USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 509 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 NoAdj-H: A 34 HIS HE2 : A 34 HIS NE2 : A 57 ZNZN :(H bumps) USER MOD Set 1.1: A 28 TYR OH : rot 180:sc= -0.063 USER MOD Set 1.2: B 494 A O2' : rot 130:sc= -0.793! USER MOD Single : A 1 ALA N :NH3+ -102:sc= 0.114 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= -0.0152 X(o=-0.015,f=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.016 X(o=-0.016,f=0) USER MOD Single : A 12 GLN : amide:sc= -0.0149 X(o=-0.015,f=-0.038) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 GLN : amide:sc= -0.0172 X(o=-0.017,f=-0.0011) USER MOD Single : A 30 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0216) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -107:sc= 0.563 (180deg=-0.007) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -137:sc= -0.999! (180deg=-2.86!) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 53 THR OG1 : rot 20:sc= 0.28 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : B 493 A O2' : rot -22:sc= 0.473 USER MOD Single : B 495 C O2' : rot -104:sc= 1 USER MOD Single : B 496 A O2' : rot -22:sc= 0.485 USER MOD Single : B 497 G O2' : rot -27:sc= -1.17! USER MOD Single : B 498 U O2' : rot -24:sc= 0.446 USER MOD Single : B 498 U O3' : rot 180:sc= 0.301 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 37.412 16.379 -12.522 1.00 0.00 N ATOM 2 CA ALA A 1 38.283 16.769 -13.617 1.00 0.00 C ATOM 3 C ALA A 1 39.311 15.663 -13.865 1.00 0.00 C ATOM 4 O ALA A 1 39.584 14.855 -12.978 1.00 0.00 O ATOM 5 CB ALA A 1 38.941 18.113 -13.294 1.00 0.00 C ATOM 0 H1 ALA A 1 36.504 16.045 -12.903 1.00 0.00 H new ATOM 0 H2 ALA A 1 37.860 15.615 -11.977 1.00 0.00 H new ATOM 0 H3 ALA A 1 37.247 17.197 -11.901 1.00 0.00 H new ATOM 0 HA ALA A 1 37.709 16.899 -14.535 1.00 0.00 H new ATOM 0 HB1 ALA A 1 39.594 18.405 -14.116 1.00 0.00 H new ATOM 0 HB2 ALA A 1 38.170 18.871 -13.156 1.00 0.00 H new ATOM 0 HB3 ALA A 1 39.527 18.021 -12.380 1.00 0.00 H new ATOM 11 N THR A 2 39.852 15.661 -15.074 1.00 0.00 N ATOM 12 CA THR A 2 40.843 14.668 -15.450 1.00 0.00 C ATOM 13 C THR A 2 40.248 13.261 -15.362 1.00 0.00 C ATOM 14 O THR A 2 39.899 12.797 -14.277 1.00 0.00 O ATOM 15 CB THR A 2 42.071 14.865 -14.559 1.00 0.00 C ATOM 16 OG1 THR A 2 42.632 16.095 -15.007 1.00 0.00 O ATOM 17 CG2 THR A 2 43.167 13.833 -14.837 1.00 0.00 C ATOM 0 H THR A 2 39.622 16.332 -15.807 1.00 0.00 H new ATOM 0 HA THR A 2 41.153 14.792 -16.488 1.00 0.00 H new ATOM 0 HB THR A 2 41.773 14.806 -13.512 1.00 0.00 H new ATOM 0 HG1 THR A 2 43.433 16.300 -14.481 1.00 0.00 H new ATOM 0 HG21 THR A 2 44.016 14.017 -14.178 1.00 0.00 H new ATOM 0 HG22 THR A 2 42.778 12.831 -14.656 1.00 0.00 H new ATOM 0 HG23 THR A 2 43.489 13.915 -15.875 1.00 0.00 H new ATOM 25 N VAL A 3 40.149 12.621 -16.518 1.00 0.00 N ATOM 26 CA VAL A 3 39.602 11.276 -16.585 1.00 0.00 C ATOM 27 C VAL A 3 40.158 10.565 -17.819 1.00 0.00 C ATOM 28 O VAL A 3 40.295 11.171 -18.881 1.00 0.00 O ATOM 29 CB VAL A 3 38.074 11.333 -16.565 1.00 0.00 C ATOM 30 CG1 VAL A 3 37.532 11.974 -17.844 1.00 0.00 C ATOM 31 CG2 VAL A 3 37.476 9.940 -16.354 1.00 0.00 C ATOM 0 H VAL A 3 40.438 13.009 -17.416 1.00 0.00 H new ATOM 0 HA VAL A 3 39.904 10.696 -15.713 1.00 0.00 H new ATOM 0 HB VAL A 3 37.773 11.958 -15.724 1.00 0.00 H new ATOM 0 HG11 VAL A 3 36.443 12.002 -17.804 1.00 0.00 H new ATOM 0 HG12 VAL A 3 37.918 12.989 -17.934 1.00 0.00 H new ATOM 0 HG13 VAL A 3 37.848 11.388 -18.707 1.00 0.00 H new ATOM 0 HG21 VAL A 3 36.388 10.009 -16.344 1.00 0.00 H new ATOM 0 HG22 VAL A 3 37.790 9.282 -17.164 1.00 0.00 H new ATOM 0 HG23 VAL A 3 37.823 9.535 -15.403 1.00 0.00 H new ATOM 41 N VAL A 4 40.466 9.289 -17.640 1.00 0.00 N ATOM 42 CA VAL A 4 41.004 8.488 -18.727 1.00 0.00 C ATOM 43 C VAL A 4 40.477 7.057 -18.610 1.00 0.00 C ATOM 44 O VAL A 4 40.181 6.588 -17.512 1.00 0.00 O ATOM 45 CB VAL A 4 42.532 8.565 -18.724 1.00 0.00 C ATOM 46 CG1 VAL A 4 43.010 9.995 -18.980 1.00 0.00 C ATOM 47 CG2 VAL A 4 43.106 8.020 -17.415 1.00 0.00 C ATOM 0 H VAL A 4 40.353 8.789 -16.758 1.00 0.00 H new ATOM 0 HA VAL A 4 40.673 8.877 -19.690 1.00 0.00 H new ATOM 0 HB VAL A 4 42.900 7.939 -19.537 1.00 0.00 H new ATOM 0 HG11 VAL A 4 44.100 10.021 -18.973 1.00 0.00 H new ATOM 0 HG12 VAL A 4 42.645 10.332 -19.950 1.00 0.00 H new ATOM 0 HG13 VAL A 4 42.626 10.652 -18.200 1.00 0.00 H new ATOM 0 HG21 VAL A 4 44.194 8.086 -17.439 1.00 0.00 H new ATOM 0 HG22 VAL A 4 42.725 8.606 -16.579 1.00 0.00 H new ATOM 0 HG23 VAL A 4 42.809 6.978 -17.293 1.00 0.00 H new ATOM 57 N SER A 5 40.374 6.402 -19.757 1.00 0.00 N ATOM 58 CA SER A 5 39.888 5.034 -19.797 1.00 0.00 C ATOM 59 C SER A 5 39.839 4.538 -21.244 1.00 0.00 C ATOM 60 O SER A 5 40.010 5.320 -22.178 1.00 0.00 O ATOM 61 CB SER A 5 38.504 4.922 -19.152 1.00 0.00 C ATOM 62 OG SER A 5 37.604 5.909 -19.647 1.00 0.00 O ATOM 0 H SER A 5 40.619 6.794 -20.666 1.00 0.00 H new ATOM 0 HA SER A 5 40.577 4.410 -19.228 1.00 0.00 H new ATOM 0 HB2 SER A 5 38.095 3.930 -19.342 1.00 0.00 H new ATOM 0 HB3 SER A 5 38.598 5.026 -18.071 1.00 0.00 H new ATOM 0 HG SER A 5 36.732 5.804 -19.213 1.00 0.00 H new ATOM 68 N GLY A 6 39.606 3.241 -21.384 1.00 0.00 N ATOM 69 CA GLY A 6 39.533 2.631 -22.700 1.00 0.00 C ATOM 70 C GLY A 6 39.207 1.140 -22.597 1.00 0.00 C ATOM 71 O GLY A 6 39.518 0.502 -21.593 1.00 0.00 O ATOM 0 H GLY A 6 39.465 2.596 -20.607 1.00 0.00 H new ATOM 0 HA2 GLY A 6 38.770 3.133 -23.295 1.00 0.00 H new ATOM 0 HA3 GLY A 6 40.482 2.764 -23.219 1.00 0.00 H new ATOM 75 N GLN A 7 38.585 0.629 -23.649 1.00 0.00 N ATOM 76 CA GLN A 7 38.213 -0.775 -23.689 1.00 0.00 C ATOM 77 C GLN A 7 37.480 -1.093 -24.995 1.00 0.00 C ATOM 78 O GLN A 7 36.702 -0.278 -25.488 1.00 0.00 O ATOM 79 CB GLN A 7 37.360 -1.151 -22.477 1.00 0.00 C ATOM 80 CG GLN A 7 37.813 -2.486 -21.881 1.00 0.00 C ATOM 81 CD GLN A 7 36.750 -3.053 -20.936 1.00 0.00 C ATOM 82 OE1 GLN A 7 35.665 -3.436 -21.340 1.00 0.00 O ATOM 83 NE2 GLN A 7 37.123 -3.085 -19.661 1.00 0.00 N ATOM 0 H GLN A 7 38.329 1.162 -24.480 1.00 0.00 H new ATOM 0 HA GLN A 7 39.124 -1.373 -23.651 1.00 0.00 H new ATOM 0 HB2 GLN A 7 37.430 -0.369 -21.721 1.00 0.00 H new ATOM 0 HB3 GLN A 7 36.313 -1.217 -22.771 1.00 0.00 H new ATOM 0 HG2 GLN A 7 38.010 -3.198 -22.682 1.00 0.00 H new ATOM 0 HG3 GLN A 7 38.749 -2.348 -21.340 1.00 0.00 H new ATOM 0 HE21 GLN A 7 38.047 -2.748 -19.391 1.00 0.00 H new ATOM 0 HE22 GLN A 7 36.485 -3.447 -18.952 1.00 0.00 H new ATOM 92 N LYS A 8 37.756 -2.279 -25.517 1.00 0.00 N ATOM 93 CA LYS A 8 37.133 -2.714 -26.756 1.00 0.00 C ATOM 94 C LYS A 8 36.744 -4.189 -26.634 1.00 0.00 C ATOM 95 O LYS A 8 37.601 -5.045 -26.421 1.00 0.00 O ATOM 96 CB LYS A 8 38.043 -2.414 -27.948 1.00 0.00 C ATOM 97 CG LYS A 8 38.124 -0.909 -28.210 1.00 0.00 C ATOM 98 CD LYS A 8 39.385 -0.310 -27.583 1.00 0.00 C ATOM 99 CE LYS A 8 40.284 0.317 -28.650 1.00 0.00 C ATOM 100 NZ LYS A 8 40.150 1.791 -28.640 1.00 0.00 N ATOM 0 H LYS A 8 38.402 -2.952 -25.105 1.00 0.00 H new ATOM 0 HA LYS A 8 36.215 -2.155 -26.938 1.00 0.00 H new ATOM 0 HB2 LYS A 8 39.041 -2.808 -27.756 1.00 0.00 H new ATOM 0 HB3 LYS A 8 37.665 -2.922 -28.836 1.00 0.00 H new ATOM 0 HG2 LYS A 8 38.124 -0.723 -29.284 1.00 0.00 H new ATOM 0 HG3 LYS A 8 37.241 -0.417 -27.801 1.00 0.00 H new ATOM 0 HD2 LYS A 8 39.106 0.445 -26.848 1.00 0.00 H new ATOM 0 HD3 LYS A 8 39.934 -1.086 -27.050 1.00 0.00 H new ATOM 0 HE2 LYS A 8 41.322 0.039 -28.468 1.00 0.00 H new ATOM 0 HE3 LYS A 8 40.017 -0.072 -29.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 40.767 2.201 -29.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 39.162 2.051 -28.