USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 424 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 Set 1.1: A 13 GLN : amide:sc= 0.439 K(o=2.5,f=-1.7) USER MOD Set 1.2: A 48 LYS NZ :NH3+ -116:sc= 2.08 (180deg=0.627) USER MOD Single : A 1 GLY N :NH3+ 178:sc= -1.36! (180deg=-1.37!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -169:sc= 1.23 USER MOD Single : A 16 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0795) USER MOD Single : A 17 ASN : amide:sc= -1.76! C(o=-1.8!,f=-5!) USER MOD Single : A 20 HIS : no HD1:sc= -0.477 X(o=-0.48,f=-0.2) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=-0.0016) USER MOD Single : A 35 HIS : no HD1:sc= -1.46 K(o=-1.5,f=-4.8!) USER MOD Single : A 37 LYS NZ :NH3+ 170:sc=-0.00109 (180deg=-0.0869) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 171:sc= -0.191 (180deg=-0.388) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.646 -10.187 0.699 1.00 0.00 N ATOM 2 CA GLY A 1 10.598 -11.083 0.028 1.00 0.00 C ATOM 3 C GLY A 1 11.488 -11.788 1.017 1.00 0.00 C ATOM 4 O GLY A 1 12.026 -11.156 1.926 1.00 0.00 O ATOM 0 H1 GLY A 1 9.072 -9.693 -0.014 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.024 -10.743 1.319 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.167 -9.489 1.268 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.052 -11.820 -0.561 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.210 -10.509 -0.668 1.00 0.00 H new ATOM 10 N SER A 2 11.650 -13.095 0.836 1.00 0.00 N ATOM 11 CA SER A 2 12.464 -13.915 1.724 1.00 0.00 C ATOM 12 C SER A 2 13.930 -13.473 1.693 1.00 0.00 C ATOM 13 O SER A 2 14.697 -13.764 2.614 1.00 0.00 O ATOM 14 CB SER A 2 12.348 -15.379 1.309 1.00 0.00 C ATOM 15 OG SER A 2 10.984 -15.770 1.198 1.00 0.00 O ATOM 0 H SER A 2 11.221 -13.614 0.070 1.00 0.00 H new ATOM 0 HA SER A 2 12.099 -13.793 2.744 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.853 -15.532 0.355 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.853 -16.010 2.041 1.00 0.00 H new ATOM 0 HG SER A 2 10.934 -16.711 0.929 1.00 0.00 H new ATOM 21 N VAL A 3 14.311 -12.794 0.612 1.00 0.00 N ATOM 22 CA VAL A 3 15.659 -12.273 0.466 1.00 0.00 C ATOM 23 C VAL A 3 16.077 -11.432 1.686 1.00 0.00 C ATOM 24 O VAL A 3 17.190 -11.593 2.199 1.00 0.00 O ATOM 25 CB VAL A 3 15.827 -11.452 -0.847 1.00 0.00 C ATOM 26 CG1 VAL A 3 14.848 -10.285 -0.910 1.00 0.00 C ATOM 27 CG2 VAL A 3 17.259 -10.968 -0.991 1.00 0.00 C ATOM 0 H VAL A 3 13.697 -12.594 -0.177 1.00 0.00 H new ATOM 0 HA VAL A 3 16.322 -13.136 0.406 1.00 0.00 H new ATOM 0 HB VAL A 3 15.598 -12.112 -1.684 1.00 0.00 H new ATOM 0 HG11 VAL A 3 14.996 -9.736 -1.840 1.00 0.00 H new ATOM 0 HG12 VAL A 3 13.827 -10.664 -0.871 1.00 0.00 H new ATOM 0 HG13 VAL A 3 15.021 -9.619 -0.064 1.00 0.00 H new ATOM 0 HG21 VAL A 3 17.359 -10.396 -1.914 1.00 0.00 H new ATOM 0 HG22 VAL A 3 17.516 -10.335 -0.142 1.00 0.00 H new ATOM 0 HG23 VAL A 3 17.932 -11.825 -1.021 1.00 0.00 H new ATOM 37 N GLU A 4 15.167 -10.548 2.152 1.00 0.00 N ATOM 38 CA GLU A 4 15.416 -9.701 3.324 1.00 0.00 C ATOM 39 C GLU A 4 16.748 -8.945 3.192 1.00 0.00 C ATOM 40 O