH22 ARG A 26 14.043 39.342 7.323 1.00 0.00 H new ATOM 468 N ARG A 27 11.629 31.829 3.018 1.00 0.00 N ATOM 469 CA ARG A 27 11.869 31.148 1.751 1.00 0.00 C ATOM 470 C ARG A 27 13.339 30.768 1.607 1.00 0.00 C ATOM 471 O ARG A 27 14.240 31.518 1.984 1.00 0.00 O ATOM 472 CB ARG A 27 11.444 32.038 0.581 1.00 0.00 C ATOM 473 CG ARG A 27 10.563 31.329 -0.435 1.00 0.00 C ATOM 474 CD ARG A 27 9.806 32.322 -1.303 1.00 0.00 C ATOM 475 NE ARG A 27 10.622 32.816 -2.409 1.00 0.00 N ATOM 476 CZ ARG A 27 10.224 33.765 -3.249 1.00 0.00 C ATOM 477 NH1 ARG A 27 9.027 34.318 -3.111 1.00 0.00 N ATOM 478 NH2 ARG A 27 11.024 34.162 -4.230 1.00 0.00 N ATOM 0 H ARG A 27 11.080 32.685 2.940 1.00 0.00 H new ATOM 0 HA ARG A 27 11.273 30.235 1.740 1.00 0.00 H new ATOM 0 HB2 ARG A 27 10.910 32.905 0.970 1.00 0.00 H new ATOM 0 HB3 ARG A 27 12.335 32.412 0.078 1.00 0.00 H new ATOM 0 HG2 ARG A 27 11.177 30.687 -1.066 1.00 0.00 H new ATOM 0 HG3 ARG A 27 9.855 30.683 0.084 1.00 0.00 H new ATOM 0 HD2 ARG A 27 8.908 31.847 -1.699 1.00 0.00 H new ATOM 0 HD3 ARG A 27 9.478 33.162 -0.691 1.00 0.00 H new ATOM 0 HE ARG A 27 11.548 32.410 -2.544 1.00 0.00 H new ATOM 0 HH11 ARG A 27 8.409 34.015 -2.358 1.00 0.00 H new ATOM 0 HH12 ARG A 27 8.724 35.046 -3.758 1.00 0.00 H new ATOM 0 HH21 ARG A 27 11.945 33.738 -4.340 1.00 0.00 H new ATOM 0 HH22 ARG A 27 10.718 34.891 -4.875 1.00 0.00 H new ATOM 492 N PRO A 28 13.590 29.574 1.048 1.00 0.00 N ATOM 493 CA PRO A 28 14.950 29.067 0.842 1.00 0.00 C ATOM 494 C PRO A 28 15.699 29.840 -0.238 1.00 0.00 C ATOM 495 O PRO A 28 15.136 30.720 -0.889 1.00 0.00 O ATOM 496 CB PRO A 28 14.726 27.618 0.404 1.00 0.00 C ATOM 497 CG PRO A 28 13.361 27.610 -0.194 1.00 0.00 C ATOM 498 CD PRO A 28 12.566 28.628 0.575 1.00 0.00 C ATOM 0 HA PRO A 28 15.562 29.166 1.739 1.00 0.00 H new ATOM 0 HB2 PRO A 28 15.477 27.303 -0.320 1.00 0.00 H new ATOM 0 HB3 PRO A 28 14.792 26.934 1.250 1.00 0.00 H new ATOM 0 HG2 PRO A 28 13.398 27.863 -1.254 1.00 0.00 H new ATOM 0 HG3 PRO A 28 12.907 26.622 -0.118 1.00 0.00 H new ATOM 0 HD2 PRO A 28 11.826 29.120 -0.056 1.00 0.00 H new ATOM 0 HD3 PRO A 28 12.026 28.173 1.405 1.00 0.00 H new ATOM 506 N SER A 29 16.972 29.505 -0.424 1.00 0.00 N ATOM 507 CA SER A 29 17.799 30.170 -1.424 1.00 0.00 C ATOM 508 C SER A 29 18.405 29.156 -2.389 1.00 0.00 C ATOM 509 O SER A 29 18.440 27.959 -2.107 1.00 0.00 O ATOM 510 CB SER A 29 18.911 30.972 -0.744 1.00 0.00 C ATOM 511 OG SER A 29 18.528 31.373 0.560 1.00 0.00 O ATOM 0 H SER A 29 17.453 28.777 0.105 1.00 0.00 H new ATOM 0 HA SER A 29 17.164 30.851 -1.991 1.00 0.00 H new ATOM 0 HB2 SER A 29 19.818 30.369 -0.691 1.00 0.00 H new ATOM 0 HB3 SER A 29 19.148 31.851 -1.343 1.00 0.00 H new ATOM 0 HG SER A 29 19.257 31.882 0.973 1.00 0.00 H new ATOM 517 N GLN A 30 18.881 29.646 -3.530 1.00 0.00 N ATOM 518 CA GLN A 30 19.485 28.783 -4.538 1.00 0.00 C ATOM 519 C GLN A 30 20.665 28.010 -3.958 1.00 0.00 C ATOM 520 O GLN A 30 21.060 26.971 -4.487 1.00 0.00 O ATOM 521 CB GLN A 30 19.944 29.611 -5.740 1.00 0.00 C ATOM 522 CG GLN A 30 20.991 30.657 -5.394 1.00 0.00 C ATOM 523 CD GLN A 30 20.702 32.004 -6.026 1.00 0.00 C ATOM 524 OE1 GLN A 30 20.752 33.039 -5.361 1.00 0.00 O ATOM 525 NE2 GLN A 30 20.397 31.998 -7.318 1.00 0.00 N ATOM 0 H GLN A 30 18.860 30.635 -3.779 1.00 0.00 H new ATOM 0 HA GLN A 30 18.731 28.067 -4.865 1.00 0.00 H new ATOM 0 HB2 GLN A 30 20.349 28.941 -6.499 1.00 0.00 H new ATOM 0 HB3 GLN A 30 19.079 