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 40.427 2.158 -27.707 1.00 0.00 H new ATOM 114 N GLN A 9 35.451 -4.440 -26.776 1.00 0.00 N ATOM 115 CA GLN A 9 34.938 -5.798 -26.686 1.00 0.00 C ATOM 116 C GLN A 9 33.489 -5.851 -27.174 1.00 0.00 C ATOM 117 O GLN A 9 32.741 -4.887 -27.015 1.00 0.00 O ATOM 118 CB GLN A 9 35.056 -6.333 -25.258 1.00 0.00 C ATOM 119 CG GLN A 9 35.196 -7.857 -25.254 1.00 0.00 C ATOM 120 CD GLN A 9 34.823 -8.439 -23.889 1.00 0.00 C ATOM 121 OE1 GLN A 9 35.455 -8.174 -22.879 1.00 0.00 O ATOM 122 NE2 GLN A 9 33.766 -9.243 -23.915 1.00 0.00 N ATOM 0 H GLN A 9 34.743 -3.727 -26.953 1.00 0.00 H new ATOM 0 HA GLN A 9 35.541 -6.438 -27.330 1.00 0.00 H new ATOM 0 HB2 GLN A 9 35.919 -5.883 -24.767 1.00 0.00 H new ATOM 0 HB3 GLN A 9 34.176 -6.043 -24.683 1.00 0.00 H new ATOM 0 HG2 GLN A 9 34.555 -8.287 -26.024 1.00 0.00 H new ATOM 0 HG3 GLN A 9 36.221 -8.132 -25.503 1.00 0.00 H new ATOM 0 HE21 GLN A 9 33.283 -9.422 -24.795 1.00 0.00 H new ATOM 0 HE22 GLN A 9 33.437 -9.681 -23.055 1.00 0.00 H new ATOM 131 N ASP A 10 33.137 -6.987 -27.758 1.00 0.00 N ATOM 132 CA ASP A 10 31.791 -7.178 -28.271 1.00 0.00 C ATOM 133 C ASP A 10 31.699 -8.544 -28.954 1.00 0.00 C ATOM 134 O ASP A 10 32.720 -9.169 -29.240 1.00 0.00 O ATOM 135 CB ASP A 10 31.437 -6.108 -29.306 1.00 0.00 C ATOM 136 CG ASP A 10 29.949 -5.766 -29.401 1.00 0.00 C ATOM 137 OD1 ASP A 10 29.275 -5.870 -28.353 1.00 0.00 O ATOM 138 OD2 ASP A 10 29.519 -5.409 -30.519 1.00 0.00 O ATOM 0 H ASP A 10 33.760 -7.784 -27.887 1.00 0.00 H new ATOM 0 HA ASP A 10 31.099 -7.110 -27.432 1.00 0.00 H new ATOM 0 HB2 ASP A 10 31.989 -5.198 -29.069 1.00 0.00 H new ATOM 0 HB3 ASP A 10 31.780 -6.443 -30.285 1.00 0.00 H new ATOM 143 N ARG A 11 30.467 -8.968 -29.195 1.00 0.00 N ATOM 144 CA ARG A 11 30.229 -10.249 -29.839 1.00 0.00 C ATOM 145 C ARG A 11 30.679 -11.393 -28.928 1.00 0.00 C ATOM 146 O ARG A 11 31.602 -11.230 -28.130 1.00 0.00 O ATOM 147 CB ARG A 11 30.977 -10.343 -31.171 1.00 0.00 C ATOM 148 CG ARG A 11 30.032 -10.095 -32.348 1.00 0.00 C ATOM 149 CD ARG A 11 29.204 -11.344 -32.660 1.00 0.00 C ATOM 150 NE ARG A 11 29.896 -12.170 -33.674 1.00 0.00 N ATOM 151 CZ ARG A 11 29.359 -13.250 -34.258 1.00 0.00 C ATOM 152 NH1 ARG A 11 28.120 -13.640 -33.932 1.00 0.00 N ATOM 153 NH2 ARG A 11 30.061 -13.938 -35.168 1.00 0.00 N ATOM 0 H ARG A 11 29.623 -8.447 -28.956 1.00 0.00 H new ATOM 0 HA ARG A 11 29.159 -10.331 -30.029 1.00 0.00 H new ATOM 0 HB2 ARG A 11 31.787 -9.614 -31.190 1.00 0.00 H new ATOM 0 HB3 ARG A 11 31.433 -11.328 -31.267 1.00 0.00 H new ATOM 0 HG2 ARG A 11 29.368 -9.263 -32.116 1.00 0.00 H new ATOM 0 HG3 ARG A 11 30.608 -9.808 -33.227 1.00 0.00 H new ATOM 0 HD2 ARG A 11 29.049 -11.924 -31.750 1.00 0.00 H new ATOM 0 HD3 ARG A 11 28.219 -11.055 -33.025 1.00 0.00 H new ATOM 0 HE ARG A 11 30.841 -11.900 -33.946 1.00 0.00 H new ATOM 0 HH11 ARG A 11 27.586 -13.115 -33.240 1.00 0.00 H new ATOM 0 HH12 ARG A 11 27.711 -14.462 -34.376 1.00 0.00 H new ATOM 0 HH21 ARG A 11 31.004 -13.640 -35.416 1.00 0.00 H new ATOM 0 HH22 ARG A 11 29.652 -14.760 -35.612 1.00 0.00 H new ATOM 167 N GLN A 12 30.006 -12.524 -29.076 1.00 0.00 N ATOM 168 CA GLN A 12 30.325 -13.695 -28.276 1.00 0.00 C ATOM 169 C GLN A 12 30.649 -14.884 -29.182 1.00 0.00 C ATOM 170 O GLN A 12 31.740 -15.449 -29.105 1.00 0.00 O ATOM 171 CB GLN A 12 29.180 -14.032 -27.318 1.00 0.00 C ATOM 172 CG GLN A 12 29.609 -15.098 -26.306 1.00 0.00 C ATOM 173 CD GLN A 12 30.377 -14.470 -25.141 1.00 0.00 C ATOM 174 OE1 GLN A 12 29.869 -13.643 -24.402 1.00 0.00 O ATOM 175 NE2 GLN A 12 31.628 -14.907 -25.019 1.00 0.00 N ATOM 0 H GLN A 12 29.241 -12.655 -29.738 1.00 0.00 H new ATOM 0 HA GLN A 12 31.206 -13.471 -27.674 1.00 0.00 H new ATOM 0 HB2 GLN A 12 28.864 -13.131 -26.791 1.00 0.00 H new ATOM 0 HB3 GLN A 12 28.320 -14.388 -27.885 1.00 0.00 H new ATOM 0 HG2 GLN A 12 28.730 -15.620 -25.928 1.00 0.00 H new ATOM 0 HG3 GLN A 12 30.234 -15.842 -26.799 1.00 0.00 H new ATOM 0 HE21 GLN A 12 31.992 -15.601 -25.672 1.00 0.00 H new ATOM 0 HE22 GLN A 12 32.223 -14.548 -24.273 1.00 0.00 H new ATOM 184 N GLY A 13 29.683 -15.231 -30.019 1.00 0.00 N ATOM 185 CA GLY A 13 29.853 -16.343 -30.939 1.00 0.00 C ATOM 186 C GLY A 13 29.864 -17.678 -30.190 1.00 0.00 C ATOM 187 O GLY A 13 30.865 -18.040 -29.575 1.00 0.00 O ATOM 0 H GLY A 13 28.779 -14.762 -30.080 1.00 0.00 H new ATOM 0 HA2 GLY A 13 29.046 -16.340 -31.672 1.00 0.00 H new ATOM 0 HA3 GLY A 13 30.785 -16.224 -31.491 1.00 0.00 H new ATOM 191 N GLY A 14 28.737 -18.370 -30.266 1.00 0.00 N ATOM 192 CA GLY A 14 28.603 -19.657 -29.602 1.00 0.00 C ATOM 193 C GLY A 14 27.475 -20.481 -30.225 1.00 0.00 C ATOM 194 O GLY A 14 26.752 -19.993 -31.094 1.00 0.00 O ATOM 0 H GLY A 14 27.908 -18.065 -30.777 1.00 0.00 H new ATOM 0 HA2 GLY A 14 29.542 -20.206 -29.674 1.00 0.00 H new ATOM 0 HA3 GLY A 14 28.403 -19.504 -28.541 1.00 0.00 H new ATOM 198 N GLU A 15 27.359 -21.715 -29.758 1.00 0.00 N ATOM 199 CA GLU A 15 26.330 -22.611 -30.258 1.00 0.00 C ATOM 200 C GLU A 15 25.573 -23.252 -29.094 1.00 0.00 C ATOM 201 O GLU A 15 24.389 -22.981 -28.893 1.00 0.00 O ATOM 202 CB GLU A 15 26.930 -23.677 -31.175 1.00 0.00 C ATOM 203 CG GLU A 15 26.091 -23.845 -32.444 1.00 0.00 C ATOM 204 CD GLU A 15 25.589 -25.284 -32.581 1.00 0.00 C ATOM 205 OE1 GLU A 15 26.262 -26.055 -33.298 1.00 0.00 O ATOM 206 OE2 GLU A 15 24.541 -25.580 -31.967 1.00 0.00 O ATOM 0 H GLU A 15 27.961 -22.116 -29.038 1.00 0.00 H new ATOM 0 HA GLU A 15 25.623 -22.028 -30.848 1.00 0.00 H new ATOM 0 HB2 GLU A 15 27.949 -23.399 -31.443 1.00 0.00 H new ATOM 0 HB3 GLU A 15 26.988 -24.627 -30.644 1.00 0.00 H new ATOM 0 HG2 GLU A 15 25.243 -23.161 -32.417 1.00 0.00 H new ATOM 0 HG3 GLU A 15 26.687 -23.579 -33.317 1.00 0.00 H new ATOM 213 N ARG A 16 26.286 -24.090 -28.356 1.00 0.00 N ATOM 214 CA ARG A 16 25.696 -24.772 -27.216 1.00 0.00 C ATOM 215 C ARG A 16 26.741 -25.649 -26.524 1.00 0.00 C ATOM 216 O ARG A 16 27.474 -26.385 -27.182 1.00 0.00 O ATOM 217 CB ARG A 16 24.515 -25.644 -27.647 1.00 0.00 C ATOM 218 CG ARG A 16 23.584 -25.928 -26.467 1.00 0.00 C ATOM 219 CD ARG A 16 22.634 -24.754 -26.222 1.00 0.00 C ATOM 220 NE ARG A 16 21.318 -25.254 -25.765 1.00 0.00 N ATOM 221 CZ ARG A 16 21.082 -25.732 -24.535 1.00 0.00 C ATOM 222 NH1 ARG A 16 22.071 -25.778 -23.633 1.00 0.00 N ATOM 223 NH2 ARG A 16 19.857 -26.165 -24.209 1.00 0.00 N ATOM 0 H ARG A 16 27.267 -24.312 -28.525 1.00 0.00 H new ATOM 0 HA ARG A 16 25.338 -24.011 -26.523 1.00 0.00 H new ATOM 0 HB2 ARG A 16 23.960 -25.144 -28.441 1.00 0.00 H new ATOM 0 HB3 ARG A 16 24.883 -26.584 -28.059 1.00 0.00 H new ATOM 0 HG2 ARG A 16 23.007 -26.832 -26.664 1.00 0.00 H new ATOM 0 HG3 ARG A 16 24.175 -26.116 -25.570 1.00 0.00 H new ATOM 0 HD2 ARG A 16 23.057 -24.083 -25.474 1.00 0.00 H new ATOM 0 HD3 ARG A 16 22.514 -24.175 -27.138 1.00 0.00 H new ATOM 0 HE ARG A 16 20.542 -25.234 -26.427 1.00 0.00 H new ATOM 0 HH11 ARG A 16 23.004 -25.449 -23.882 1.00 0.00 H new ATOM 0 HH12 ARG A 16 21.891 -26.142 -22.697 1.00 0.00 H new ATOM 0 HH21 ARG A 16 19.104 -26.131 -24.897 1.00 0.00 H new ATOM 0 HH22 ARG A 16 19.677 -26.529 -23.273 1.00 0.00 H new ATOM 237 N ARG A 17 26.776 -25.542 -25.204 1.00 0.00 N ATOM 238 CA ARG A 17 27.719 -26.316 -24.414 1.00 0.00 C ATOM 239 C ARG A 17 27.348 -26.252 -22.932 1.00 0.00 C ATOM 240 O ARG A 17 26.689 -25.310 -22.493 1.00 0.00 O ATOM 241 CB ARG A 17 29.147 -25.799 -24.599 1.00 0.00 C ATOM 242 CG ARG A 17 29.288 -24.373 -24.060 1.00 0.00 C ATOM 243 CD ARG A 17 29.089 -23.344 -25.176 1.00 0.00 C ATOM 244 NE ARG A 17 28.237 -22.234 -24.693 1.00 0.00 N ATOM 245 CZ ARG A 17 28.231 -21.005 -25.225 1.00 0.00 C ATOM 246 NH1 ARG A 17 29.034 -20.720 -26.261 1.00 0.00 N ATOM 247 NH2 ARG A 17 27.425 -20.061 -24.724 1.00 0.00 N ATOM 0 H ARG A 17 26.166 -24.931 -24.661 1.00 0.00 H new ATOM 0 HA ARG A 17 27.672 -27.349 -24.759 1.00 0.00 H new ATOM 0 HB2 ARG A 17 29.846 -26.457 -24.083 1.00 0.00 H new ATOM 0 HB3 ARG A 17 29.411 -25.820 -25.656 1.00 0.00 H new ATOM 0 HG2 ARG A 17 28.556 -24.205 -23.270 1.00 0.00 H new ATOM 0 HG3 ARG A 17 30.274 -24.245 -23.613 1.00 0.00 H new ATOM 0 HD2 ARG A 17 30.055 -22.957 -25.502 1.00 0.00 H new ATOM 0 HD3 ARG A 17 28.627 -23.818 -26.042 