GLU A 4 17.606 -9.039 4.068 1.00 0.00 O ATOM 41 CB GLU A 4 15.429 -10.554 4.595 1.00 0.00 C ATOM 42 CG GLU A 4 14.111 -11.247 4.887 1.00 0.00 C ATOM 43 CD GLU A 4 14.216 -12.218 6.036 1.00 0.00 C ATOM 44 OE1 GLU A 4 14.327 -13.440 5.783 1.00 0.00 O ATOM 45 OE2 GLU A 4 14.215 -11.777 7.197 1.00 0.00 O ATOM 0 H GLU A 4 14.251 -10.407 1.727 1.00 0.00 H new ATOM 0 HA GLU A 4 14.612 -8.968 3.386 1.00 0.00 H new ATOM 0 HB2 GLU A 4 16.212 -11.307 4.507 1.00 0.00 H new ATOM 0 HB3 GLU A 4 15.690 -9.921 5.443 1.00 0.00 H new ATOM 0 HG2 GLU A 4 13.352 -10.498 5.115 1.00 0.00 H new ATOM 0 HG3 GLU A 4 13.777 -11.778 3.995 1.00 0.00 H new ATOM 52 N LYS A 5 16.925 -8.219 2.074 1.00 0.00 N ATOM 53 CA LYS A 5 18.150 -7.458 1.837 1.00 0.00 C ATOM 54 C LYS A 5 18.420 -6.489 2.975 1.00 0.00 C ATOM 55 O LYS A 5 19.385 -6.642 3.726 1.00 0.00 O ATOM 56 CB LYS A 5 18.056 -6.683 0.522 1.00 0.00 C ATOM 57 CG LYS A 5 17.913 -7.559 -0.704 1.00 0.00 C ATOM 58 CD LYS A 5 17.881 -6.728 -1.969 1.00 0.00 C ATOM 59 CE LYS A 5 17.827 -7.604 -3.206 1.00 0.00 C ATOM 60 NZ LYS A 5 17.884 -6.801 -4.448 1.00 0.00 N ATOM 0 H LYS A 5 16.234 -8.148 1.327 1.00 0.00 H new ATOM 0 HA LYS A 5 18.973 -8.170 1.778 1.00 0.00 H new ATOM 0 HB2 LYS A 5 17.204 -6.005 0.572 1.00 0.00 H new ATOM 0 HB3 LYS A 5 18.948 -6.066 0.412 1.00 0.00 H new ATOM 0 HG2 LYS A 5 18.743 -8.264 -0.750 1.00 0.00 H new ATOM 0 HG3 LYS A 5 16.999 -8.148 -0.629 1.00 0.00 H new ATOM 0 HD2 LYS A 5 17.014 -6.068 -1.951 1.00 0.00 H new ATOM 0 HD3 LYS A 5 18.765 -6.092 -2.010 1.00 0.00 H new ATOM 0 HE2 LYS A 5 18.659 -8.309 -3.190 1.00 0.00 H new ATOM 0 HE3 LYS A 5 16.910 -8.193 -3.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 17.845 -7.434 -5.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 17.077 -6.146 -4.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 18.771 -6.258 -4.470 1.00 0.00 H new ATOM 74 N LEU A 6 17.577 -5.490 3.087 1.00 0.00 N ATOM 75 CA LEU A 6 17.715 -4.491 4.129 1.00 0.00 C ATOM 76 C LEU A 6 16.387 -4.255 4.826 1.00 0.00 C ATOM 77 O LEU A 6 16.267 -3.395 5.693 1.00 0.00 O ATOM 78 CB LEU A 6 18.254 -3.188 3.521 1.00 0.00 C ATOM 79 CG LEU A 6 17.494 -2.645 2.300 1.00 0.00 C ATOM 80 CD1 LEU A 6 16.323 -1.765 2.718 1.00 0.00 C ATOM 81 CD2 LEU A 6 18.434 -1.888 1.383 1.00 0.00 C ATOM 0 H LEU A 6 16.781 -5.344 2.466 1.00 0.00 H new ATOM 0 HA LEU A 6 18.421 -4.851 4.877 1.00 0.00 H new ATOM 0 HB2 LEU A 6 18.251 -2.421 4.296 1.00 0.00 H new ATOM 0 HB3 LEU A 6 19.294 -3.348 3.235 1.00 0.00 H new ATOM 0 HG LEU A 6 17.087 -3.497 1.755 1.00 0.00 H new ATOM 0 HD11 LEU A 6 15.808 -1.398 1.830 1.00 0.00 H new ATOM 0 HD12 LEU A 6 15.629 -2.347 3.325 1.00 0.00 H new ATOM 0 HD13 LEU A 6 16.692 -0.919 3.298 1.00 0.00 H new ATOM 0 HD21 LEU A 6 17.879 -1.511 0.524 1.00 0.00 H new ATOM 0 HD22 LEU A 6 18.876 -1.052 1.925 1.00 0.00 H new ATOM 0 HD23 LEU A 6 19.224 -2.556 1.040 1.00 0.00 H new ATOM 93 N THR A 7 15.401 -5.041 4.452 1.00 0.00 N ATOM 94 CA THR A 7 14.063 -4.895 4.966 1.00 0.00 C ATOM 95 C THR A 7 13.740 -5.935 6.040 1.00 0.00 C ATOM 96 O THR A 7 12.579 -6.294 6.233 1.00 0.00 O ATOM 97 