30.107 -6.181 1.00 0.00 H new ATOM 0 HG2 GLN A 30 21.041 30.771 -4.311 1.00 0.00 H new ATOM 0 HG3 GLN A 30 21.970 30.308 -5.723 1.00 0.00 H new ATOM 0 HE21 GLN A 30 20.367 31.117 -7.831 1.00 0.00 H new ATOM 0 HE22 GLN A 30 20.193 32.875 -7.798 1.00 0.00 H new ATOM 534 N ASP A 31 21.224 28.525 -2.868 1.00 0.00 N ATOM 535 CA ASP A 31 22.359 27.883 -2.215 1.00 0.00 C ATOM 536 C ASP A 31 21.930 26.591 -1.526 1.00 0.00 C ATOM 537 O ASP A 31 22.575 25.553 -1.675 1.00 0.00 O ATOM 538 CB ASP A 31 22.992 28.832 -1.197 1.00 0.00 C ATOM 539 CG ASP A 31 24.502 28.704 -1.147 1.00 0.00 C ATOM 540 OD1 ASP A 31 25.178 29.336 -1.986 1.00 0.00 O ATOM 541 OD2 ASP A 31 25.008 27.971 -0.271 1.00 0.00 O ATOM 0 H ASP A 31 20.910 29.385 -2.418 1.00 0.00 H new ATOM 0 HA ASP A 31 23.096 27.638 -2.980 1.00 0.00 H new ATOM 0 HB2 ASP A 31 22.725 29.859 -1.447 1.00 0.00 H new ATOM 0 HB3 ASP A 31 22.580 28.627 -0.209 1.00 0.00 H new ATOM 546 N ASP A 32 20.839 26.663 -0.772 1.00 0.00 N ATOM 547 CA ASP A 32 20.323 25.499 -0.060 1.00 0.00 C ATOM 548 C ASP A 32 19.493 24.618 -0.988 1.00 0.00 C ATOM 549 O ASP A 32 19.467 23.396 -0.843 1.00 0.00 O ATOM 550 CB ASP A 32 19.479 25.939 1.137 1.00 0.00 C ATOM 551 CG ASP A 32 19.952 25.321 2.438 1.00 0.00 C ATOM 552 OD1 ASP A 32 20.137 24.087 2.475 1.00 0.00 O ATOM 553 OD2 ASP A 32 20.136 26.072 3.419 1.00 0.00 O ATOM 0 H ASP A 32 20.294 27.515 -0.638 1.00 0.00 H new ATOM 0 HA ASP A 32 21.172 24.918 0.299 1.00 0.00 H new ATOM 0 HB2 ASP A 32 19.512 27.025 1.221 1.00 0.00 H new ATOM 0 HB3 ASP A 32 18.438 25.664 0.965 1.00 0.00 H new ATOM 558 N VAL A 33 18.813 25.247 -1.941 1.00 0.00 N ATOM 559 CA VAL A 33 17.981 24.521 -2.893 1.00 0.00 C ATOM 560 C VAL A 33 18.833 23.693 -3.848 1.00 0.00 C ATOM 561 O VAL A 33 18.559 22.515 -4.077 1.00 0.00 O ATOM 562 CB VAL A 33 17.096 25.481 -3.712 1.00 0.00 C ATOM 563 CG1 VAL A 33 16.285 24.711 -4.743 1.00 0.00 C ATOM 564 CG2 VAL A 33 16.185 26.280 -2.793 1.00 0.00 C ATOM 0 H VAL A 33 18.822 26.258 -2.074 1.00 0.00 H new ATOM 0 HA VAL A 33 17.342 23.856 -2.312 1.00 0.00 H new ATOM 0 HB VAL A 33 17.742 26.180 -4.242 1.00 0.00 H new ATOM 0 HG11 VAL A 33 15.666 25.405 -5.312 1.00 0.00 H new ATOM 0 HG12 VAL A 33 16.960 24.188 -5.420 1.00 0.00 H new ATOM 0 HG13 VAL A 33 15.647 23.987 -4.237 1.00 0.00 H new ATOM 0 HG21 VAL A 33 15.567 26.953 -3.388 1.00 0.00 H new ATOM 0 HG22 VAL A 33 15.544 25.598 -2.234 1.00 0.00 H new ATOM 0 HG23 VAL A 33 16.790 26.862 -2.098 1.00 0.00 H new ATOM 574 N GLU A 34 19.867 24.317 -4.402 1.00 0.00 N ATOM 575 CA GLU A 34 20.760 23.637 -5.333 1.00 0.00 C ATOM 576 C GLU A 34 21.705 22.696 -4.592 1.00 0.00 C ATOM 577 O GLU A 34 22.406 21.892 -5.206 1.00 0.00 O ATOM 578 CB GLU A 34 21.567 24.657 -6.139 1.00 0.00 C ATOM 579 CG GLU A 34 22.022 24.140 -7.493 1.00 0.00 C ATOM 580 CD GLU A 34 23.495 24.395 -7.750 1.00 0.00 C ATOM 581 OE1 GLU A 34 23.840 25.522 -8.162 1.00 0.00 O ATOM 582 OE2 GLU A 34 24.303 23.466 -7.537 1.00 0.00 O ATOM 0 H GLU A 34 20.107 25.292 -4.223 1.00 0.00 H new ATOM 0 HA GLU A 34 20.149 23.047 -6.016 1.00 0.00 H new ATOM 0 HB2 GLU A 34 20.962 25.552 -6.286 1.00 0.00 H new ATOM 0 HB3 GLU A 34 22.442 24.955 -5.561 1.00 0.00 H new ATOM 0 HG2 GLU A 34 21.827 23.069 -7.553 1.00 0.00 H new ATOM 0 HG3 GLU A 34 21.433 24.616 -8.276 1.00 0.00 H new ATOM 589 N ALA A 35 21.718 22.803 -3.267 1.00 0.00 N ATOM 590 CA ALA A 35 22.575 21.961 -2.441 1.00 0.00 C ATOM 591 C ALA A 