1.00 0.00 H new ATOM 0 HE ARG A 17 27.615 -22.417 -23.905 1.00 0.00 H new ATOM 0 HH11 ARG A 17 29.648 -21.439 -26.643 1.00 0.00 H new ATOM 0 HH12 ARG A 17 29.030 -19.784 -26.667 1.00 0.00 H new ATOM 0 HH21 ARG A 17 26.814 -20.277 -23.936 1.00 0.00 H new ATOM 0 HH22 ARG A 17 27.421 -19.125 -25.130 1.00 0.00 H new ATOM 261 N ARG A 18 27.789 -27.264 -22.200 1.00 0.00 N ATOM 262 CA ARG A 18 27.512 -27.336 -20.775 1.00 0.00 C ATOM 263 C ARG A 18 28.036 -26.082 -20.070 1.00 0.00 C ATOM 264 O ARG A 18 29.073 -25.541 -20.448 1.00 0.00 O ATOM 265 CB ARG A 18 28.158 -28.572 -20.149 1.00 0.00 C ATOM 266 CG ARG A 18 27.266 -29.803 -20.318 1.00 0.00 C ATOM 267 CD ARG A 18 25.928 -29.613 -19.599 1.00 0.00 C ATOM 268 NE ARG A 18 24.868 -29.289 -20.578 1.00 0.00 N ATOM 269 CZ ARG A 18 24.505 -30.094 -21.587 1.00 0.00 C ATOM 270 NH1 ARG A 18 25.116 -31.275 -21.753 1.00 0.00 N ATOM 271 NH2 ARG A 18 23.532 -29.717 -22.428 1.00 0.00 N ATOM 0 H ARG A 18 28.337 -28.042 -22.567 1.00 0.00 H new ATOM 0 HA ARG A 18 26.431 -27.404 -20.650 1.00 0.00 H new ATOM 0 HB2 ARG A 18 29.127 -28.755 -20.613 1.00 0.00 H new ATOM 0 HB3 ARG A 18 28.341 -28.394 -19.089 1.00 0.00 H new ATOM 0 HG2 ARG A 18 27.091 -29.987 -21.378 1.00 0.00 H new ATOM 0 HG3 ARG A 18 27.774 -30.682 -19.922 1.00 0.00 H new ATOM 0 HD2 ARG A 18 25.666 -30.520 -19.055 1.00 0.00 H new ATOM 0 HD3 ARG A 18 26.012 -28.813 -18.863 1.00 0.00 H new ATOM 0 HE ARG A 18 24.383 -28.397 -20.480 1.00 0.00 H new ATOM 0 HH11 ARG A 18 25.856 -31.561 -21.112 1.00 0.00 H new ATOM 0 HH12 ARG A 18 24.841 -31.888 -22.520 1.00 0.00 H new ATOM 0 HH21 ARG A 18 23.068 -28.818 -22.300 1.00 0.00 H new ATOM 0 HH22 ARG A 18 23.256 -30.329 -23.196 1.00 0.00 H new ATOM 285 N SER A 19 27.292 -25.657 -19.058 1.00 0.00 N ATOM 286 CA SER A 19 27.669 -24.478 -18.297 1.00 0.00 C ATOM 287 C SER A 19 29.166 -24.512 -17.986 1.00 0.00 C ATOM 288 O SER A 19 29.586 -25.120 -17.002 1.00 0.00 O ATOM 289 CB SER A 19 26.860 -24.377 -17.002 1.00 0.00 C ATOM 290 OG SER A 19 25.582 -23.784 -17.216 1.00 0.00 O ATOM 0 H SER A 19 26.431 -26.108 -18.748 1.00 0.00 H new ATOM 0 HA SER A 19 27.450 -23.597 -18.900 1.00 0.00 H new ATOM 0 HB2 SER A 19 26.731 -25.372 -16.576 1.00 0.00 H new ATOM 0 HB3 SER A 19 27.416 -23.788 -16.272 1.00 0.00 H new ATOM 0 HG SER A 19 25.096 -23.739 -16.366 1.00 0.00 H new ATOM 296 N GLN A 20 29.931 -23.851 -18.843 1.00 0.00 N ATOM 297 CA GLN A 20 31.374 -23.798 -18.672 1.00 0.00 C ATOM 298 C GLN A 20 31.894 -25.133 -18.134 1.00 0.00 C ATOM 299 O GLN A 20 32.738 -25.159 -17.240 1.00 0.00 O ATOM 300 CB GLN A 20 31.774 -22.643 -17.752 1.00 0.00 C ATOM 301 CG GLN A 20 32.596 -21.598 -18.509 1.00 0.00 C ATOM 302 CD GLN A 20 32.154 -20.181 -18.143 1.00 0.00 C ATOM 303 OE1 GLN A 20 32.741 -19.517 -17.304 1.00 0.00 O ATOM 304 NE2 GLN A 20 31.087 -19.755 -18.814 1.00 0.00 N ATOM 0 H GLN A 20 29.579 -23.348 -19.658 1.00 0.00 H new ATOM 0 HA GLN A 20 31.830 -23.619 -19.646 1.00 0.00 H new ATOM 0 HB2 GLN A 20 30.880 -22.177 -17.338 1.00 0.00 H new ATOM 0 HB3 GLN A 20 32.352 -23.027 -16.911 1.00 0.00 H new ATOM 0 HG2 GLN A 20 33.653 -21.724 -18.276 1.00 0.00 H new ATOM 0 HG3 GLN A 20 32.485 -21.751 -19.582 1.00 0.00 H new ATOM 0 HE21 GLN A 20 30.643 -20.361 -19.503 1.00 0.00 H new ATOM 0 HE22 GLN A 20 30.713 -18.822 -18.639 1.00 0.00 H new ATOM 313 N LEU A 21 31.368 -26.208 -18.701 1.00 0.00 N ATOM 314 CA LEU A 21 31.768 -27.543 -18.290 1.00 0.00 C ATOM 315 C LEU A 21 32.741 -28.119 -19.322 1.00 0.00 C ATOM 316 O LEU A 21 32.333 -28.849 -20.225 1.00 0.00 O ATOM 317 CB LEU A 21 30.539 -28.420 -18.047 1.00 0.00 C ATOM 318 CG LEU A 21 30.690 -29.504 -16.976 1.00 0.00 C ATOM 319 CD1 LEU A 21 29.987 -30.795 -17.401 1.00 0.00 C ATOM 320 CD2 LEU A 21 32.163 -29.737 -16.637 1.00 0.00 C ATOM 0 H LEU A 21 30.668 -26.182 -19.442 1.00 0.00 H new ATOM 0 HA LEU A 21 32.297 -27.506 -17.338 1.00 0.00 H new ATOM 0 HB2 LEU A 21 29.706 -27.775 -17.768 1.00 0.00 H new ATOM 0 HB3 LEU A 21 30.269 -28.901 -18.987 1.00 0.00 H new ATOM 0 HG LEU A 21 30.202 -29.157 -16.065 1.00 0.00 H new ATOM 0 HD11 LEU A 21 30.109 -31.549 -16.623 1.00 0.00 H new ATOM 0 HD12 LEU A 21 28.926 -30.598 -17.552 1.00 0.00 H new ATOM 0 HD13 LEU A 21 30.425 -31.159 -18.331 1.00 0.00 H new ATOM 0 HD21 LEU A 21 32.243 -30.511 -15.874 1.00 0.00 H new ATOM 0 HD22 LEU A 21 32.697 -30.054 -17.533 1.00 0.00 H new ATOM 0 HD23 LEU A 21 32.601 -28.812 -16.262 1.00 0.00 H new ATOM 332 N ASP A 22 34.008 -27.770 -19.153 1.00 0.00 N ATOM 333 CA ASP A 22 35.041 -28.244 -20.058 1.00 0.00 C ATOM 334 C ASP A 22 35.085 -29.773 -20.022 1.00 0.00 C ATOM 335 O ASP A 22 34.623 -30.387 -19.061 1.00 0.00 O ATOM 336 CB ASP A 22 36.417 -27.722 -19.644 1.00 0.00 C ATOM 337 CG ASP A 22 37.484 -27.765 -20.741 1.00 0.00 C ATOM 338 OD1 ASP A 22 37.093 -28.017 -21.902 1.00 0.00 O ATOM 339 OD2 ASP A 22 38.665 -27.544 -20.395 1.00 0.00 O ATOM 0 H ASP A 22 34.342 -27.165 -18.403 1.00 0.00 H new ATOM 0 HA ASP A 22 34.803 -27.882 -21.058 1.00 0.00 H new ATOM 0 HB2 ASP A 22 36.310 -26.692 -19.302 1.00 0.00 H new ATOM 0 HB3 ASP A 22 36.769 -28.305 -18.793 1.00 0.00 H new ATOM 344 N ARG A 23 35.643 -30.343 -21.079 1.00 0.00 N ATOM 345 CA ARG A 23 35.752 -31.789 -21.179 1.00 0.00 C ATOM 346 C ARG A 23 36.718 -32.322 -20.120 1.00 0.00 C ATOM 347 O ARG A 23 36.838 -33.533 -19.937 1.00 0.00 O ATOM 348 CB ARG A 23 36.244 -32.209 -22.566 1.00 0.00 C ATOM 349 CG ARG A 23 35.071 -32.395 -23.530 1.00 0.00 C ATOM 350 CD ARG A 23 34.151 -33.525 -23.062 1.00 0.00 C ATOM 351 NE ARG A 23 34.255 -34.677 -23.986 1.00 0.00 N ATOM 352 CZ ARG A 23 33.423 -35.727 -23.972 1.00 0.00 C ATOM 353 NH1 ARG A 23 32.421 -35.778 -23.084 1.00 0.00 N ATOM 354 NH2 ARG A 23 33.593 -36.727 -24.848 1.00 0.00 N ATOM 0 H ARG A 23 36.025 -29.830 -21.874 1.00 0.00 H new ATOM 0 HA ARG A 23 34.760 -32.209 -21.015 1.00 0.00 H new ATOM 0 HB2 ARG A 23 36.926 -31.454 -22.958 1.00 0.00 H new ATOM 0 HB3 ARG A 23 36.808 -33.139 -22.490 1.00 0.00 H new ATOM 0 HG2 ARG A 23 34.505 -31.467 -23.603 1.00 0.00 H new ATOM 0 HG3 ARG A 23 35.448 -32.618 -24.528 1.00 0.00 H new ATOM 0 HD2 ARG A 23 34.423 -33.832 -22.052 1.00 0.00 H new ATOM 0 HD3 ARG A 23 33.120 -33.173 -23.021 1.00 0.00 H new ATOM 0 HE ARG A 23 35.006 -34.671 -24.676 1.00 0.00 H new ATOM 0 HH11 ARG A 23 32.291 -35.017 -22.418 1.00 0.00 H new ATOM 0 HH12 ARG A 23 31.788 -36.578 -23.074 1.00 0.00 H new ATOM 0 HH21 ARG A 23 34.355 -36.688 -25.525 1.00 0.00 H new ATOM 0 HH22 ARG A 23 32.960 -37.527 -24.838 1.00 0.00 H new ATOM 368 N ASP A 24 37.383 -31.393 -19.449 1.00 0.00 N ATOM 369 CA ASP A 24 38.335 -31.755 -18.412 1.00 0.00 C ATOM 370 C ASP A 24 38.067 -30.913 -17.163 1.00 0.00 C ATOM 371 O ASP A 24 38.961 -30.711 -16.343 1.00 0.00 O ATOM 372 CB ASP A 24 39.771 -31.486 -18.865 1.00 0.00 C ATOM 373 CG ASP A 24 40.706 -32.696 -18.804 1.00 0.00 C ATOM 374 OD1 ASP A 24 41.878 -32.528 -19.205 1.00 0.00 O ATOM 375 OD2 ASP A 24 40.227 -33.761 -18.361 1.00 0.00 O ATOM 0 H ASP A 24 37.281 -30.390 -19.603 1.00 0.00 H new ATOM 0 HA ASP A 24 38.217 -32.818 -18.201 1.00 0.00 H new ATOM 0 HB2 ASP A 24 39.749 -31.114 -19.889 1.00 0.00 H new ATOM 0 HB3 ASP A 24 40.188 -30.692 -18.246 1.00 0.00 H new ATOM 380 N GLN A 25 36.832 -30.444 -17.058 1.00 0.00 N ATOM 381 CA GLN A 25 36.435 -29.629 -15.923 1.00 0.00 C ATOM 382 C GLN A 25 35.524 -30.427 -14.987 1.00 0.00 C ATOM 383 O GLN A 25 34.433 -30.837 -15.379 1.00 0.00 O ATOM 384 CB GLN A 25 35.751 -28.340 -16.386 1.00 0.00 C ATOM 385 CG GLN A 25 36.730 -27.164 -16.372 1.00 0.00 C ATOM 386 CD GLN A 25 36.231 -26.047 -15.453 1.00 0.00 C ATOM 387 OE1 GLN A 25 36.066 -26.220 -14.256 1.00 0.00 O ATOM 388 NE2 GLN A 25 36.001 -24.896 -16.076 1.00 0.00 N ATOM 0 H GLN A 25 36.093 -30.613 -17.741 1.00 0.00 H new ATOM 0 HA GLN A 25 37.332 -29.348 -15.372 1.00 0.00 H new ATOM 0 HB2 GLN A 25 35.355 -28.476 -17.392 1.00 0.00 H new ATOM 0 HB3 GLN A 25 34.904 -28.120 -15.736 