CB THR A 7 13.056 -5.014 3.820 1.00 0.00 C ATOM 98 OG1 THR A 7 13.482 -6.047 2.920 1.00 0.00 O ATOM 99 CG2 THR A 7 12.934 -3.697 3.068 1.00 0.00 C ATOM 0 H THR A 7 15.508 -5.801 3.780 1.00 0.00 H new ATOM 0 HA THR A 7 13.995 -3.910 5.428 1.00 0.00 H new ATOM 0 HB THR A 7 12.080 -5.263 4.236 1.00 0.00 H new ATOM 0 HG1 THR A 7 12.946 -6.008 2.100 1.00 0.00 H new ATOM 0 HG21 THR A 7 12.213 -3.806 2.258 1.00 0.00 H new ATOM 0 HG22 THR A 7 12.597 -2.918 3.751 1.00 0.00 H new ATOM 0 HG23 THR A 7 13.905 -3.423 2.655 1.00 0.00 H new ATOM 107 N ALA A 8 14.767 -6.412 6.749 1.00 0.00 N ATOM 108 CA ALA A 8 14.553 -7.375 7.840 1.00 0.00 C ATOM 109 C ALA A 8 13.588 -6.801 8.873 1.00 0.00 C ATOM 110 O ALA A 8 12.746 -7.512 9.412 1.00 0.00 O ATOM 111 CB ALA A 8 15.871 -7.775 8.504 1.00 0.00 C ATOM 0 H ALA A 8 15.741 -6.154 6.593 1.00 0.00 H new ATOM 0 HA ALA A 8 14.115 -8.275 7.408 1.00 0.00 H new ATOM 0 HB1 ALA A 8 15.673 -8.487 9.305 1.00 0.00 H new ATOM 0 HB2 ALA A 8 16.527 -8.234 7.764 1.00 0.00 H new ATOM 0 HB3 ALA A 8 16.354 -6.889 8.917 1.00 0.00 H new ATOM 117 N ASP A 9 13.703 -5.499 9.112 1.00 0.00 N ATOM 118 CA ASP A 9 12.825 -4.783 10.044 1.00 0.00 C ATOM 119 C ASP A 9 11.379 -4.826 9.551 1.00 0.00 C ATOM 120 O ASP A 9 10.434 -4.878 10.338 1.00 0.00 O ATOM 121 CB ASP A 9 13.282 -3.324 10.177 1.00 0.00 C ATOM 122 CG ASP A 9 13.234 -2.577 8.855 1.00 0.00 C ATOM 123 OD1 ASP A 9 14.138 -2.781 8.018 1.00 0.00 O ATOM 124 OD2 ASP A 9 12.289 -1.791 8.643 1.00 0.00 O ATOM 0 H ASP A 9 14.405 -4.907 8.668 1.00 0.00 H new ATOM 0 HA ASP A 9 12.881 -5.269 11.018 1.00 0.00 H new ATOM 0 HB2 ASP A 9 12.649 -2.813 10.903 1.00 0.00 H new ATOM 0 HB3 ASP A 9 14.299 -3.299 10.568 1.00 0.00 H new ATOM 129 N ALA A 10 11.233 -4.813 8.245 1.00 0.00 N ATOM 130 CA ALA A 10 9.920 -4.856 7.605 1.00 0.00 C ATOM 131 C ALA A 10 9.350 -6.251 7.675 1.00 0.00 C ATOM 132 O ALA A 10 8.138 -6.430 7.784 1.00 0.00 O ATOM 133 CB ALA A 10 9.987 -4.371 6.158 1.00 0.00 C ATOM 0 H ALA A 10 12.014 -4.773 7.590 1.00 0.00 H new ATOM 0 HA ALA A 10 9.259 -4.180 8.147 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.993 -4.416 5.713 1.00 0.00 H new ATOM 0 HB2 ALA A 10 10.348 -3.343 6.135 1.00 0.00 H new ATOM 0 HB3 ALA A 10 10.667 -5.007 5.592 1.00 0.00 H new ATOM 139 N GLU A 11 10.230 -7.242 7.609 1.00 0.00 N ATOM 140 CA GLU A 11 9.823 -8.639 7.748 1.00 0.00 C ATOM 141 C GLU A 11 9.255 -8.839 9.153 1.00 0.00 C ATOM 142 O GLU A 11 8.309 -9.593 9.356 1.00 0.00 O ATOM 143 CB GLU A 11 11.020 -9.589 7.518 1.00 0.00 C ATOM 144 CG GLU A 11 10.649 -11.070 7.463 1.00 0.00 C ATOM 145 CD GLU A 11 9.919 -11.444 6.188 1.00 0.00 C ATOM 146 OE1 GLU A 11 10.558 -12.003 5.273 1.00 0.00 O ATOM 147 OE2 GLU A 11 8.713 -11.171 6.086 1.00 0.00 O ATOM 0 H GLU A 11 11.230 -7.107 7.460 1.00 0.00 H new ATOM 0 HA GLU A 11 9.067 -8.872 6.999 1.00 0.00 H new ATOM 0 HB2 GLU A 11 11.511 -9.315 6.584 1.00 0.00 H new ATOM 0 HB3 GLU A 11 11.746 -9.438 8.317 1.00 0.00 H new ATOM 0 HG2 GLU A 11 11.555 -11.670 7.548 1.00 0.00 H new ATOM 0 HG3 GLU A 11 10.023 -11.315 8.321 1.00 0.00 H new ATOM 154 N LEU A 12 9.842 -8.127 10.113 1.00 0.00 N ATOM 155 CA LEU A 12 9.398 -8.169 11.509 1.00 0.00 C ATOM 156 C LEU A 12 7.949 -7.704 11.616 1.00 0.00 C ATOM 157 O LEU A 12 7.098 -8.414 12.152 1.00 0.00 O ATOM 158 CB LEU A 12 10.284 -7.279 12.410 1.00 0.00 C ATOM 159 CG LEU A 12 11.809 -7.457 12.295 1.00 0.00 C ATOM 160 CD1 LEU A 12 12.522 -6.732 13.417 1.00 0.00 C ATOM 161 CD2 LEU A 12 12.191 -8.924 12.258 1.00 0.00 C ATOM 0 H LEU A 12 10.635 -7.507 9.949 1.00 0.00 H new ATOM 0 HA LEU A 12 9.482 -9.201 11.849 1.00 0.00 H new ATOM 0 HB2 LEU A 12 10.048 -6.237 12.192 1.00 0.00 H new ATOM 0 HB3 LEU A 12 10.000 -7.460 13.447 1.00 0.00 H new ATOM 0 HG LEU A 12 12.128 -7.013 11.352 1.00 0.00 H new ATOM 0 HD11 LEU A 12 13.598 -6.872 13.315 1.00 0.00 H new ATOM 0 HD12 LEU A 12 12.288 -5.668 13.369 1.00 0.00 H new ATOM 0 HD13 LEU A 12 12.193 -7.133 14.376 1.00 0.00 H new ATOM 0 HD21 LEU A 12 13.274 -9.016 12.176 1.00 0.00 H new ATOM 0 HD22 LEU A 12 11.853 -9.411 13.173 1.00 0.00 H new ATOM 0 HD23 LEU A 12 11.721 -9.401 11.398 1.00 0.00 H new ATOM 173 N GLN A 13 7.672 -6.506 11.095 1.00 0.00 N ATOM 174 CA GLN A 13 6.312 -5.971 11.121 1.00 0.00 C ATOM 175 C GLN A 13 5.377 -6.797 10.255 1.00 0.00 C ATOM 176 O GLN A 13 4.173 -6.779 10.450 1.00 0.00 O ATOM 177 CB GLN A 13 6.260 -4.493 10.713 1.00 0.00 C ATOM 178 CG GLN A 13 6.892 -3.555 11.727 1.00 0.00 C ATOM 179 CD GLN A 13 6.427 -2.119 11.565 1.00 0.00 C ATOM 180 OE1 GLN A 13 5.426 -1.709 12.158 1.00 0.00 O ATOM 181 NE2 GLN A 13 7.145 -1.349 10.777 1.00 0.00 N ATOM 0 H GLN A 13 8.362 -5.897 10.656 1.00 0.00 H new ATOM 0 HA GLN A 13 5.972 -6.036 12.155 1.00 0.00 H new ATOM 0 HB2 GLN A 13 6.766 -4.372 9.755 1.00 0.00 H new ATOM 0 HB3 GLN A 13 5.220 -4.203 10.563 1.00 0.00 H new ATOM 0 HG2 GLN A 13 6.652 -3.899 12.733 1.00 0.00 H new ATOM 0 HG3 GLN A 13 7.977 -3.595 11.626 1.00 0.00 H new ATOM 0 HE21 GLN A 13 7.966 -1.727 10.305 1.00 0.00 H new ATOM 0 HE22 GLN A 13 6.881 -0.374 10.638 1.00 0.00 H new ATOM 190 N ARG A 14 5.945 -7.530 9.308 1.00 0.00 N ATOM 191 CA ARG A 14 5.157 -8.417 8.451 1.00 0.00 C ATOM 192 C ARG A 14 4.630 -9.586 9.274 1.00 0.00 C ATOM 193 O ARG A 14 3.529 -10.082 9.045 1.00 0.00 O ATOM 194 CB ARG A 14 5.992 -8.923 7.270 1.00 0.00 C ATOM 195 CG ARG A 14 5.251 -9.862 6.342 1.00 0.00 C ATOM 196 CD ARG A 14 6.098 -10.196 5.135 1.00 0.00 C ATOM 197 NE ARG A 14 6.362 -9.012 4.314 1.00 0.00 N ATOM 198 CZ ARG A 14 7.567 -8.612 3.900 1.00 0.00 C ATOM 199 NH1 ARG A 14 8.662 -9.223 4.314 1.00 0.00 N ATOM 200 NH2 ARG A 14 7.666 -7.571 3.078 1.00 0.00 N ATOM 0 H ARG A 14 6.946 -7.531 9.111 1.00 0.00 H new ATOM 0 HA ARG A 14 4.315 -7.856 8.046 1.00 0.00 H new ATOM 0 HB2 ARG A 14 6.345 -8.066 6.696 1.00 0.00 H new ATOM 0 HB3 ARG A 14 6.874 -9.433 7.656 1.00 0.00 H new ATOM 0 HG2 ARG A 14 4.990 -10.777 6.874 1.00 0.00 H new ATOM 0 HG3 ARG A 14 4.316 -9.402 6.021 1.00 0.00 H new ATOM 0 HD2 ARG A 14 7.043 -10.630 5.462 1.00 0.00 H new ATOM 0 HD3 ARG A 14 5.592 -10.951 4.533 1.00 0.00 H new ATOM 0 HE ARG A 14 5.560 -8.447 4.036 1.00 0.00 H new ATOM 0 HH11 ARG A 14 8.594 -10.011 4.958 1.00 0.00 H new ATOM 0 HH12 