35 22.035 20.537 -2.363 1.00 0.00 C ATOM 592 O ALA A 35 22.796 19.582 -2.210 1.00 0.00 O ATOM 593 CB ALA A 35 22.711 22.554 -1.047 1.00 0.00 C ATOM 0 H ALA A 35 21.145 23.464 -2.743 1.00 0.00 H new ATOM 0 HA ALA A 35 23.561 21.922 -2.905 1.00 0.00 H new ATOM 0 HB1 ALA A 35 23.353 21.915 -0.441 1.00 0.00 H new ATOM 0 HB2 ALA A 35 23.150 23.549 -1.116 1.00 0.00 H new ATOM 0 HB3 ALA A 35 21.727 22.623 -0.583 1.00 0.00 H new ATOM 599 N ALA A 36 20.717 20.403 -2.467 1.00 0.00 N ATOM 600 CA ALA A 36 20.075 19.095 -2.408 1.00 0.00 C ATOM 601 C ALA A 36 20.056 18.432 -3.781 1.00 0.00 C ATOM 602 O ALA A 36 20.212 19.083 -4.814 1.00 0.00 O ATOM 603 CB ALA A 36 18.661 19.225 -1.862 1.00 0.00 C ATOM 0 H ALA A 36 20.073 21.184 -2.593 1.00 0.00 H new ATOM 0 HA ALA A 36 20.655 18.462 -1.736 1.00 0.00 H new ATOM 0 HB1 ALA A 36 18.194 18.241 -1.824 1.00 0.00 H new ATOM 0 HB2 ALA A 36 18.696 19.649 -0.859 1.00 0.00 H new ATOM 0 HB3 ALA A 36 18.079 19.878 -2.512 1.00 0.00 H new ATOM 609 N PRO A 37 19.859 17.105 -3.795 1.00 0.00 N ATOM 610 CA PRO A 37 19.815 16.324 -5.035 1.00 0.00 C ATOM 611 C PRO A 37 18.566 16.617 -5.860 1.00 0.00 C ATOM 612 O PRO A 37 17.710 17.399 -5.449 1.00 0.00 O ATOM 613 CB PRO A 37 19.803 14.875 -4.542 1.00 0.00 C ATOM 614 CG PRO A 37 19.222 14.946 -3.172 1.00 0.00 C ATOM 615 CD PRO A 37 19.665 16.265 -2.602 1.00 0.00 C ATOM 0 HA PRO A 37 20.652 16.557 -5.694 1.00 0.00 H new ATOM 0 HB2 PRO A 37 19.203 14.240 -5.194 1.00 0.00 H new ATOM 0 HB3 PRO A 37 20.808 14.454 -4.524 1.00 0.00 H new ATOM 0 HG2 PRO A 37 18.134 14.881 -3.206 1.00 0.00 H new ATOM 0 HG3 PRO A 37 19.572 14.117 -2.556 1.00 0.00 H new ATOM 0 HD2 PRO A 37 18.915 16.685 -1.932 1.00 0.00 H new ATOM 0 HD3 PRO A 37 20.586 16.165 -2.027 1.00 0.00 H new ATOM 623 N GLU A 38 18.469 15.982 -7.024 1.00 0.00 N ATOM 624 CA GLU A 38 17.324 16.176 -7.905 1.00 0.00 C ATOM 625 C GLU A 38 16.028 15.764 -7.212 1.00 0.00 C ATOM 626 O GLU A 38 15.113 16.572 -7.056 1.00 0.00 O ATOM 627 CB GLU A 38 17.503 15.372 -9.195 1.00 0.00 C ATOM 628 CG GLU A 38 17.378 16.209 -10.457 1.00 0.00 C ATOM 629 CD GLU A 38 18.038 15.558 -11.657 1.00 0.00 C ATOM 630 OE1 GLU A 38 17.408 14.671 -12.271 1.00 0.00 O ATOM 631 OE2 GLU A 38 19.183 15.934 -11.981 1.00 0.00 O ATOM 0 H GLU A 38 19.169 15.330 -7.378 1.00 0.00 H new ATOM 0 HA GLU A 38 17.263 17.236 -8.151 1.00 0.00 H new ATOM 0 HB2 GLU A 38 18.482 14.894 -9.182 1.00 0.00 H new ATOM 0 HB3 GLU A 38 16.760 14.575 -9.223 1.00 0.00 H new ATOM 0 HG2 GLU A 38 16.323 16.377 -10.674 1.00 0.00 H new ATOM 0 HG3 GLU A 38 17.828 17.187 -10.286 1.00 0.00 H new ATOM 638 N GLU A 39 15.959 14.502 -6.800 1.00 0.00 N ATOM 639 CA GLU A 39 14.775 13.983 -6.125 1.00 0.00 C ATOM 640 C GLU A 39 14.356 14.901 -4.980 1.00 0.00 C ATOM 641 O GLU A 39 13.234 15.406 -4.953 1.00 0.00 O ATOM 642 CB GLU A 39 15.041 12.574 -5.593 1.00 0.00 C ATOM 643 CG GLU A 39 14.753 11.477 -6.604 1.00 0.00 C ATOM 644 CD GLU A 39 14.728 10.097 -5.977 1.00 0.00 C ATOM 645 OE1 GLU A 39 13.739 9.776 -5.286 1.00 0.00 O ATOM 646 OE2 GLU A 39 15.699 9.337 -6.178 1.00 0.00 O ATOM 0 H GLU A 39 16.708 13.821 -6.922 1.00 0.00 H new ATOM 0 HA GLU A 39 13.963 13.942 -6.851 1.00 0.00 H new ATOM 0 HB2 GLU A 39 16.083 12.504 -5.280 1.00 0.00 H new ATOM 0 HB3 GLU A 39 14.430 12.408 -4.706 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.793 11.672 -7.082 1.00 0.00 H new ATOM 0 HG3 GLU A 39 15.510 11.502 -7.387 1.00 0.00 