1.00 0.00 H new ATOM 0 HG2 GLN A 25 37.709 -27.505 -16.037 1.00 0.00 H new ATOM 0 HG3 GLN A 25 36.856 -26.779 -17.384 1.00 0.00 H new ATOM 0 HE21 GLN A 25 36.160 -24.819 -17.081 1.00 0.00 H new ATOM 0 HE22 GLN A 25 35.666 -24.089 -15.550 1.00 0.00 H new ATOM 397 N CYS A 26 36.008 -30.625 -13.770 1.00 0.00 N ATOM 398 CA CYS A 26 35.251 -31.367 -12.776 1.00 0.00 C ATOM 399 C CYS A 26 33.878 -30.708 -12.627 1.00 0.00 C ATOM 400 O CYS A 26 33.783 -29.491 -12.475 1.00 0.00 O ATOM 401 CB CYS A 26 35.995 -31.445 -11.441 1.00 0.00 C ATOM 402 SG CYS A 26 34.992 -32.366 -10.218 1.00 0.00 S ATOM 0 H CYS A 26 36.915 -30.285 -13.450 1.00 0.00 H new ATOM 0 HA CYS A 26 35.124 -32.398 -13.107 1.00 0.00 H new ATOM 0 HB2 CYS A 26 36.957 -31.938 -11.580 1.00 0.00 H new ATOM 0 HB3 CYS A 26 36.202 -30.441 -11.071 1.00 0.00 H new ATOM 407 N ALA A 27 32.849 -31.541 -12.674 1.00 0.00 N ATOM 408 CA ALA A 27 31.486 -31.054 -12.546 1.00 0.00 C ATOM 409 C ALA A 27 30.990 -31.309 -11.120 1.00 0.00 C ATOM 410 O ALA A 27 29.809 -31.575 -10.909 1.00 0.00 O ATOM 411 CB ALA A 27 30.603 -31.727 -13.599 1.00 0.00 C ATOM 0 H ALA A 27 32.932 -32.550 -12.799 1.00 0.00 H new ATOM 0 HA ALA A 27 31.444 -29.979 -12.723 1.00 0.00 H new ATOM 0 HB1 ALA A 27 29.580 -31.362 -13.503 1.00 0.00 H new ATOM 0 HB2 ALA A 27 30.981 -31.492 -14.594 1.00 0.00 H new ATOM 0 HB3 ALA A 27 30.618 -32.807 -13.450 1.00 0.00 H new ATOM 417 N TYR A 28 31.920 -31.218 -10.180 1.00 0.00 N ATOM 418 CA TYR A 28 31.591 -31.435 -8.781 1.00 0.00 C ATOM 419 C TYR A 28 32.075 -30.268 -7.917 1.00 0.00 C ATOM 420 O TYR A 28 31.290 -29.664 -7.187 1.00 0.00 O ATOM 421 CB TYR A 28 32.336 -32.705 -8.365 1.00 0.00 C ATOM 422 CG TYR A 28 31.808 -33.344 -7.079 1.00 0.00 C ATOM 423 CD1 TYR A 28 30.820 -34.305 -7.142 1.00 0.00 C ATOM 424 CD2 TYR A 28 32.320 -32.958 -5.857 1.00 0.00 C ATOM 425 CE1 TYR A 28 30.323 -34.905 -5.932 1.00 0.00 C ATOM 426 CE2 TYR A 28 31.823 -33.559 -4.646 1.00 0.00 C ATOM 427 CZ TYR A 28 30.849 -34.504 -4.744 1.00 0.00 C ATOM 428 OH TYR A 28 30.379 -35.071 -3.601 1.00 0.00 O ATOM 0 H TYR A 28 32.900 -30.997 -10.359 1.00 0.00 H new ATOM 0 HA TYR A 28 30.512 -31.521 -8.649 1.00 0.00 H new ATOM 0 HB2 TYR A 28 32.271 -33.433 -9.173 1.00 0.00 H new ATOM 0 HB3 TYR A 28 33.392 -32.468 -8.234 1.00 0.00 H new ATOM 0 HD1 TYR A 28 30.420 -34.607 -8.099 1.00 0.00 H new ATOM 0 HD2 TYR A 28 33.093 -32.205 -5.809 1.00 0.00 H new ATOM 0 HE1 TYR A 28 29.549 -35.657 -5.967 1.00 0.00 H new ATOM 0 HE2 TYR A 28 32.214 -33.266 -3.683 1.00 0.00 H new ATOM 0 HH TYR A 28 30.847 -34.688 -2.830 1.00 0.00 H new ATOM 438 N CYS A 29 33.365 -29.985 -8.030 1.00 0.00 N ATOM 439 CA CYS A 29 33.962 -28.901 -7.268 1.00 0.00 C ATOM 440 C CYS A 29 34.213 -27.729 -8.218 1.00 0.00 C ATOM 441 O CYS A 29 34.296 -26.581 -7.783 1.00 0.00 O ATOM 442 CB CYS A 29 35.243 -29.347 -6.560 1.00 0.00 C ATOM 443 SG CYS A 29 36.493 -29.861 -7.794 1.00 0.00 S ATOM 0 H CYS A 29 34.013 -30.487 -8.637 1.00 0.00 H new ATOM 0 HA CYS A 29 33.279 -28.588 -6.478 1.00 0.00 H new ATOM 0 HB2 CYS A 29 35.635 -28.532 -5.951 1.00 0.00 H new ATOM 0 HB3 CYS A 29 35.026 -30.174 -5.884 1.00 0.00 H new ATOM 448 N LYS A 30 34.326 -28.057 -9.497 1.00 0.00 N ATOM 449 CA LYS A 30 34.566 -27.045 -10.511 1.00 0.00 C ATOM 450 C LYS A 30 36.073 -26.882 -10.716 1.00 0.00 C ATOM 451 O LYS A 30 36.536 -25.817 -11.121 1.00 0.00 O ATOM 452 CB LYS A 30 33.850 -25.742 -10.148 1.00 0.00 C ATOM 453 CG LYS A 30 32.464 -26.023 -9.563 1.00 0.00 C ATOM 454 CD LYS A 30 31.373 -25.322 -10.376 1.00 0.00 C ATOM 455 CE LYS A 30 30.905 -26.200 -11.539 1.00 0.00 C ATOM 456 NZ LYS A 30 31.692 -25.909 -12.758 1.00 0.00 N ATOM 0 H LYS A 30 34.256 -29.010 -9.854 1.00 0.00 H new ATOM 0 HA LYS A 30 34.146 -27.357 -11.467 1.00 0.00 H new ATOM 0 HB2 LYS A 30 34.447 -25.184 -9.427 1.00 0.00 H new ATOM 0 HB3 LYS A 30 33.754 -25.116 -11.035 1.00 0.00 H new ATOM 0 HG2 LYS A 30 32.281 -27.097 -9.552 1.00 0.00 H new ATOM 0 HG3 LYS A 30 32.426 -25.683 -8.528 1.00 0.00 H new ATOM 0 HD2 LYS A 30 30.527 -25.087 -9.730 1.00 0.00 H new ATOM 0 HD3 LYS A 30 31.753 -24.375 -10.760 1.00 0.00 H new ATOM 0 HE2 LYS A 30 31.010 -27.252 -11.274 1.00 0.00 H new ATOM 0 HE3 LYS A 30 29.847 -26.024 -11.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 31.307 -26.451 -13.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 31.639 -24.892 -12.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 32.684 -26.179 -12.603 1.00 0.00 H new ATOM 470 N GLU A 31 36.796 -27.954 -10.428 1.00 0.00 N ATOM 471 CA GLU A 31 38.242 -27.943 -10.575 1.00 0.00 C ATOM 472 C GLU A 31 38.646 -28.605 -11.895 1.00 0.00 C ATOM 473 O GLU A 31 38.307 -29.760 -12.143 1.00 0.00 O ATOM 474 CB GLU A 31 38.920 -28.628 -9.388 1.00 0.00 C ATOM 475 CG GLU A 31 38.668 -27.856 -8.091 1.00 0.00 C ATOM 476 CD GLU A 31 39.715 -26.756 -7.897 1.00 0.00 C ATOM 477 OE1 GLU A 31 39.963 -26.411 -6.721 1.00 0.00 O ATOM 478 OE2 GLU A 31 40.243 -26.286 -8.927 1.00 0.00 O ATOM 0 H GLU A 31 36.408 -28.836 -10.094 1.00 0.00 H new ATOM 0 HA GLU A 31 38.578 -26.906 -10.593 1.00 0.00 H new ATOM 0 HB2 GLU A 31 38.544 -29.646 -9.288 1.00 0.00 H new ATOM 0 HB3 GLU A 31 39.992 -28.701 -9.570 1.00 0.00 H new ATOM 0 HG2 GLU A 31 37.671 -27.415 -8.113 1.00 0.00 H new ATOM 0 HG3 GLU A 31 38.694 -28.542 -7.244 1.00 0.00 H new ATOM 485 N LYS A 32 39.364 -27.843 -12.706 1.00 0.00 N ATOM 486 CA LYS A 32 39.819 -28.340 -13.994 1.00 0.00 C ATOM 487 C LYS A 32 41.075 -29.191 -13.793 1.00 0.00 C ATOM 488 O LYS A 32 42.008 -28.772 -13.110 1.00 0.00 O ATOM 489 CB LYS A 32 40.008 -27.185 -14.979 1.00 0.00 C ATOM 490 CG LYS A 32 40.284 -27.707 -16.390 1.00 0.00 C ATOM 491 CD LYS A 32 40.604 -26.558 -17.347 1.00 0.00 C ATOM 492 CE LYS A 32 42.106 -26.274 -17.381 1.00 0.00 C ATOM 493 NZ LYS A 32 42.417 -25.243 -18.397 1.00 0.00 N ATOM 0 H LYS A 32 39.642 -26.884 -12.497 1.00 0.00 H new ATOM 0 HA LYS A 32 39.064 -28.987 -14.441 1.00 0.00 H new ATOM 0 HB2 LYS A 32 39.115 -26.560 -14.987 1.00 0.00 H new ATOM 0 HB3 LYS A 32 40.835 -26.555 -14.652 1.00 0.00 H new ATOM 0 HG2 LYS A 32 41.119 -28.408 -16.366 1.00 0.00 H new ATOM 0 HG3 LYS A 32 39.416 -28.257 -16.754 1.00 0.00 H new ATOM 0 HD2 LYS A 32 40.255 -26.807 -18.349 1.00 0.00 H new ATOM 0 HD3 LYS A 32 40.068 -25.661 -17.036 1.00 0.00 H new ATOM 0 HE2 LYS A 32 42.441 -25.938 -16.400 1.00 0.00 H new ATOM 0 HE3 LYS A 32 42.650 -27.191 -17.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 43.441 -25.063 -18.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 42.116 -25.578 -19.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 41.913 -24.364 -18.165 1.00 0.00 H new ATOM 507 N GLY A 33 41.057 -30.368 -14.400 1.00 0.00 N ATOM 508 CA GLY A 33 42.183 -31.280 -14.297 1.00 0.00 C ATOM 509 C GLY A 33 41.709 -32.708 -14.018 1.00 0.00 C ATOM 510 O GLY A 33 42.183 -33.656 -14.643 1.00 0.00 O ATOM 0 H GLY A 33 40.280 -30.711 -14.965 1.00 0.00 H new ATOM 0 HA2 GLY A 33 42.759 -31.258 -15.222 1.00 0.00 H new ATOM 0 HA3 GLY A 33 42.849 -30.952 -13.499 1.00 0.00 H new ATOM 514 N HIS A 34 40.779 -32.816 -13.082 1.00 0.00 N ATOM 515 CA HIS A 34 40.234 -34.112 -12.714 1.00 0.00 C ATOM 516 C HIS A 34 38.743 -34.158 -13.053 1.00 0.00 C ATOM 517 O HIS A 34 38.101 -33.118 -13.190 1.00 0.00 O ATOM 518 CB HIS A 34 40.518 -34.422 -11.242 1.00 0.00 C ATOM 519 CG HIS A 34 39.752 -33.552 -10.273 1.00 0.00 C ATOM 520 ND1 HIS A 34 40.316 -32.458 -9.639 1.00 0.00 N ATOM 521 CD2 HIS A 34 38.461 -33.626 -9.837 1.00 0.00 C ATOM 522 CE1 HIS A 34 39.398 -31.907 -8.860 1.00 0.00 C ATOM 523 NE2 HIS A 34 38.249 -32.633 -8.983 1.00 0.00 N ATOM 0 H HIS A 34 40.388 -32.027 -12.567 1.00 0.00 H new ATOM 0 HA HIS A 34 40.726 -34.895 -13.292 1.00 0.00 H new ATOM 0 HB2 HIS A 34 40.274 -35.467 -11.048 1.00 0.00 H new ATOM 0 HB3 HIS A 34 41.585 -34.303 -11.056 1.00 0.00 H new ATOM 0 HD1 HIS A 34 41.276 -32.132 -9.753 1.00 0.00 H new ATOM 0 HD2 HIS A 34 37.735 -34.367 -10.136 1.00 0.00 H new ATOM 0 HE1 HIS A 34 39.535 -31.036 -8.237 1.00 0.00 H new ATOM 531 N TRP A 35 38.235 -35.374 -13.178 1.00 0.00 N ATOM 532 CA TRP A 35 36.831 -35.570 -13.498 1.00 0.00 C ATOM 533 C TRP A 35 36.057 -35.688 -12.183 1.00 0.00 C ATOM 534 O TRP A 35 36.646 -35.948 -11.135 1.00 0.00 O ATOM 535 CB TRP A 35 36.641 -36.781 -14.414 1.00 0.00 C ATOM 536 CG TRP A 35 36.669 -36.444 -15.906 1.00 0.00 C ATOM 537 CD1 TRP A 35 37.414 -35.521 -16.530 1.00 0.00 C ATOM 538 CD2 TRP A 35 35.883 -37.068 -16.943 1.00 0.00 C ATOM 539 NE1 TRP A 35 37.166 -35.504 -17.887 1.00 0.00 N ATOM 540 CE2 TRP A 35 36.206 -36.475 -18.147 1.00 0.00 C ATOM 541 CE3 TRP A 35 34.931 -38.100 -16.867 1.00 0.00 C ATOM 542 CZ2 TRP A 35 35.623 -36.846 -19.364 1.00 0.00 C ATOM 543 CZ3 TRP A 35 34.358 -38.458 -18.093 1.00 0.00 C ATOM 544 CH2 TRP A 35 34.672 -37.871 -19.312 1.00 0.00 C ATOM 0 H TRP A 35 38.770 -36.235 -13.064 1.00 0.00 H new ATOM 0 HA TRP A 35 36.441 -34.719 -14.056 1.00 0.00 H new ATOM 0 HB2 TRP A 35 37.423 -37.510 -14.202 1.00 0.00 H new ATOM 0 HB3 TRP A 35 35.689 -37.257 -14.177 1.00 0.00 H new ATOM 0 HD1 TRP A 35 38.120 -34.872 -16.033 1.00 0.00 H new ATOM 0 HE1 TRP A 35 37.606 -34.891 -18.573 1.00 0.00 H new ATOM 0 HE3 TRP A 35 34.663 -38.578 -15.937 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 35.893 -36.367 -20.294 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 33.620 -39.246 -18.091 1.00 0.00 H new ATOM 0 HH2 TRP A 35 34.184 -38.204 -20.216 1.00 0.00 H new ATOM 555 N ALA A 36 34.751 -35.490 -12.283 1.00 0.00 N ATOM 556 CA ALA A 36 33.891 -35.571 -11.114 1.00 0.00 C ATOM 557 C ALA A 36 34.003 -36.968 -10.500 1.00 0.00 C ATOM 558 O ALA A 36 33.945 -37.121 -9.281 1.00 0.00 O ATOM 559 CB ALA A 36 32.457 -35.222 -11.511 1.00 0.00 C ATOM 0 H ALA A 36 34.267 -35.274 -13.155 1.00 0.00 H new ATOM 0 HA ALA A 36 34.203 -34.852 -10.357 1.00 0.00 H new ATOM 0 HB1 ALA A 36 31.812 -35.283 -10.635 1.00 0.00 H new ATOM 0 HB2 ALA A 36 32.427 -34.210 -11.914 1.00 0.00 H new ATOM 0 HB3 ALA A 36 32.108 -35.924 -12.268 1.00 0.00 H new ATOM 565 N LYS A 37 34.160 -37.953 -11.373 1.00 0.00 N ATOM 566 CA LYS A 37 34.279 -39.332 -10.932 1.00 0.00 C ATOM 567 C LYS A 37 35.609 -39.515 -10.199 1.00 0.00 C ATOM 568 O LYS A 37 35.853 -40.560 -9.598 1.00 0.00 O ATOM 569 CB LYS A 37 34.089 -40.289 -12.110 1.00 0.00 C ATOM 570 CG LYS A 37 32.695 -40.137 -12.722 1.00 0.00 C ATOM 571 CD LYS A 37 32.399 -41.274 -13.703 1.00 0.00 C ATOM 572 CE LYS A 37 31.259 -40.896 -14.650 1.00 0.00 C ATOM 573 NZ LYS A 37 31.755 -40.020 -15.735 1.00 0.00 N ATOM 0 H LYS A 37 34.207 -37.823 -12.384 1.00 0.00 H new ATOM 0 HA LYS A 37 33.488 -39.575 -10.223 1.00 0.00 H new ATOM 0 HB2 LYS A 37 34.846 -40.092 -12.869 1.00 0.00 H new ATOM 0 HB3 LYS A 37 34.233 -41.316 -11.775 1.00 0.00 H new ATOM 0 HG2 LYS A 37 31.945 -40.130 -11.931 1.00 0.00 H new ATOM 0 HG3 LYS A 37 32.623 -39.179 -13.237 1.00 0.00 H new ATOM 0 HD2 LYS A 37 33.295 -41.504 -14.280 1.00 0.00 H new ATOM 0 HD3 LYS A 37 32.135 -42.176 -13.151 1.00 0.00 H new ATOM 0 HE2 LYS A 37 30.818 -41.797 -15.075 1.00 0.00 H new ATOM 0 HE3 LYS A 37 30.471 -40.387 -14.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 31.422 -39.048 -15.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 32.795 -40.033 -15.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 31.397 -40.363 -16.649 1.00 0.00 H new ATOM 587 N ASP A 38 36.436 -38.482 -10.272 1.00 0.00 N ATOM 588 CA ASP A 38 37.736 -38.516 -9.623 1.00 0.00 C ATOM 589 C ASP A 38 37.893 -37.274 -8.743 1.00 0.00 C ATOM 590 O ASP A 38 39.011 -36.885 -8.408 1.00 0.00 O ATOM 591 CB ASP A 38 38.866 -38.512 -10.653 1.00 0.00 C ATOM 592 CG ASP A 38 40.074 -39.378 -10.291 1.00 0.00 C ATOM 593 OD1 ASP A 38 40.968 -38.843 -9.600 1.00 0.00 O ATOM 594 OD2 ASP A 38 40.077 -40.555 -10.713 1.00 0.00 O ATOM 0 H ASP A 38 36.231 -37.616 -10.771 1.00 0.00 H new ATOM 0 HA ASP A 38 37.794 -39.428 -9.029 1.00 0.00 H new ATOM 0 HB2 ASP A 38 38.467 -38.852 -11.609 1.00 0.00 H new ATOM 0 HB3 ASP A 38 39.204 -37.485 -10.796 1.00 0.00 H new ATOM 599 N CYS A 39 36.759 -36.688 -8.394 1.00 0.00 N ATOM 600 CA CYS A 39 36.758 -35.498 -7.559 1.00 0.00 C ATOM 601 C CYS A 39 37.253 -35.889 -6.165 1.00 0.00 C ATOM 602 O CYS A 39 36.768 -36.856 -5.579 1.00 0.00 O ATOM 603 CB CYS A 39 35.375 -34.843 -7.511 1.00 0.00 C ATOM 604 SG CYS A 39 35.478 -33.229 -6.656 1.00 0.00 S ATOM 0 H CYS A 39 35.834 -37.014 -8.674 1.00 0.00 H new ATOM 0 HA CYS A 39 37.428 -34.751 -7.985 1.00 0.00 H new ATOM 0 HB2 CYS A 39 34.994 -34.704 -8.523 1.00 0.00 H new ATOM 0 HB3 CYS A 39 34.672 -35.495 -6.992 1.00 0.00 H new ATOM 609 N PRO A 40 38.237 -35.096 -5.662 1.00 0.00 N ATOM 610 CA PRO A 40 38.803 -35.349 -4.348 1.00 0.00 C ATOM 611 C PRO A 40 37.839 -34.914 -3.242 1.00 0.00 C ATOM 612 O PRO A 40 38.147 -35.043 -2.059 1.00 0.00 O ATOM 613 CB PRO A 40 40.114 -34.581 -4.329 1.00 0.00 C ATOM 614 CG PRO A 40 40.012 -33.557 -5.448 1.00 0.00 C ATOM 615 CD PRO A 40 38.834 -33.942 -6.327 1.00 0.00 C ATOM 0 HA PRO A 40 38.975 -36.409 -4.162 1.00 0.00 H new ATOM 0 HB2 PRO A 40 40.267 -34.094 -3.366 1.00 0.00 H new ATOM 0 HB3 PRO A 40 40.961 -35.249 -4.487 1.00 0.00 H new ATOM 0 HG2 PRO A 40 39.872 -32.557 -5.038 1.00 0.00 H new ATOM 0 HG3 PRO A 40 40.933 -33.536 -6.031 1.00 0.00 H new ATOM 0 HD2 PRO A 40 38.121 -33.122 -6.414 1.00 0.00 H new ATOM 0 HD3 PRO A 40 39.159 -34.191 -7.337 1.00 0.00 H new ATOM 623 N LYS A 41 36.691 -34.407 -3.668 1.00 0.00 N ATOM 624 CA LYS A 41 35.680 -33.952 -2.729 1.00 0.00 C ATOM 625 C LYS A 41 34.658 -35.068 -2.505 1.00 0.00 C ATOM 626 O LYS A 41 33.929 -35.059 -1.514 1.00 0.00 O ATOM 627 CB LYS A 41 35.060 -32.637 -3.205 1.00 0.00 C ATOM 628 CG LYS A 41 34.418 -31.879 -2.040 1.00 0.00 C ATOM 629 CD LYS A 41 33.432 -30.827 -2.548 1.00 0.00 C ATOM 630 CE LYS A 41 32.266 -30.650 -1.572 1.00 0.00 C ATOM 631 NZ LYS A 41 31.890 -29.223 -1.466 1.00 0.00 N ATOM 0 H LYS A 41 36.439 -34.301 -4.651 1.00 0.00 H new ATOM 0 HA LYS A 41 36.131 -33.733 -1.761 1.00 0.00 H new ATOM 0 HB2 LYS A 41 35.827 -32.016 -3.669 1.00 0.00 H new ATOM 0 HB3 LYS A 41 34.309 -32.840 -3.969 1.00 0.00 H new ATOM 0 HG2 LYS A 41 33.901 -32.581 -1.385 1.00 0.00 H new ATOM 0 HG3 LYS A 41 35.193 -31.398 -1.443 1.00 0.00 H new ATOM 0 HD2 LYS A 41 33.947 -29.876 -2.681 1.00 0.00 H new ATOM 0 HD3 LYS A 41 33.051 -31.123 -3.525 1.00 0.00 H new ATOM 0 HE2 LYS A 41 31.410 -31.234 -1.910 1.00 0.00 H new ATOM 0 HE3 LYS A 41 32.545 -31.032 -0.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 31.098 -29.121 -0.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 32.704 -28.674 -1.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 31.604 -28.869 -2.401 1.00 0.00 H new ATOM 645 N LYS A 42 34.637 -36.004 -3.443 1.00 0.00 N ATOM 646 CA LYS A 42 33.717 -37.126 -3.361 1.00 0.00 C ATOM 647 C LYS A 42 34.225 -38.123 -2.317 1.00 0.00 C ATOM 648 O LYS A 42 35.425 -38.199 -2.061 1.00 0.00 O ATOM 649 CB LYS A 42 33.497 -37.741 -4.744 1.00 0.00 C ATOM 650 CG LYS A 42 32.177 -37.265 -5.353 1.00 0.00 C ATOM 651 CD LYS A 42 31.621 -38.298 -6.335 1.00 0.00 C ATOM 652 CE LYS A 42 31.393 -37.676 -7.715 1.00 0.00 C ATOM 653 NZ LYS A 42 31.318 -38.729 -8.752 1.00 0.00 N ATOM 0 H LYS A 42 35.243 -36.008 -4.264 1.00 0.00 H new ATOM 0 HA LYS A 42 32.735 -36.789 -3.028 1.00 0.00 H new ATOM 0 HB2 LYS A 42 34.323 -37.471 -5.402 1.00 0.00 H new ATOM 0 HB3 LYS A 42 33.494 -38.828 -4.666 1.00 0.00 H new ATOM 0 HG2 LYS A 42 31.451 -37.084 -4.560 1.00 0.00 H new ATOM 0 HG3 LYS A 42 32.331 -36.316 -5.867 1.00 0.00 H new ATOM 0 HD2 LYS A 42 32.314 -39.135 -6.419 1.00 0.00 H new ATOM 0 HD3 LYS A 42 30.682 -38.699 -5.953 1.00 0.00 H new ATOM 0 HE2 LYS A 42 30.471 -37.095 -7.711 1.00 0.00 H new ATOM 0 HE3 LYS A 42 32.204 -36.985 -7.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 31.861 -38.432 -9.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 31.715 -39.614 -8.