ARG A 14 9.576 -8.907 3.990 1.00 0.00 H new ATOM 0 HH21 ARG A 14 6.825 -7.084 2.768 1.00 0.00 H new ATOM 0 HH22 ARG A 14 8.583 -7.260 2.758 1.00 0.00 H new ATOM 214 N LEU A 15 5.432 -10.017 10.237 1.00 0.00 N ATOM 215 CA LEU A 15 5.030 -11.071 11.152 1.00 0.00 C ATOM 216 C LEU A 15 4.033 -10.499 12.136 1.00 0.00 C ATOM 217 O LEU A 15 3.146 -11.199 12.630 1.00 0.00 O ATOM 218 CB LEU A 15 6.244 -11.637 11.905 1.00 0.00 C ATOM 219 CG LEU A 15 7.365 -12.217 11.036 1.00 0.00 C ATOM 220 CD1 LEU A 15 8.506 -12.722 11.905 1.00 0.00 C ATOM 221 CD2 LEU A 15 6.838 -13.331 10.143 1.00 0.00 C ATOM 0 H LEU A 15 6.369 -9.650 10.404 1.00 0.00 H new ATOM 0 HA LEU A 15 4.578 -11.886 10.586 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.665 -10.844 12.523 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.895 -12.418 12.581 1.00 0.00 H new ATOM 0 HG LEU A 15 7.745 -11.421 10.395 1.00 0.00 H new ATOM 0 HD11 LEU A 15 9.293 -13.130 11.271 1.00 0.00 H new ATOM 0 HD12 LEU A 15 8.906 -11.898 12.495 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.138 -13.501 12.573 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.652 -13.727 9.536 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.426 -14.128 10.761 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.058 -12.937 9.492 1.00 0.00 H new ATOM 233 N LYS A 16 4.214 -9.215 12.435 1.00 0.00 N ATOM 234 CA LYS A 16 3.293 -8.468 13.302 1.00 0.00 C ATOM 235 C LYS A 16 1.868 -8.519 12.760 1.00 0.00 C ATOM 236 O LYS A 16 0.913 -8.678 13.521 1.00 0.00 O ATOM 237 CB LYS A 16 3.740 -7.002 13.464 1.00 0.00 C ATOM 238 CG LYS A 16 2.707 -6.114 14.139 1.00 0.00 C ATOM 239 CD LYS A 16 3.193 -4.679 14.242 1.00 0.00 C ATOM 240 CE LYS A 16 2.081 -3.750 14.700 1.00 0.00 C ATOM 241 NZ LYS A 16 1.507 -4.157 16.005 1.00 0.00 N ATOM 0 H LYS A 16 4.997 -8.661 12.088 1.00 0.00 H new ATOM 0 HA LYS A 16 3.313 -8.945 14.282 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.662 -6.976 14.044 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.970 -6.592 12.481 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.775 -6.144 13.575 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.490 -6.499 15.135 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.026 -4.625 14.942 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.569 -4.350 13.273 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.469 -2.734 14.777 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.292 -3.734 13.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.877 -3.408 16.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.966 -5.037 15.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.275 -4.312 16.689 1.00 0.00 H new ATOM 255 N ASN A 17 1.717 -8.415 11.440 1.00 0.00 N ATOM 256 CA ASN A 17 0.395 -8.474 10.848 1.00 0.00 C ATOM 257 C ASN A 17 0.024 -9.918 10.552 1.00 0.00 C ATOM 258 O ASN A 17 -0.238 -10.299 9.417 1.00 0.00 O ATOM 259 CB ASN A 17 0.250 -7.570 9.587 1.00 0.00 C ATOM 260 CG ASN A 17 1.297 -7.808 8.499 1.00 0.00 C ATOM 261 OD1 ASN A 17 2.330 -7.162 8.472 1.00 0.00 O ATOM 262 ND2 ASN A 17 1.022 -8.724 7.592 1.00 0.00 