H new ATOM 653 N THR A 40 15.266 15.111 -4.034 1.00 0.00 N ATOM 654 CA THR A 40 14.992 15.964 -2.885 1.00 0.00 C ATOM 655 C THR A 40 14.556 17.357 -3.327 1.00 0.00 C ATOM 656 O THR A 40 13.593 17.912 -2.799 1.00 0.00 O ATOM 657 CB THR A 40 16.226 16.091 -1.972 1.00 0.00 C ATOM 658 OG1 THR A 40 16.627 14.796 -1.509 1.00 0.00 O ATOM 659 CG2 THR A 40 15.929 16.991 -0.782 1.00 0.00 C ATOM 0 H THR A 40 16.200 14.701 -4.041 1.00 0.00 H new ATOM 0 HA THR A 40 14.183 15.492 -2.327 1.00 0.00 H new ATOM 0 HB THR A 40 17.035 16.537 -2.551 1.00 0.00 H new ATOM 0 HG1 THR A 40 17.413 14.884 -0.931 1.00 0.00 H new ATOM 0 HG21 THR A 40 16.815 17.065 -0.152 1.00 0.00 H new ATOM 0 HG22 THR A 40 15.652 17.984 -1.137 1.00 0.00 H new ATOM 0 HG23 THR A 40 15.107 16.570 -0.203 1.00 0.00 H new ATOM 667 N ARG A 41 15.272 17.916 -4.298 1.00 0.00 N ATOM 668 CA ARG A 41 14.958 19.244 -4.810 1.00 0.00 C ATOM 669 C ARG A 41 13.493 19.335 -5.224 1.00 0.00 C ATOM 670 O ARG A 41 12.802 20.297 -4.891 1.00 0.00 O ATOM 671 CB ARG A 41 15.858 19.580 -6.001 1.00 0.00 C ATOM 672 CG ARG A 41 17.167 20.244 -5.606 1.00 0.00 C ATOM 673 CD ARG A 41 18.087 20.418 -6.805 1.00 0.00 C ATOM 674 NE ARG A 41 18.302 21.825 -7.130 1.00 0.00 N ATOM 675 CZ ARG A 41 18.726 22.250 -8.315 1.00 0.00 C ATOM 676 NH1 ARG A 41 18.977 21.380 -9.284 1.00 0.00 N ATOM 677 NH2 ARG A 41 18.898 23.547 -8.534 1.00 0.00 N ATOM 0 H ARG A 41 16.073 17.470 -4.745 1.00 0.00 H new ATOM 0 HA ARG A 41 15.137 19.965 -4.013 1.00 0.00 H new ATOM 0 HB2 ARG A 41 16.076 18.664 -6.551 1.00 0.00 H new ATOM 0 HB3 ARG A 41 15.317 20.238 -6.680 1.00 0.00 H new ATOM 0 HG2 ARG A 41 16.962 21.217 -5.159 1.00 0.00 H new ATOM 0 HG3 ARG A 41 17.667 19.643 -4.847 1.00 0.00 H new ATOM 0 HD2 ARG A 41 19.046 19.943 -6.598 1.00 0.00 H new ATOM 0 HD3 ARG A 41 17.658 19.908 -7.668 1.00 0.00 H new ATOM 0 HE ARG A 41 18.116 22.520 -6.407 1.00 0.00 H new ATOM 0 HH11 ARG A 41 18.845 20.382 -9.120 1.00 0.00 H new ATOM 0 HH12 ARG A 41 19.302 21.709 -10.193 1.00 0.00 H new ATOM 0 HH21 ARG A 41 18.705 24.220 -7.792 1.00 0.00 H new ATOM 0 HH22 ARG A 41 19.224 23.872 -9.444 1.00 0.00 H new ATOM 691 N ALA A 42 13.026 18.328 -5.954 1.00 0.00 N ATOM 692 CA ALA A 42 11.642 18.293 -6.413 1.00 0.00 C ATOM 693 C ALA A 42 10.676 18.208 -5.236 1.00 0.00 C ATOM 694 O ALA A 42 9.682 18.933 -5.182 1.00 0.00 O ATOM 695 CB ALA A 42 11.429 17.122 -7.360 1.00 0.00 C ATOM 0 H ALA A 42 13.586 17.525 -6.241 1.00 0.00 H new ATOM 0 HA ALA A 42 11.439 19.220 -6.949 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.392 17.109 -7.694 1.00 0.00 H new ATOM 0 HB2 ALA A 42 12.087 17.227 -8.223 1.00 0.00 H new ATOM 0 HB3 ALA A 42 11.656 16.190 -6.843 1.00 0.00 H new ATOM 701 N LEU A 43 10.973 17.317 -4.297 1.00 0.00 N ATOM 702 CA LEU A 43 10.129 17.136 -3.120 1.00 0.00 C ATOM 703 C LEU A 43 10.028 18.429 -2.319 1.00 0.00 C ATOM 704 O LEU A 43 8.932 18.877 -1.979 1.00 0.00 O ATOM 705 CB LEU A 43 10.685 16.017 -2.237 1.00 0.00 C ATOM 706 CG LEU A 43 10.238 14.598 -2.590 1.00 0.00 C ATOM 707 CD1 LEU A 43 10.893 13.586 -1.663 1.00 0.00 C ATOM 708 CD2 LEU A 43 8.722 14.484 -2.521 1.00 0.00 C ATOM 0 H LEU A 43 11.791 16.709 -4.327 1.00 0.00 H new ATOM 0 HA LEU A 43 9.130 16.861 -3.458 1.00 0.00 H new ATOM 0 HB2 LEU A 43 11.774 16.055 -2.280 1.00 0.00 H new ATOM 0 HB3 LEU A 43 10.399 16.220 -1.205 1.00 0.00 H new ATOM 0 HG LEU A 43 10.553 14.382 -3.611 1.00 0.00 H new ATOM 0 HD11 LEU A 