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 30.325 -38.881 -9.021 1.00 0.00 H new ATOM 667 N PRO A 43 33.262 -38.881 -1.730 1.00 0.00 N ATOM 668 CA PRO A 43 33.601 -39.870 -0.720 1.00 0.00 C ATOM 669 C PRO A 43 34.235 -41.108 -1.357 1.00 0.00 C ATOM 670 O PRO A 43 33.834 -41.528 -2.442 1.00 0.00 O ATOM 671 CB PRO A 43 32.290 -40.172 -0.011 1.00 0.00 C ATOM 672 CG PRO A 43 31.190 -39.695 -0.946 1.00 0.00 C ATOM 673 CD PRO A 43 31.830 -38.818 -2.009 1.00 0.00 C ATOM 0 HA PRO A 43 34.348 -39.511 -0.012 1.00 0.00 H new ATOM 0 HB2 PRO A 43 32.193 -41.238 0.194 1.00 0.00 H new ATOM 0 HB3 PRO A 43 32.237 -39.657 0.948 1.00 0.00 H new ATOM 0 HG2 PRO A 43 30.685 -40.544 -1.405 1.00 0.00 H new ATOM 0 HG3 PRO A 43 30.435 -39.136 -0.393 1.00 0.00 H new ATOM 0 HD2 PRO A 43 31.606 -39.183 -3.011 1.00 0.00 H new ATOM 0 HD3 PRO A 43 31.460 -37.794 -1.953 1.00 0.00 H new ATOM 681 N ARG A 44 35.215 -41.658 -0.656 1.00 0.00 N ATOM 682 CA ARG A 44 35.909 -42.840 -1.138 1.00 0.00 C ATOM 683 C ARG A 44 35.788 -43.978 -0.124 1.00 0.00 C ATOM 684 O ARG A 44 36.645 -44.135 0.745 1.00 0.00 O ATOM 685 CB ARG A 44 37.389 -42.544 -1.389 1.00 0.00 C ATOM 686 CG ARG A 44 37.573 -41.687 -2.643 1.00 0.00 C ATOM 687 CD ARG A 44 38.838 -42.091 -3.404 1.00 0.00 C ATOM 688 NE ARG A 44 38.501 -42.422 -4.806 1.00 0.00 N ATOM 689 CZ ARG A 44 39.392 -42.844 -5.713 1.00 0.00 C ATOM 690 NH1 ARG A 44 40.680 -42.989 -5.371 1.00 0.00 N ATOM 691 NH2 ARG A 44 38.996 -43.121 -6.963 1.00 0.00 N ATOM 0 H ARG A 44 35.545 -41.307 0.243 1.00 0.00 H new ATOM 0 HA ARG A 44 35.444 -43.137 -2.078 1.00 0.00 H new ATOM 0 HB2 ARG A 44 37.811 -42.028 -0.527 1.00 0.00 H new ATOM 0 HB3 ARG A 44 37.937 -43.480 -1.500 1.00 0.00 H new ATOM 0 HG2 ARG A 44 36.704 -41.795 -3.292 1.00 0.00 H new ATOM 0 HG3 ARG A 44 37.633 -40.635 -2.363 1.00 0.00 H new ATOM 0 HD2 ARG A 44 39.563 -41.278 -3.378 1.00 0.00 H new ATOM 0 HD3 ARG A 44 39.304 -42.950 -2.921 1.00 0.00 H new ATOM 0 HE ARG A 44 37.529 -42.323 -5.100 1.00 0.00 H new ATOM 0 HH11 ARG A 44 40.982 -42.778 -4.420 1.00 0.00 H new ATOM 0 HH12 ARG A 44 41.358 -43.310 -6.062 1.00 0.00 H new ATOM 0 HH21 ARG A 44 38.016 -43.010 -7.224 1.00 0.00 H new ATOM 0 HH22 ARG A 44 39.674 -43.442 -7.654 1.00 0.00 H new ATOM 705 N GLY A 45 34.716 -44.745 -0.267 1.00 0.00 N ATOM 706 CA GLY A 45 34.471 -45.863 0.626 1.00 0.00 C ATOM 707 C GLY A 45 34.583 -47.195 -0.120 1.00 0.00 C ATOM 708 O GLY A 45 34.779 -47.216 -1.334 1.00 0.00 O ATOM 0 H GLY A 45 34.008 -44.613 -0.989 1.00 0.00 H new ATOM 0 HA2 GLY A 45 35.187 -45.841 1.447 1.00 0.00 H new ATOM 0 HA3 GLY A 45 33.478 -45.771 1.066 1.00 0.00 H new ATOM 712 N PRO A 46 34.450 -48.302 0.658 1.00 0.00 N ATOM 713 CA PRO A 46 34.220 -48.190 2.088 1.00 0.00 C ATOM 714 C PRO A 46 35.502 -47.787 2.820 1.00 0.00 C ATOM 715 O PRO A 46 36.602 -47.992 2.309 1.00 0.00 O ATOM 716 CB PRO A 46 33.697 -49.552 2.511 1.00 0.00 C ATOM 717 CG PRO A 46 34.092 -50.513 1.401 1.00 0.00 C ATOM 718 CD PRO A 46 34.515 -49.686 0.198 1.00 0.00 C ATOM 0 HA PRO A 46 33.503 -47.408 2.338 1.00 0.00 H new ATOM 0 HB2 PRO A 46 34.129 -49.857 3.464 1.00 0.00 H new ATOM 0 HB3 PRO A 46 32.615 -49.531 2.643 1.00 0.00 H new ATOM 0 HG2 PRO A 46 34.908 -51.158 1.727 1.00 0.00 H new ATOM 0 HG3 PRO A 46 33.256 -51.163 1.143 1.00 0.00 H new ATOM 0 HD2 PRO A 46 35.521 -49.948 -0.128 1.00 0.00 H new ATOM 0 HD3 PRO A 46 33.851 -49.853 -0.650 1.00 0.00 H new ATOM 726 N ARG A 47 35.317 -47.223 4.004 1.00 0.00 N ATOM 727 CA ARG A 47 36.445 -46.790 4.811 1.00 0.00 C ATOM 728 C ARG A 47 37.583 -47.809 4.722 1.00 0.00 C ATOM 729 O ARG A 47 37.476 -48.913 5.254 1.00 0.00 O ATOM 730 CB ARG A 47 36.040 -46.616 6.277 1.00 0.00 C ATOM 731 CG ARG A 47 36.987 -45.654 6.997 1.00 0.00 C ATOM 732 CD ARG A 47 36.206 -44.639 7.834 1.00 0.00 C ATOM 733 NE ARG A 47 35.643 -45.298 9.034 1.00 0.00 N ATOM 734 CZ ARG A 47 34.629 -44.803 9.757 1.00 0.00 C ATOM 735 NH1 ARG A 47 34.061 -43.641 9.406 1.00 0.00 N ATOM 736 NH2 ARG A 47 34.184 -45.470 10.830 1.00 0.00 N ATOM 0 H ARG A 47 34.403 -47.056 4.424 1.00 0.00 H new ATOM 0 HA ARG A 47 36.781 -45.829 4.422 1.00 0.00 H new ATOM 0 HB2 ARG A 47 35.019 -46.238 6.334 1.00 0.00 H new ATOM 0 HB3 ARG A 47 36.049 -47.584 6.778 1.00 0.00 H new ATOM 0 HG2 ARG A 47 37.663 -46.217 7.640 1.00 0.00 H new ATOM 0 HG3 ARG A 47 37.604 -45.130 6.266 1.00 0.00 H new ATOM 0 HD2 ARG A 47 36.861 -43.820 8.132 1.00 0.00 H new ATOM 0 HD3 ARG A 47 35.404 -44.204 7.238 1.00 0.00 H new ATOM 0 HE ARG A 47 36.052 -46.184 9.329 1.00 0.00 H new ATOM 0 HH11 ARG A 47 34.400 -43.134 8.589 1.00 0.00 H new ATOM 0 HH12 ARG A 47 33.289 -43.264 9.956 1.00 0.00 H new ATOM 0 HH21 ARG A 47 34.617 -46.354 11.097 1.00 0.00 H new ATOM 0 HH22 ARG A 47 33.412 -45.094 11.381 1.00 0.00 H new ATOM 750 N GLY A 48 38.647 -47.402 4.046 1.00 0.00 N ATOM 751 CA GLY A 48 39.804 -48.265 3.881 1.00 0.00 C ATOM 752 C GLY A 48 40.430 -48.610 5.234 1.00 0.00 C ATOM 753 O GLY A 48 39.887 -48.257 6.280 1.00 0.00 O ATOM 0 H GLY A 48 38.732 -46.486 3.606 1.00 0.00 H new ATOM 0 HA2 GLY A 48 39.509 -49.181 3.369 1.00 0.00 H new ATOM 0 HA3 GLY A 48 40.543 -47.771 3.250 1.00 0.00 H new ATOM 757 N PRO A 49 41.592 -49.312 5.167 1.00 0.00 N ATOM 758 CA PRO A 49 42.297 -49.708 6.374 1.00 0.00 C ATOM 759 C PRO A 49 43.015 -48.515 7.007 1.00 0.00 C ATOM 760 O PRO A 49 44.243 -48.462 7.025 1.00 0.00 O ATOM 761 CB PRO A 49 43.249 -50.808 5.931 1.00 0.00 C ATOM 762 CG PRO A 49 43.376 -50.666 4.423 1.00 0.00 C ATOM 763 CD PRO A 49 42.263 -49.747 3.946 1.00 0.00 C ATOM 0 HA PRO A 49 41.626 -50.070 7.153 1.00 0.00 H new ATOM 0 HB2 PRO A 49 44.219 -50.704 6.416 1.00 0.00 H new ATOM 0 HB3 PRO A 49 42.862 -51.791 6.200 1.00 0.00 H new ATOM 0 HG2 PRO A 49 44.350 -50.255 4.159 1.00 0.00 H new ATOM 0 HG3 PRO A 49 43.300 -51.640 3.940 1.00 0.00 H new ATOM 0 HD2 PRO A 49 42.661 -48.899 3.389 1.00 0.00 H new ATOM 0 HD3 PRO A 49 41.575 -50.270 3.281 1.00 0.00 H new ATOM 771 N ARG A 50 42.217 -47.584 7.510 1.00 0.00 N ATOM 772 CA ARG A 50 42.761 -46.394 8.142 1.00 0.00 C ATOM 773 C ARG A 50 41.813 -45.892 9.233 1.00 0.00 C ATOM 774 O ARG A 50 40.597 -46.021 9.110 1.00 0.00 O ATOM 775 CB ARG A 50 42.984 -45.279 7.117 1.00 0.00 C ATOM 776 CG ARG A 50 41.651 -44.697 6.642 1.00 0.00 C ATOM 777 CD ARG A 50 41.281 -43.447 7.443 1.00 0.00 C ATOM 778 NE ARG A 50 41.457 -42.239 6.606 1.00 0.00 N ATOM 779 CZ ARG A 50 40.622 -41.880 5.622 1.00 0.00 C ATOM 780 NH1 ARG A 50 39.548 -42.633 5.345 1.00 0.00 N ATOM 781 NH2 ARG A 50 40.859 -40.767 4.914 1.00 0.00 N ATOM 0 H ARG A 50 41.198 -47.630 7.493 1.00 0.00 H new ATOM 0 HA ARG A 50 43.720 -46.663 8.585 1.00 0.00 H new ATOM 0 HB2 ARG A 50 43.593 -44.490 7.559 1.00 0.00 H new ATOM 0 HB3 ARG A 50 43.539 -45.670 6.264 1.00 0.00 H new ATOM 0 HG2 ARG A 50 41.716 -44.448 5.583 1.00 0.00 H new ATOM 0 HG3 ARG A 50 40.866 -45.446 6.746 1.00 0.00 H new ATOM 0 HD2 ARG A 50 40.248 -43.516 7.784 1.00 0.00 H new ATOM 0 HD3 ARG A 50 41.906 -43.377 8.333 1.00 0.00 H new ATOM 0 HE ARG A 50 42.264 -41.643 6.790 1.00 0.00 H new ATOM 0 HH11 ARG A 50 39.366 -43.480 5.884 1.00 0.00 H new ATOM 0 HH12 ARG A 50 38.913 -42.359 4.596 1.00 0.00 H new ATOM 0 HH21 ARG A 50 41.675 -40.193 5.124 1.00 0.00 H new ATOM 0 HH22 ARG A 50 40.223 -40.494 4.165 1.00 0.00 H new ATOM 795 N PRO A 51 42.422 -45.315 10.303 1.00 0.00 N ATOM 796 CA PRO A 51 41.646 -44.793 11.415 1.00 0.00 C ATOM 797 C PRO A 51 40.974 -43.471 11.042 1.00 0.00 C ATOM 798 O PRO A 51 41.579 -42.628 10.379 1.00 0.00 O ATOM 799 CB PRO A 51 42.640 -44.652 12.557 1.00 0.00 C ATOM 800 CG PRO A 51 44.017 -44.658 11.914 1.00 0.00 C ATOM 801 CD PRO A 51 43.861 -45.144 10.482 1.00 0.00 C ATOM 0 HA PRO A 51 40.824 -45.450 11.699 1.00 0.00 H new ATOM 0 HB2 PRO A 51 42.471 -43.728 13.110 1.00 0.00 H new ATOM 0 HB3 PRO A 51 42.537 -45.472 13.268 1.00 0.00 H new ATOM 0 HG2 PRO A 51 44.451 -43.658 11.933 1.00 0.00 H new ATOM 