N ATOM 0 H ASN A 17 2.482 -8.292 10.777 1.00 0.00 H new ATOM 0 HA ASN A 17 -0.308 -8.071 11.577 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -0.740 -7.726 9.158 1.00 0.00 H new ATOM 0 HB3 ASN A 17 0.302 -6.527 9.898 1.00 0.00 H new ATOM 0 HD21 ASN A 17 1.683 -8.910 6.838 1.00 0.00 H new ATOM 0 HD22 ASN A 17 0.148 -9.247 7.644 1.00 0.00 H new ATOM 269 N GLU A 18 -0.004 -10.715 11.613 1.00 0.00 N ATOM 270 CA GLU A 18 -0.322 -12.137 11.547 1.00 0.00 C ATOM 271 C GLU A 18 -1.709 -12.356 10.948 1.00 0.00 C ATOM 272 O GLU A 18 -2.010 -13.409 10.393 1.00 0.00 O ATOM 273 CB GLU A 18 -0.244 -12.733 12.948 1.00 0.00 C ATOM 274 CG GLU A 18 -0.524 -14.215 13.019 1.00 0.00 C ATOM 275 CD GLU A 18 -0.253 -14.770 14.388 1.00 0.00 C ATOM 276 OE1 GLU A 18 0.887 -15.222 14.628 1.00 0.00 O ATOM 277 OE2 GLU A 18 -1.165 -14.741 15.238 1.00 0.00 O ATOM 0 H GLU A 18 0.196 -10.387 12.558 1.00 0.00 H new ATOM 0 HA GLU A 18 0.401 -12.635 10.901 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.750 -12.545 13.353 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.954 -12.212 13.590 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.564 -14.401 12.751 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.092 -14.737 12.287 1.00 0.00 H new ATOM 284 N ARG A 19 -2.534 -11.340 11.052 1.00 0.00 N ATOM 285 CA ARG A 19 -3.881 -11.352 10.494 1.00 0.00 C ATOM 286 C ARG A 19 -3.838 -11.227 8.959 1.00 0.00 C ATOM 287 O ARG A 19 -4.874 -11.205 8.303 1.00 0.00 O ATOM 288 CB ARG A 19 -4.663 -10.176 11.076 1.00 0.00 C ATOM 289 CG ARG A 19 -4.030 -8.836 10.746 1.00 0.00 C ATOM 290 CD ARG A 19 -4.647 -7.695 11.527 1.00 0.00 C ATOM 291 NE ARG A 19 -3.975 -6.436 11.219 1.00 0.00 N ATOM 292 CZ ARG A 19 -3.171 -5.769 12.057 1.00 0.00 C ATOM 293 NH1 ARG A 19 -2.975 -6.206 13.301 1.00 0.00 N ATOM 294 NH2 ARG A 19 -2.561 -4.669 11.639 1.00 0.00 N ATOM 0 H ARG A 19 -2.294 -10.471 11.529 1.00 0.00 H new ATOM 0 HA ARG A 19 -4.364 -12.295 10.749 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.683 -10.197 10.692 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -4.727 -10.287 12.158 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -2.962 -8.881 10.957 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -4.136 -8.641 9.679 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -5.707 -7.615 11.287 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -4.576 -7.899 12.595 1.00 0.00 H new ATOM 0 HE ARG A 19 -4.130 -6.034 10.295 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -3.439 -7.056 13.622 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -2.361 -5.691 13.932 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -2.706 -4.337 10.686 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -1.947 -4.155 12.271 1.00 0.00 H new ATOM 308 N HIS A 20 -2.630 -11.167 8.402 1.00 0.00 N ATOM 309 CA HIS A 20 -2.454 -10.961 6.963 1.00 0.00 C ATOM 310 C HIS A 20 -1.027 -11.371 6.517 1.00 0.00 C ATOM 311 O HIS A 20 -0.552 -10.952 5.460 1.00 0.00 O ATOM 312 CB HIS A 20 -2.716 -9.471 6.649 1.00 0.00 C ATOM 313 CG HIS A 20 -2.851 -9.141 5.192 1.00 0.00 C ATOM 314 ND1 