43 10.563 12.582 -1.929 1.00 0.00 H new ATOM 0 HD12 LEU A 43 11.977 13.650 -1.762 1.00 0.00 H new ATOM 0 HD13 LEU A 43 10.609 13.800 -0.632 1.00 0.00 H new ATOM 0 HD21 LEU A 43 8.422 13.468 -2.775 1.00 0.00 H new ATOM 0 HD22 LEU A 43 8.385 14.720 -1.512 1.00 0.00 H new ATOM 0 HD23 LEU A 43 8.272 15.182 -3.227 1.00 0.00 H new ATOM 720 N TYR A 44 11.176 19.026 -2.022 1.00 0.00 N ATOM 721 CA TYR A 44 11.217 20.269 -1.260 1.00 0.00 C ATOM 722 C TYR A 44 10.487 21.386 -1.999 1.00 0.00 C ATOM 723 O TYR A 44 9.584 22.020 -1.454 1.00 0.00 O ATOM 724 CB TYR A 44 12.666 20.681 -0.993 1.00 0.00 C ATOM 725 CG TYR A 44 13.367 19.806 0.022 1.00 0.00 C ATOM 726 CD1 TYR A 44 12.725 18.710 0.586 1.00 0.00 C ATOM 727 CD2 TYR A 44 14.672 20.075 0.416 1.00 0.00 C ATOM 728 CE1 TYR A 44 13.361 17.909 1.513 1.00 0.00 C ATOM 729 CE2 TYR A 44 15.317 19.278 1.342 1.00 0.00 C ATOM 730 CZ TYR A 44 14.657 18.196 1.888 1.00 0.00 C ATOM 731 OH TYR A 44 15.295 17.400 2.811 1.00 0.00 O ATOM 0 H TYR A 44 12.091 18.670 -2.297 1.00 0.00 H new ATOM 0 HA TYR A 44 10.714 20.098 -0.308 1.00 0.00 H new ATOM 0 HB2 TYR A 44 13.222 20.652 -1.930 1.00 0.00 H new ATOM 0 HB3 TYR A 44 12.683 21.713 -0.644 1.00 0.00 H new ATOM 0 HD1 TYR A 44 11.711 18.481 0.294 1.00 0.00 H new ATOM 0 HD2 TYR A 44 15.191 20.922 -0.009 1.00 0.00 H new ATOM 0 HE1 TYR A 44 12.847 17.062 1.942 1.00 0.00 H new ATOM 0 HE2 TYR A 44 16.332 19.500 1.637 1.00 0.00 H new ATOM 0 HH TYR A 44 16.202 17.738 2.964 1.00 0.00 H new ATOM 741 N ARG A 45 10.886 21.621 -3.245 1.00 0.00 N ATOM 742 CA ARG A 45 10.272 22.661 -4.061 1.00 0.00 C ATOM 743 C ARG A 45 8.782 22.393 -4.252 1.00 0.00 C ATOM 744 O ARG A 45 8.000 23.316 -4.480 1.00 0.00 O ATOM 745 CB ARG A 45 10.964 22.746 -5.423 1.00 0.00 C ATOM 746 CG ARG A 45 12.210 23.617 -5.419 1.00 0.00 C ATOM 747 CD ARG A 45 12.165 24.659 -6.525 1.00 0.00 C ATOM 748 NE ARG A 45 11.155 25.683 -6.272 1.00 0.00 N ATOM 749 CZ ARG A 45 11.081 26.824 -6.948 1.00 0.00 C ATOM 750 NH1 ARG A 45 11.951 27.086 -7.912 1.00 0.00 N ATOM 751 NH2 ARG A 45 10.133 27.707 -6.659 1.00 0.00 N ATOM 0 H ARG A 45 11.632 21.105 -3.711 1.00 0.00 H new ATOM 0 HA ARG A 45 10.389 23.612 -3.541 1.00 0.00 H new ATOM 0 HB2 ARG A 45 11.234 21.741 -5.747 1.00 0.00 H new ATOM 0 HB3 ARG A 45 10.259 23.138 -6.156 1.00 0.00 H new ATOM 0 HG2 ARG A 45 12.305 24.114 -4.453 1.00 0.00 H new ATOM 0 HG3 ARG A 45 13.093 22.991 -5.543 1.00 0.00 H new ATOM 0 HD2 ARG A 45 13.143 25.130 -6.619 1.00 0.00 H new ATOM 0 HD3 ARG A 45 11.954 24.169 -7.476 1.00 0.00 H new ATOM 0 HE ARG A 45 10.469 25.513 -5.536 1.00 0.00 H new ATOM 0 HH11 ARG A 45 12.681 26.410 -8.138 1.00 0.00 H new ATOM 0 HH12 ARG A 45 11.891 27.963 -8.429 1.00 0.00 H new ATOM 0 HH21 ARG A 45 9.461 27.509 -5.918 1.00 0.00 H new ATOM 0 HH22 ARG A 45 10.077 28.583 -7.178 1.00 0.00 H new ATOM 765 N GLU A 46 8.397 21.124 -4.156 1.00 0.00 N ATOM 766 CA GLU A 46 7.001 20.736 -4.320 1.00 0.00 C ATOM 767 C GLU A 46 6.164 21.200 -3.131 1.00 0.00 C ATOM 768 O GLU A 46 5.214 21.967 -3.289 1.00 0.00 O ATOM 769 CB GLU A 46 6.886 19.218 -4.477 1.00 0.00 C ATOM 770 CG GLU A 46 5.452 18.721 -4.549 1.00 0.00 C ATOM 771 CD GLU A 46 5.359 17.207 -4.559 1.00 0.00 C ATOM 772 OE1 GLU A 46 6.319 16.551 -4.106 1.00 0.00 O ATOM 773 OE2 GLU A 46 4.324 16.680 -5.019 1.00 0.00 O ATOM 0 H GLU A 46 9.031 20.348 -3.966 1.00 0.00 H new ATOM 0 HA GLU A 46 6.620 21.218 -5.221 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.413 