0 HG3 PRO A 51 44.694 -45.310 12.467 1.00 0.00 H new ATOM 0 HD2 PRO A 51 44.265 -44.422 9.773 1.00 0.00 H new ATOM 0 HD3 PRO A 51 44.394 -46.081 10.322 1.00 0.00 H new ATOM 809 N GLN A 52 39.732 -43.329 11.481 1.00 0.00 N ATOM 810 CA GLN A 52 38.971 -42.124 11.202 1.00 0.00 C ATOM 811 C GLN A 52 37.885 -41.924 12.260 1.00 0.00 C ATOM 812 O GLN A 52 37.068 -42.814 12.492 1.00 0.00 O ATOM 813 CB GLN A 52 38.366 -42.171 9.797 1.00 0.00 C ATOM 814 CG GLN A 52 37.818 -40.802 9.390 1.00 0.00 C ATOM 815 CD GLN A 52 36.395 -40.922 8.841 1.00 0.00 C ATOM 816 OE1 GLN A 52 36.171 -41.295 7.702 1.00 0.00 O ATOM 817 NE2 GLN A 52 35.449 -40.586 9.714 1.00 0.00 N ATOM 0 H GLN A 52 39.233 -44.030 12.029 1.00 0.00 H new ATOM 0 HA GLN A 52 39.650 -41.272 11.242 1.00 0.00 H new ATOM 0 HB2 GLN A 52 39.124 -42.491 9.082 1.00 0.00 H new ATOM 0 HB3 GLN A 52 37.566 -42.911 9.766 1.00 0.00 H new ATOM 0 HG2 GLN A 52 37.824 -40.133 10.251 1.00 0.00 H new ATOM 0 HG3 GLN A 52 38.466 -40.356 8.635 1.00 0.00 H new ATOM 0 HE21 GLN A 52 35.706 -40.282 10.653 1.00 0.00 H new ATOM 0 HE22 GLN A 52 34.466 -40.633 9.444 1.00 0.00 H new ATOM 826 N THR A 53 37.910 -40.750 12.874 1.00 0.00 N ATOM 827 CA THR A 53 36.937 -40.422 13.902 1.00 0.00 C ATOM 828 C THR A 53 36.546 -38.946 13.815 1.00 0.00 C ATOM 829 O THR A 53 37.367 -38.066 14.074 1.00 0.00 O ATOM 830 CB THR A 53 37.530 -40.816 15.257 1.00 0.00 C ATOM 831 OG1 THR A 53 37.154 -42.181 15.417 1.00 0.00 O ATOM 832 CG2 THR A 53 36.848 -40.101 16.425 1.00 0.00 C ATOM 0 H THR A 53 38.589 -40.014 12.679 1.00 0.00 H new ATOM 0 HA THR A 53 36.011 -40.979 13.762 1.00 0.00 H new ATOM 0 HB THR A 53 38.596 -40.589 15.266 1.00 0.00 H new ATOM 0 HG1 THR A 53 36.925 -42.562 14.544 1.00 0.00 H new ATOM 0 HG21 THR A 53 37.306 -40.416 17.362 1.00 0.00 H new ATOM 0 HG22 THR A 53 36.963 -39.023 16.309 1.00 0.00 H new ATOM 0 HG23 THR A 53 35.788 -40.353 16.437 1.00 0.00 H new ATOM 840 N SER A 54 35.294 -38.718 13.452 1.00 0.00 N ATOM 841 CA SER A 54 34.784 -37.363 13.328 1.00 0.00 C ATOM 842 C SER A 54 33.660 -37.131 14.341 1.00 0.00 C ATOM 843 O SER A 54 32.726 -37.926 14.429 1.00 0.00 O ATOM 844 CB SER A 54 34.283 -37.090 11.908 1.00 0.00 C ATOM 845 OG SER A 54 35.348 -37.067 10.962 1.00 0.00 O ATOM 0 H SER A 54 34.616 -39.450 13.239 1.00 0.00 H new ATOM 0 HA SER A 54 35.600 -36.671 13.536 1.00 0.00 H new ATOM 0 HB2 SER A 54 33.562 -37.857 11.624 1.00 0.00 H new ATOM 0 HB3 SER A 54 33.758 -36.135 11.886 1.00 0.00 H new ATOM 0 HG SER A 54 34.987 -36.892 10.068 1.00 0.00 H new ATOM 851 N LEU A 55 33.790 -36.039 15.080 1.00 0.00 N ATOM 852 CA LEU A 55 32.796 -35.693 16.083 1.00 0.00 C ATOM 853 C LEU A 55 33.124 -34.316 16.664 1.00 0.00 C ATOM 854 O LEU A 55 34.201 -33.775 16.418 1.00 0.00 O ATOM 855 CB LEU A 55 32.693 -36.796 17.138 1.00 0.00 C ATOM 856 CG LEU A 55 33.725 -36.745 18.266 1.00 0.00 C ATOM 857 CD1 LEU A 55 33.055 -36.922 19.630 1.00 0.00 C ATOM 858 CD2 LEU A 55 34.839 -37.767 18.038 1.00 0.00 C ATOM 0 H LEU A 55 34.567 -35.383 15.005 1.00 0.00 H new ATOM 0 HA LEU A 55 31.807 -35.623 15.631 1.00 0.00 H new ATOM 0 HB2 LEU A 55 31.698 -36.756 17.581 1.00 0.00 H new ATOM 0 HB3 LEU A 55 32.780 -37.760 16.637 1.00 0.00 H new ATOM 0 HG LEU A 55 34.188 -35.758 18.260 1.00 0.00 H new ATOM 0 HD11 LEU A 55 33.811 -36.882 20.415 1.00 0.00 H new ATOM 0 HD12 LEU A 55 32.329 -36.124 19.785 1.00 0.00 H new ATOM 0 HD13 LEU A 55 32.548 -37.886 19.664 1.00 0.00 H new ATOM 0 HD21 LEU A 55 35.559 -37.709 18.855 1.00 0.00 H new ATOM 0 HD22 LEU A 55 34.412 -38.769 18.001 1.00 0.00 H new ATOM 0 HD23 LEU A 55 35.342 -37.553 17.095 1.00 0.00 H new ATOM 870 N LEU A 56 32.175 -33.789 17.424 1.00 0.00 N ATOM 871 CA LEU A 56 32.350 -32.486 18.042 1.00 0.00 C ATOM 872 C LEU A 56 33.399 -32.588 19.151 1.00 0.00 C ATOM 873 O LEU A 56 34.582 -32.781 18.875 1.00 0.00 O ATOM 874 CB LEU A 56 31.004 -31.934 18.518 1.00 0.00 C ATOM 875 CG LEU A 56 30.663 -30.514 18.064 1.00 0.00 C ATOM 876 CD1 LEU A 56 29.148 -30.309 17.995 1.00 0.00 C ATOM 877 CD2 LEU A 56 31.342 -29.475 18.959 1.00 0.00 C ATOM 0 H LEU A 56 31.283 -34.241 17.626 1.00 0.00 H new ATOM 0 HA LEU A 56 32.725 -31.767 17.314 1.00 0.00 H new ATOM 0 HB2 LEU A 56 30.216 -32.604 18.172 1.00 0.00 H new ATOM 0 HB3 LEU A 56 30.988 -31.959 19.608 1.00 0.00 H new ATOM 0 HG LEU A 56 31.053 -30.375 17.056 1.00 0.00 H new ATOM 0 HD11 LEU A 56 28.933 -29.291 17.670 1.00 0.00 H new ATOM 0 HD12 LEU A 56 28.717 -31.015 17.285 1.00 0.00 H new ATOM 0 HD13 LEU A 56 28.713 -30.474 18.981 1.00 0.00 H new ATOM 0 HD21 LEU A 56 31.083 -28.474 18.615 1.00 0.00 H new ATOM 0 HD22 LEU A 56 31.004 -29.604 19.987 1.00 0.00 H new ATOM 0 HD23 LEU A 56 32.423 -29.606 18.913 1.00 0.00 H new TER 889 LEU A 56 ATOM 890 P A B 493 21.067 -31.395 -4.726 1.00 0.00 P ATOM 891 OP1 A B 493 20.366 -32.148 -3.662 1.00 0.00 O ATOM 892 OP2 A B 493 20.298 -30.359 -5.449 1.00 0.00 O ATOM 893 O5' A B 493 22.350 -30.695 -4.074 1.00 0.00 O ATOM 894 C5' A B 493 22.263 -29.356 -3.593 1.00 0.00 C ATOM 895 C4' A B 493 23.166 -29.175 -2.393 1.00 0.00 C ATOM 896 O4' A B 493 22.966 -30.250 -1.456 1.00 0.00 O ATOM 897 C3' A B 493 24.617 -29.584 -2.630 1.00 0.00 C ATOM 898 O3' A B 493 25.292 -28.548 -3.340 1.00 0.00 O ATOM 899 C2' A B 493 25.202 -29.786 -1.260 1.00 0.00 C ATOM 900 O2' A B 493 25.505 -28.470 -0.855 1.00 0.00 O ATOM 901 C1' A B 493 24.023 -30.437 -0.541 1.00 0.00 C ATOM 902 N9 A B 493 24.230 -31.871 -0.249 1.00 0.00 N ATOM 903 C8 A B 493 24.539 -32.850 -1.125 1.00 0.00 C ATOM 904 N7 A B 493 24.657 -34.039 -0.544 1.00 0.00 N ATOM 905 C5 A B 493 24.406 -33.787 0.776 1.00 0.00 C ATOM 906 C6 A B 493 24.380 -34.637 1.903 1.00 0.00 C ATOM 907 N6 A B 493 24.621 -35.972 1.864 1.00 0.00 N ATOM 908 N1 A B 493 24.092 -34.071 3.107 1.00 0.00 N ATOM 909 C2 A B 493 23.851 -32.743 3.155 1.00 0.00 C ATOM 910 N3 A B 493 23.849 -31.843 2.154 1.00 0.00 N ATOM 911 C4 A B 493 24.143 -32.469 0.981 1.00 0.00 C ATOM 0 H5' A B 493 21.233 -29.125 -3.321 1.00 0.00 H new ATOM 0 H5'' A B 493 22.548 -28.659 -4.381 1.00 0.00 H new ATOM 0 H4' A B 493 22.969 -28.138 -2.121 1.00 0.00 H new ATOM 0 H3' A B 493 24.710 -30.490 -3.229 1.00 0.00 H new ATOM 0 H2' A B 493 26.096 -30.392 -1.115 1.00 0.00 H new ATOM 0 HO2' A B 493 25.594 -27.897 -1.645 1.00 0.00 H new ATOM 0 H1' A B 493 23.849 -29.999 0.442 1.00 0.00 H new ATOM 0 H8 A B 493 24.676 -32.685 -2.184 1.00 0.00 H new ATOM 0 H61 A B 493 24.584 -36.522 2.722 1.00 0.00 H new ATOM 0 H62 A B 493 24.839 -36.425 0.977 1.00 0.00 H new ATOM 0 H2 A B 493 23.628 -32.347 4.135 1.00 0.00 H new ATOM 923 P A B 494 25.462 -28.646 -4.928 1.00 0.00 P ATOM 924 OP1 A B 494 25.793 -27.312 -5.477 1.00 0.00 O ATOM 925 OP2 A B 494 24.301 -29.355 -5.510 1.00 0.00 O ATOM 926 O5' A B 494 26.748 -29.582 -5.095 1.00 0.00 O ATOM 927 C5' A B 494 27.289 -29.827 -6.392 1.00 0.00 C ATOM 928 C4' A B 494 27.634 -31.291 -6.544 1.00 0.00 C ATOM 929 O4' A B 494 28.985 -31.539 -6.132 1.00 0.00 O ATOM 930 C3' A B 494 26.789 -32.230 -5.686 1.00 0.00 C ATOM 931 O3' A B 494 26.140 -33.183 -6.527 1.00 0.00 O ATOM 932 C2' A B 494 27.760 -32.893 -4.749 1.00 0.00 C ATOM 933 O2' A B 494 28.022 -34.121 -5.390 1.00 0.00 O ATOM 934 C1' A B 494 28.906 -31.886 -4.769 1.00 0.00 C ATOM 935 N9 A B 494 28.660 -30.695 -3.928 1.00 0.00 N ATOM 936 C8 A B 494 27.897 -30.620 -2.819 1.00 0.00 C ATOM 937 N7 A B 494 27.878 -29.400 -2.290 1.00 0.00 N ATOM 938 C5 A B 494 28.682 -28.669 -3.124 1.00 0.00 C ATOM 939 C6 A B 494 29.062 -27.311 -3.101 1.00 0.00 C ATOM 940 N6 A B 494 28.660 -26.415 -2.163 1.00 0.00 N ATOM 941 N1 A B 494 29.889 -26.876 -4.090 1.00 0.00 N ATOM 942 C2 A B 494 30.294 -27.760 -5.029 1.00 0.00 C ATOM 943 N3 A B 494 29.997 -29.068 -5.147 1.00 0.00 N ATOM 944 C4 A B 494 29.169 -29.440 -4.131 1.00 0.00 C ATOM 0 H5' A B 494 28.180 -29.218 -6.544 1.00 0.00 H new ATOM 0 H5'' A B 494 26.569 -29.534 -7.156 1.00 0.00 H new ATOM 0 H4' A B 494 27.455 -31.492 -7.600 1.00 0.00 H new ATOM 0 H3' A B 494 26.007 -31.711 -5.131 1.00 0.00 H new ATOM 0 H2' A B 494 27.485 -33.111 -3.717 1.00 0.00 H new ATOM 0 HO2' A B 494 28.990 -34.262 -5.444 1.00 0.00 H new ATOM 0 H1' A B 494 29.825 -32.304 -4.358 1.00 0.00 H new ATOM 0 H8 A B 494 27.359 -31.460 -2.405 1.00 0.00 H new ATOM 0 H61 A B 494 28.978 -25.447 -2.213 1.00 0.00 H new ATOM 0 H62 A B 494 28.040 -26.710 -1.409 1.00 0.00 H new ATOM 0 H2 A B 494 30.947 -27.361 -5.791 1.00 0.00 H new ATOM 956 P C B 495 25.182 -32.685 -7.707 1.00 0.00 P ATOM 957 OP1 C B 495 25.363 -31.232 -7.918 1.00 0.00 O ATOM 958 OP2 C B 495 23.805 -33.173 -7.470 1.00 0.00 O ATOM 959 O5' C B 495 25.763 -33.448 -8.988 1.00 0.00 O ATOM 960 C5' C B 495 26.529 -32.734 -9.956 1.00 0.00 C ATOM 961 C4' C B 495 27.314 -33.701 -10.813 1.00 0.00 C ATOM 962 O4' C B 495 28.325 -34.367 -10.044 1.00 0.00 O ATOM 963 C3' C B 495 26.556 -34.973 -11.184 1.00 0.00 C ATOM 964 O3' C B 495 25.724 -34.718 -12.314 1.00 0.00 O ATOM 965 C2' C B 495 27.618 -35.990 -11.498 1.00 0.00 C ATOM 966 O2' C B 495 28.025 -35.622 -12.797 1.00 0.00 O ATOM 967 C1' C B 495 28.625 -35.701 -10.388 1.00 0.00 C ATOM 968 N1 C B 495 28.490 -36.597 -9.221 1.00 0.00 N ATOM 969 C2 C B 495 28.870 -37.929 -9.380 1.00 0.00 C ATOM 970 O2 C B 495 29.301 -38.296 -10.479 1.00 0.00 O ATOM 971 N3 C B 495 28.756 -38.764 -8.331 1.00 0.00 N ATOM 972 C4 C B 495 28.296 -38.358 -7.166 1.00 0.00 C ATOM 973 N4 C B 495 28.191 -39.197 -6.143 1.00 0.00 N ATOM 974 C5 C B 495 27.894 -36.982 -6.975 1.00 0.00 C ATOM 975 C6 C B 495 28.013 -36.162 -8.029 1.00 0.00 C ATOM 0 H5' C B 495 27.209 -32.044 -9.456 1.00 0.00 H new ATOM 0 H5'' C B 495 25.869 -32.134 -10.582 1.00 0.00 H new ATOM 0 H4' C B 495 27.615 -33.064 -11.645 1.00 0.00 H new ATOM 0 H3' C B 495 25.904 -35.327 -10.386 1.00 0.00 H new ATOM 0 H2' C B 495 27.389 -37.056 -11.512 1.00 0.00 H new ATOM 0 HO2' C B 495 27.650 -36.251 -13.448 1.00 0.00 H new ATOM 0 H1' C B 495 29.652 -35.861 -10.715 1.00 0.00 H new ATOM 0 H41 C B 495 27.833 -38.866 -5.247 1.00 0.00 H new ATOM 0 H42 C B 495 28.469 -40.172 -6.253 1.00 0.00 H new ATOM 0 H5 C B 495 27.515 -36.631 -6.026 1.00 0.00 H new ATOM 0 H6 C B 495 27.721 -35.127 -7.926 1.00 0.00 H new ATOM 987 P A B 496 25.010 -35.933 -13.072 1.00 0.00 P ATOM 988 OP1 A B 496 23.942 -36.496 -12.215 1.00 0.00 O ATOM 989 OP2 A B 496 26.033 -36.868 -13.589 1.00 0.00 O ATOM 990 O5' A B 496 24.316 -35.218 -14.323 1.00 0.00 O ATOM 991 C5' A B 496 24.455 -35.774 -15.629 1.00 0.00 C ATOM 992 C4' A B 496 25.195 -34.809 -16.527 1.00 0.00 C ATOM 993 O4' A B 496 25.310 -33.583 -15.786 1.00 0.00 O ATOM 994 C3' A B 496 26.710 -34.994 -16.537 1.00 0.00 C ATOM 995 O3' A B 496 27.056 -36.031 -17.452 1.00 0.00 O ATOM 996 C2' A B 496 27.269 -33.668 -16.971 1.00 0.00 C ATOM 997 O2' A B 496 27.155 -33.727 -18.375 1.00 0.00 O ATOM 998 C1' A B 496 26.305 -32.712 -16.274 1.00 0.00 C ATOM 999 N9 A B 496 26.927 -31.943 -15.176 1.00 0.00 N ATOM 1000 C8 A B 496 27.153 -32.357 -13.911 1.00 0.00 C ATOM 1001 N7 A B 496 27.731 -31.423 -13.162 1.00 0.00 N ATOM 1002 C5 A B 496 27.876 -30.361 -14.014 1.00 0.00 C ATOM 1003 C6 A B 496 28.421 -29.075 -13.819 1.00 0.00 C ATOM 1004 N6 A B 496 28.942 -28.630 -12.647 1.00 0.00 N ATOM 1005 N1 A B 496 28.420 -28.226 -14.883 1.00 0.00 N ATOM 1006 C2 A B 496 27.903 -28.661 -16.053 1.00 0.00 C ATOM 1007 N3 A B 496 27.361 -29.856 -16.351 1.00 0.00 N ATOM 1008 C4 A B 496 27.392 -30.656 -15.249 1.00 0.00 C ATOM 0 H5' A B 496 23.472 -35.991 -16.047 1.00 0.00 H new ATOM 0 H5'' A B 496 24.995 -36.720 -15.575 1.00 0.00 H new ATOM 0 H4' A B 496 24.687 -34.890 -17.488 1.00 0.00 H new ATOM 0 H3' A B 496 27.108 -35.284 -15.565 1.00 0.00 H new ATOM 0 H2' A B 496 28.295 -33.386 -16.734 1.00 0.00 H new ATOM 0 HO2' A B 496 27.097 -34.663 -18.659 1.00 0.00 H new ATOM 0 H1' A B 496 25.935 -31.940 -16.949 1.00 0.00 H new ATOM 0 H8 A B 496 26.893 -33.340 -13.547 1.00 0.00 H new ATOM 0 H61 A B 496 29.319 -27.684 -12.583 1.00 0.00 H new ATOM 0 H62 A B 496 28.956 -29.241 -11.831 1.00 0.00 H new ATOM 0 H2 A B 496 27.928 -27.948 -16.864 1.00 0.00 H new ATOM 1020 P G B 497 27.162 -37.545 -16.943 1.00 0.00 P ATOM 1021 OP1 G B 497 25.829 -38.185 -17.001 1.00 0.00 O ATOM 1022 OP2 G B 497 27.883 -37.586 -15.651 1.00 0.00 O ATOM 1023 O5' G B 497 28.089 -38.233 -18.050 1.00 0.00 O ATOM 1024 C5' G B 497 27.854 -37.982 -19.434 1.00 0.00 C ATOM 1025 C4' G B 497 29.126 -37.504 -20.099 1.00 0.00 C ATOM 1026 O4' G B 497 29.462 -36.225 -19.477 1.00 0.00 O ATOM 1027 C3' G B 497 30.388 -38.229 -19.640 1.00 0.00 C ATOM 1028 O3' G B 497 30.601 -39.374 -20.461 1.00 0.00 O ATOM 1029 C2' G B 497 31.498 -37.226 -19.791 1.00 0.00 C ATOM 1030 O2' G B 497 31.727 -37.225 -21.183 1.00 0.00 O ATOM 1031 C1' G B 497 30.828 -35.973 -19.236 1.00 0.00 C ATOM 1032 N9 G B 497 31.085 -35.756 -17.797 1.00 0.00 N ATOM 1033 C8 G B 497 30.486 -36.374 -16.756 1.00 0.00 C ATOM 1034 N7 G B 497 30.942 -35.953 -15.580 1.00 0.00 N ATOM 1035 C5 G B 497 31.884 -35.015 -15.909 1.00 0.00 C ATOM 1036 C6 G B 497 32.720 -34.209 -15.107 1.00 0.00 C ATOM 1037 O6 G B 497 32.747 -34.213 -13.878 1.00 0.00 O ATOM 1038 N1 G B 497 33.567 -33.357 -15.746 1.00 0.00 N ATOM 1039 C2 G B 497 33.558 -33.331 -17.097 1.00 0.00 C ATOM 1040 N2 G B 497 34.437 -32.450 -17.570 1.00 0.00 N ATOM 1041 N3 G B 497 32.809 -34.048 -17.956 1.00 0.00 N ATOM 1042 C4 G B 497 31.988 -34.878 -17.257 1.00 0.00 C ATOM 0 H5' G B 497 27.071 -37.232 -19.548 1.00 0.00 H new ATOM 0 H5'' G B 497 27.499 -38.890 -19.921 1.00 0.00 H new ATOM 0 H4' G B 497 28.928 -37.581 -21.168 1.00 0.00 H new ATOM 0 H3' G B 497 30.324 -38.585 -18.612 1.00 0.00 H new ATOM 0 H2' G B 497 32.458 -37.373 -19.297 1.00 0.00 H new ATOM 0 HO2' G B 497 31.472 -38.094 -21.557 1.00 0.00 H new ATOM 0 H1' G B 497 31.207 -35.064 -19.704 1.00 0.00 H new ATOM 0 H8 G B 497 29.720 -37.128 -16.867 1.00 0.00 H new ATOM 0 H1 G B 497 34.195 -32.752 -15.217 1.00 0.00 H new ATOM 0 H21 G B 497 34.540 -32.322 -18.577 1.00 0.00 H new ATOM 0 H22 G B 497 35.008 -31.903 -16.926 1.00 0.00 H new ATOM 1054 P U B 498 31.256 -40.695 -19.837 1.00 0.00 P ATOM 1055 OP1 U B 498 30.762 -40.891 -18.457 1.00 0.00 O ATOM 1056 OP2 U B 498 32.721 -40.669 -20.042 1.00 0.00 O ATOM 1057 O5' U B 498 30.650 -41.861 -20.750 1.00 0.00 O ATOM 1058 C5' U B 498 30.304 -43.117 -20.166 1.00 0.00 C ATOM 1059 C4' U B 498 31.315 -44.169 -20.561 1.00 0.00 C ATOM 1060 O4' U B 498 32.287 -43.500 -21.418 1.00 0.00 O ATOM 1061 C3' U B 498 32.385 -44.443 -19.507 1.00 0.00 C ATOM 1062 O3' U B 498 31.868 -45.367 -18.537 1.00 0.00 O ATOM 1063 C2' U B 498 33.546 -45.027 -20.263 1.00 0.00 C ATOM 1064 O2' U B 498 33.158 -46.371 -20.439 1.00 0.00 O ATOM 1065 C1' U B 498 33.525 -44.167 -21.524 1.00 0.00 C ATOM 1066 N1 U B 498 34.646 -43.206 -21.600 1.00 0.00 N ATOM 1067 C2 U B 498 35.441 -43.295 -22.700 1.00 0.00 C ATOM 1068 O2 U B 498 35.273 -44.108 -23.595 1.00 0.00 O ATOM 1069 N3 U B 498 36.486 -42.401 -22.774 1.00 0.00 N ATOM 1070 C4 U B 498 36.746 -41.456 -21.814 1.00 0.00 C ATOM 1071 O4 U B 498 37.708 -40.708 -21.983 1.00 0.00 O ATOM 1072 C5 U B 498 35.885 -41.407 -20.686 1.00 0.00 C ATOM 1073 C6 U B 498 34.878 -42.283 -20.635 1.00 0.00 C ATOM 0 H5' U B 498 29.308 -43.417 -20.493 1.00 0.00 H new ATOM 0 H5'' U B 498 30.269 -43.025 -19.080 1.00 0.00 H new ATOM 0 H4' U B 498 30.708 -45.017 -20.878 1.00 0.00 H new ATOM 0 H3' U B 498 32.688 -43.548 -18.964 1.00 0.00 H new ATOM 0 H2' U B 498 34.550 -45.026 -19.839 1.00 0.00 H new ATOM 0 HO2' U B 498 32.510 -46.618 -19.747 1.00 0.00 H new ATOM 0 HO3' U B 498 32.553 -45.547 -17.859 1.00 0.00 H new ATOM 0 H1' U B 498 33.638 -44.763 -22.429 1.00 0.00 H new ATOM 0 H3 U B 498 37.100 -42.444 -23.587 1.00 0.00 H new ATOM 0 H5 U B 498 36.039 -40.686 -19.897 1.00 0.00 H new ATOM 0 H6 U B 498 34.216 -42.254 -19.782 1.00 0.00 H new TER 1084 U B 498 HETATM 1085 ZN ZN A 57 36.416 -32.081 -8.418 1.00 0.00 ZN