HIS A 20 -3.832 -9.668 4.388 1.00 0.00 N ATOM 315 CD2 HIS A 20 -2.129 -8.311 4.402 1.00 0.00 C ATOM 316 CE1 HIS A 20 -3.714 -9.178 3.170 1.00 0.00 C ATOM 317 NE2 HIS A 20 -2.689 -8.351 3.150 1.00 0.00 N ATOM 0 H HIS A 20 -1.758 -11.258 8.924 1.00 0.00 H new ATOM 0 HA HIS A 20 -3.158 -11.586 6.414 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -3.627 -9.163 7.161 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -1.901 -8.879 7.065 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -1.272 -7.726 4.702 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -4.350 -9.415 2.330 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -2.365 -7.827 2.337 1.00 0.00 H new ATOM 325 N GLU A 21 -0.372 -12.221 7.306 1.00 0.00 N ATOM 326 CA GLU A 21 1.012 -12.612 7.027 1.00 0.00 C ATOM 327 C GLU A 21 1.101 -13.565 5.839 1.00 0.00 C ATOM 328 O GLU A 21 1.922 -13.369 4.938 1.00 0.00 O ATOM 329 CB GLU A 21 1.675 -13.246 8.264 1.00 0.00 C ATOM 330 CG GLU A 21 0.914 -14.430 8.845 1.00 0.00 C ATOM 331 CD GLU A 21 1.736 -15.246 9.815 1.00 0.00 C ATOM 332 OE1 GLU A 21 1.978 -14.778 10.942 1.00 0.00 O ATOM 333 OE2 GLU A 21 2.130 -16.380 9.458 1.00 0.00 O ATOM 0 H GLU A 21 -0.773 -12.651 8.139 1.00 0.00 H new ATOM 0 HA GLU A 21 1.552 -11.700 6.772 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.680 -13.571 7.996 1.00 0.00 H new ATOM 0 HB3 GLU A 21 1.781 -12.484 9.036 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.020 -14.066 9.352 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.579 -15.073 8.031 1.00 0.00 H new ATOM 340 N GLU A 22 0.230 -14.568 5.818 1.00 0.00 N ATOM 341 CA GLU A 22 0.245 -15.594 4.770 1.00 0.00 C ATOM 342 C GLU A 22 -0.082 -15.004 3.402 1.00 0.00 C ATOM 343 O GLU A 22 0.267 -15.571 2.372 1.00 0.00 O ATOM 344 CB GLU A 22 -0.746 -16.730 5.090 1.00 0.00 C ATOM 345 CG GLU A 22 -2.218 -16.327 5.016 1.00 0.00 C ATOM 346 CD GLU A 22 -3.148 -17.494 5.211 1.00 0.00 C ATOM 347 OE1 GLU A 22 -3.659 -18.018 4.207 1.00 0.00 O ATOM 348 OE2 GLU A 22 -3.368 -17.897 6.368 1.00 0.00 O ATOM 0 H GLU A 22 -0.501 -14.697 6.517 1.00 0.00 H new ATOM 0 HA GLU A 22 1.256 -16.001 4.741 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.572 -17.553 4.396 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.536 -17.107 6.091 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.423 -15.573 5.776 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.417 -15.867 4.048 1.00 0.00 H new ATOM 355 N ALA A 23 -0.721 -13.852 3.406 1.00 0.00 N ATOM 356 CA ALA A 23 -1.131 -13.223 2.165 1.00 0.00 C ATOM 357 C ALA A 23 0.005 -12.417 1.573 1.00 0.00 C ATOM 358 O ALA A 23 0.313 -12.538 0.392 1.00 0.00 O ATOM 359 CB ALA A 23 -2.365 -12.350 2.372 1.00 0.00 C ATOM 0 H ALA A 23 -0.967 -13.334 4.249 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.395 -14.011 1.460 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.649 -11.891 1.425 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.187 -12.964 2.739 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.141 -11.570 3.100 1.00 0.00 H new ATOM 365 N GLU A 24 0.646 -11.611 2.405 1.00 0.00 N ATOM 