18.914 -5.381 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.387 18.735 -3.638 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.893 19.110 -3.698 1.00 0.00 H new ATOM 0 HG3 GLU A 46 4.979 19.116 -5.448 1.00 0.00 H new ATOM 780 N TYR A 47 6.524 20.730 -1.942 1.00 0.00 N ATOM 781 CA TYR A 47 5.805 21.094 -0.727 1.00 0.00 C ATOM 782 C TYR A 47 6.017 22.567 -0.390 1.00 0.00 C ATOM 783 O TYR A 47 5.180 23.192 0.262 1.00 0.00 O ATOM 784 CB TYR A 47 6.263 20.221 0.442 1.00 0.00 C ATOM 785 CG TYR A 47 5.231 20.089 1.540 1.00 0.00 C ATOM 786 CD1 TYR A 47 4.222 19.137 1.461 1.00 0.00 C ATOM 787 CD2 TYR A 47 5.265 20.917 2.655 1.00 0.00 C ATOM 788 CE1 TYR A 47 3.277 19.014 2.461 1.00 0.00 C ATOM 789 CE2 TYR A 47 4.325 20.800 3.660 1.00 0.00 C ATOM 790 CZ TYR A 47 3.333 19.847 3.559 1.00 0.00 C ATOM 791 OH TYR A 47 2.394 19.728 4.558 1.00 0.00 O ATOM 0 H TYR A 47 7.309 20.096 -1.794 1.00 0.00 H new ATOM 0 HA TYR A 47 4.742 20.929 -0.900 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.512 19.228 0.067 1.00 0.00 H new ATOM 0 HB3 TYR A 47 7.177 20.641 0.862 1.00 0.00 H new ATOM 0 HD1 TYR A 47 4.176 18.482 0.603 1.00 0.00 H new ATOM 0 HD2 TYR A 47 6.040 21.665 2.737 1.00 0.00 H new ATOM 0 HE1 TYR A 47 2.498 18.270 2.384 1.00 0.00 H new ATOM 0 HE2 TYR A 47 4.366 21.451 4.521 1.00 0.00 H new ATOM 0 HH TYR A 47 2.577 20.388 5.259 1.00 0.00 H new ATOM 801 N ARG A 48 7.141 23.114 -0.838 1.00 0.00 N ATOM 802 CA ARG A 48 7.465 24.513 -0.584 1.00 0.00 C ATOM 803 C ARG A 48 6.627 25.434 -1.467 1.00 0.00 C ATOM 804 O ARG A 48 6.118 26.457 -1.009 1.00 0.00 O ATOM 805 CB ARG A 48 8.953 24.768 -0.832 1.00 0.00 C ATOM 806 CG ARG A 48 9.377 26.204 -0.570 1.00 0.00 C ATOM 807 CD ARG A 48 10.191 26.320 0.709 1.00 0.00 C ATOM 808 NE ARG A 48 9.563 25.615 1.824 1.00 0.00 N ATOM 809 CZ ARG A 48 8.575 26.123 2.552 1.00 0.00 C ATOM 810 NH1 ARG A 48 8.105 27.333 2.284 1.00 0.00 N ATOM 811 NH2 ARG A 48 8.055 25.420 3.550 1.00 0.00 N ATOM 0 H ARG A 48 7.844 22.610 -1.379 1.00 0.00 H new ATOM 0 HA ARG A 48 7.235 24.729 0.459 1.00 0.00 H new ATOM 0 HB2 ARG A 48 9.538 24.104 -0.196 1.00 0.00 H new ATOM 0 HB3 ARG A 48 9.190 24.511 -1.864 1.00 0.00 H new ATOM 0 HG2 ARG A 48 9.965 26.570 -1.411 1.00 0.00 H new ATOM 0 HG3 ARG A 48 8.493 26.838 -0.499 1.00 0.00 H new ATOM 0 HD2 ARG A 48 11.189 25.916 0.541 1.00 0.00 H new ATOM 0 HD3 ARG A 48 10.312 27.372 0.967 1.00 0.00 H new ATOM 0 HE ARG A 48 9.902 24.681 2.056 1.00 0.00 H new ATOM 0 HH11 ARG A 48 8.502 27.876 1.517 1.00 0.00 H new ATOM 0 HH12 ARG A 48 7.346 27.721 2.844 1.00 0.00 H new ATOM 0 HH21 ARG A 48 8.414 24.488 3.759 1.00 0.00 H new ATOM 0 HH22 ARG A 48 7.296 25.811 4.108 1.00 0.00 H new ATOM 825 N THR A 49 6.487 25.063 -2.736 1.00 0.00 N ATOM 826 CA THR A 49 5.713 25.855 -3.683 1.00 0.00 C ATOM 827 C THR A 49 4.219 25.740 -3.404 1.00 0.00 C ATOM 828 O THR A 49 3.471 26.706 -3.559 1.00 0.00 O ATOM 829 CB THR A 49 5.988 25.421 -5.135 1.00 0.00 C ATOM 830 OG1 THR A 49 7.367 25.634 -5.457 1.00 0.00 O ATOM 831 CG2 THR A 49 5.110 26.196 -6.107 1.00 0.00 C ATOM 0 H THR A 49 6.900 24.218 -3.131 1.00 0.00 H new ATOM 0 HA THR A 49 6.024 26.892 -3.557 1.00 0.00 H new ATOM 0 HB THR A 49 5.754 24.360 -5.224 1.00 0.00 H new ATOM 0 HG1 THR A 49 7.854 24.786 -5.388 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.322 25.872 -7.126 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.061 26.009 -5.878 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.318 27.262 -6.014 1.00 0.00 H new ATOM 839 N LEU A 50 3.789 24.552 -2.992 1.00 0.00 N ATOM 840 CA LEU A 50 2.382 24.310 -2.690 1.00 0.00 C ATOM 841 C LEU A 50 1.985 24.975 -1.376 1.00 0.00 C ATOM 842 O LEU A 50 0.910 25.565 -1.265 1.00 0.00 O ATOM 843 CB LEU A 50 2.107 22.807 -2.618 1.00 0.00 C ATOM 844 CG LEU A 50 1.542 22.167 -3.887 1.00 0.00 C ATOM 845 CD1 LEU A 50 2.553 21.210 -4.498 1.00 0.00 C ATOM 846 CD2 LEU A 50 0.236 21.446 -3.584 1.00 0.00 C ATOM 0 H LEU A 50 4.394 23.742 -2.859 1.00 0.00 H new ATOM 0 HA LEU A 50 1.784 24.745 -3.491 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.037 22.299 -2.362 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.409 22.624 -1.801 1.00 0.00 H new ATOM 0 HG LEU A 50 1.338 22.957 -4.610 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.133 20.764 -5.400 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.462 21.755 -4.752 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.789 20.424 -3.781 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.152 20.997 -4.498 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.414 20.666 -2.843 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.491 22.158 -3.193 1.00 0.00 H new ATOM 858 N LYS A 51 2.861 24.876 -0.381 1.00 0.00 N ATOM 859 CA LYS A 51 2.604 25.470 0.926 1.00 0.00 C ATOM 860 C LYS A 51 2.690 26.992 0.858 1.00 0.00 C ATOM 861 O LYS A 51 1.883 27.696 1.464 1.00 0.00 O ATOM 862 CB LYS A 51 3.603 24.938 1.956 1.00 0.00 C ATOM 863 CG LYS A 51 3.315 25.394 3.375 1.00 0.00 C ATOM 864 CD LYS A 51 4.589 25.786 4.105 1.00 0.00 C ATOM 865 CE LYS A 51 4.407 25.730 5.614 1.00 0.00 C ATOM 866 NZ LYS A 51 3.723 26.945 6.136 1.00 0.00 N ATOM 0 H LYS A 51 3.755 24.390 -0.455 1.00 0.00 H new ATOM 0 HA LYS A 51 1.595 25.194 1.231 1.00 0.00 H new ATOM 0 HB2 LYS A 51 3.598 23.848 1.925 1.00 0.00 H new ATOM 0 HB3 LYS A 51 4.606 25.260 1.677 1.00 0.00 H new ATOM 0 HG2 LYS A 51 2.631 26.243 3.354 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.814 24.594 3.920 1.00 0.00 H new ATOM 0 HD2 LYS A 51 5.399 25.118 3.810 1.00 0.00 H new ATOM 0 HD3 LYS A 51 4.883 26.793 3.810 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.827 24.846 5.877 1.00 0.00 H new ATOM 0 HE3 LYS A 51 5.380 25.627 6.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 3.618 26.868 7.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.289 27.787 5.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.784 27.030 5.698 1.00 0.00 H new ATOM 880 N ARG A 52 3.673 27.492 0.117 1.00 0.00 N ATOM 881 CA ARG A 52 3.864 28.930 -0.030 1.00 0.00 C ATOM 882 C ARG A 52 2.731 29.548 -0.844 1.00 0.00 C ATOM 883 O ARG A 52 2.139 30.551 -0.444 1.00 0.00 O ATOM 884 CB ARG A 52 5.207 29.222 -0.701 1.00 0.00 C ATOM 885 CG ARG A 52 6.400 29.059 0.227 1.00 0.00 C ATOM 886 CD ARG A 52 6.565 30.265 1.139 1.00 0.00 C ATOM 887 NE ARG A 52 6.734 31.503 0.383 1.00 0.00 N ATOM 888 CZ ARG A 52 6.811 32.704 0.946 1.00 0.00 C ATOM 889 NH1 ARG A 52 6.733 32.828 2.264 1.00 0.00 N ATOM 890 NH2 ARG A 52 6.965 33.784 0.191 1.00 0.00 N ATOM 0 H ARG A 52 4.350 26.923 -0.391 1.00 0.00 H new ATOM 0 HA ARG A 52 3.859 29.376 0.965 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.329 28.557 -1.556 1.00 0.00 H new ATOM 0 HB3 ARG A 52 5.196 30.241 -1.089 1.00 0.00 H new ATOM 0 HG2 ARG A 52 6.273 28.160 0.830 1.00 0.00 H new ATOM 0 HG3 ARG A 52 7.306 28.921 -0.364 1.00 0.00 H new ATOM 0 HD2 ARG A 52 5.693 30.352 1.787 1.00 0.00 H new ATOM 0 HD3 ARG A 52 7.429 30.115 1.786 1.00 0.00 H new ATOM 0 HE ARG A 52 6.796 31.442 -0.633 1.00 0.00 H new ATOM 0 HH11 ARG A 52 6.614 32.000 2.848 1.00 0.00 H new ATOM 0 HH12 ARG A 52 6.792 33.751 2.694 1.00 0.00 H new ATOM 0 HH21 ARG A 52 7.024 33.693 -0.823 1.00 0.00 H new ATOM 0 HH22 ARG A 52 7.024 34.705 0.625 1.00 0.00 H new ATOM 904 N THR A 53 2.435 28.943 -1.991 1.00 0.00 N ATOM 905 CA THR A 53 1.375 29.435 -2.862 1.00 0.00 C ATOM 906 C THR A 53 0.014 29.338 -2.182 1.00 0.00 C ATOM 907 O THR A 53 -0.720 30.323 -2.094 1.00 0.00 O ATOM 908 CB THR A 53 1.330 28.652 -4.188 1.00 0.00 C ATOM 909 OG1 THR A 53 2.579 28.782 -4.876 1.00 0.00 O ATOM 910 CG2 THR A 53 0.202 29.156 -5.076 1.00 0.00 C ATOM 0 H THR A 53 2.914 28.112 -2.338 1.00 0.00 H new ATOM 0 HA THR A 53 1.599 30.481 -3.072 1.00 0.00 H new ATOM 0 HB THR A 53 1.149 27.602 -3.958 1.00 0.00 H new ATOM 0 HG1 THR A 53 3.153 28.018 -4.659 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.190 28.588 -6.006 1.00 0.00 H new ATOM 0 HG22 THR A 53 -0.750 29.029 -4.561 1.00 0.00 H new ATOM 0 HG23 THR A 53 0.357 30.212 -5.297 1.00 0.00 H new ATOM 918 N THR A 54 -0.318 28.144 -1.700 1.00 0.00 N ATOM 919 CA THR A 54 -1.591 27.919 -1.028 1.00 0.00 C ATOM 920 C THR A 54 -1.676 28.715 0.270 1.00 0.00 C ATOM 921 O THR A 54 -2.569 29.543 0.444 1.00 0.00 O ATOM 922 CB THR A 54 -1.805 26.426 -0.716 1.00 0.00 C ATOM 923 OG1 THR A 54 -1.804 25.666 -1.930 1.00 0.00 O ATOM 924 CG2 THR A 54 -3.117 26.209 0.023 1.00 0.00 C ATOM 0 H THR A 54 0.278 27.318 -1.763 1.00 0.00 H new ATOM 0 HA THR A 54 -2.372 28.256 -1.710 1.00 0.00 H new ATOM 0 HB THR A 54 -0.987 26.091 -0.078 1.00 0.00 H new ATOM 0 HG1 THR A 54 -0.892 25.369 -2.129 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.245 25.147 0.232 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.103 26.764 0.961 1.00 0.00 H new ATOM 0 HG23 THR A 54 -3.944 26.560 -0.594 1.00 0.00 H new ATOM 932 N GLY A 55 -0.740 28.458 1.178 1.00 0.00 N ATOM 933 CA GLY A 55 -0.727 29.160 2.449 1.00 0.00 C ATOM 934 C GLY A 55 -1.302 28.327 3.577 1.00 0.00 C ATOM 935 O GLY A 55 -1.703 28.863 4.610 1.00 0.00 O ATOM 0 H GLY A 55 0.009 27.777 1.057 1.00 0.00 H new ATOM 0 HA2 GLY A 55 0.297 29.441 2.695 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -1.298 30.084 2.356 1.00 0.00 H new ATOM 939 N GLN A 56 -1.342 27.013 3.379 1.00 0.00 N ATOM 940 CA GLN A 56 -1.874 26.105 4.389 1.00 0.00 C ATOM 941 C GLN A 56 -0.775 25.648 5.343 1.00 0.00 C ATOM 942 O GLN A 56 -1.045 25.281 6.487 1.00 0.00 O ATOM 943 CB GLN A 56 -2.524 24.892 3.722 1.00 0.00 C ATOM 944 CG GLN A 56 -3.366 24.055 4.671 1.00 0.00 C ATOM 945 CD GLN A 56 -4.666 23.592 4.043 1.00 0.00 C ATOM 946 OE1 GLN A 56 -4.782 22.450 3.597 1.00 0.00 O ATOM 947 NE2 GLN A 56 -5.655 24.478 4.006 1.00 0.00 N ATOM 0 H GLN A 56 -1.013 26.554 2.530 1.00 0.00 H new ATOM 0 HA GLN A 56 -2.628 26.642 4.964 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -3.151 25.233 2.898 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -1.745 24.264 3.291 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -2.791 23.186 4.990 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -3.586 24.638 5.566 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -5.516 25.414 4.387 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -6.554 24.222 3.596 1.00 0.00 H new TER 956 GLN A 56