366 CA GLU A 24 1.742 -10.766 1.943 1.00 0.00 C ATOM 367 C GLU A 24 2.962 -11.612 1.595 1.00 0.00 C ATOM 368 O GLU A 24 3.564 -11.443 0.536 1.00 0.00 O ATOM 369 CB GLU A 24 2.107 -9.708 2.998 1.00 0.00 C ATOM 370 CG GLU A 24 3.115 -8.684 2.511 1.00 0.00 C ATOM 371 CD GLU A 24 3.443 -7.644 3.557 1.00 0.00 C ATOM 372 OE1 GLU A 24 2.526 -7.210 4.268 1.00 0.00 O ATOM 373 OE2 GLU A 24 4.622 -7.244 3.659 1.00 0.00 O ATOM 0 H GLU A 24 0.430 -11.522 3.398 1.00 0.00 H new ATOM 0 HA GLU A 24 1.410 -10.248 1.044 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.200 -9.191 3.311 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.508 -10.209 3.879 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.031 -9.195 2.213 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.723 -8.189 1.623 1.00 0.00 H new ATOM 380 N LEU A 25 3.303 -12.537 2.485 1.00 0.00 N ATOM 381 CA LEU A 25 4.464 -13.398 2.299 1.00 0.00 C ATOM 382 C LEU A 25 4.366 -14.203 1.005 1.00 0.00 C ATOM 383 O LEU A 25 5.280 -14.169 0.181 1.00 0.00 O ATOM 384 CB LEU A 25 4.628 -14.342 3.495 1.00 0.00 C ATOM 385 CG LEU A 25 5.815 -15.307 3.428 1.00 0.00 C ATOM 386 CD1 LEU A 25 7.131 -14.546 3.380 1.00 0.00 C ATOM 387 CD2 LEU A 25 5.792 -16.256 4.612 1.00 0.00 C ATOM 0 H LEU A 25 2.788 -12.710 3.348 1.00 0.00 H new ATOM 0 HA LEU A 25 5.341 -12.755 2.228 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.725 -13.739 4.398 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.714 -14.927 3.599 1.00 0.00 H new ATOM 0 HG LEU A 25 5.728 -15.891 2.512 1.00 0.00 H new ATOM 0 HD11 LEU A 25 7.959 -15.253 3.333 1.00 0.00 H new ATOM 0 HD12 LEU A 25 7.149 -13.906 2.498 1.00 0.00 H new ATOM 0 HD13 LEU A 25 7.229 -13.932 4.275 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.642 -16.936 4.550 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.851 -15.684 5.538 1.00 0.00 H new ATOM 0 HD23 LEU A 25 4.866 -16.831 4.600 1.00 0.00 H new ATOM 399 N GLU A 26 3.251 -14.913 0.825 1.00 0.00 N ATOM 400 CA GLU A 26 3.057 -15.754 -0.352 1.00 0.00 C ATOM 401 C GLU A 26 3.162 -14.939 -1.642 1.00 0.00 C ATOM 402 O GLU A 26 3.758 -15.394 -2.627 1.00 0.00 O ATOM 403 CB GLU A 26 1.708 -16.459 -0.285 1.00 0.00 C ATOM 404 CG GLU A 26 1.504 -17.494 -1.371 1.00 0.00 C ATOM 405 CD GLU A 26 0.144 -18.132 -1.307 1.00 0.00 C ATOM 406 OE1 GLU A 26 -0.770 -17.658 -2.016 1.00 0.00 O ATOM 407 OE2 GLU A 26 -0.027 -19.107 -0.545 1.00 0.00 O ATOM 0 H GLU A 26 2.470 -14.921 1.481 1.00 0.00 H new ATOM 0 HA GLU A 26 3.849 -16.503 -0.360 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.609 -16.942 0.687 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.915 -15.714 -0.353 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.637 -17.025 -2.346 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.269 -18.266 -1.282 1.00 0.00 H new ATOM 414 N ARG A 27 2.585 -13.743 -1.635 1.00 0.00 N ATOM 415 CA ARG A 27 2.651 -12.860 -2.800 1.00 0.00 C ATOM 416 C ARG A 27 4.092 -12.530 -3.143 1.00 0.00 C ATOM 417 O ARG A 27 4.523 -12.696 -4.276 1.00 0.00 O ATOM 418 CB ARG A 27 1.888 -11.557 -2.562 1.00 0.00 C ATOM 419 CG ARG A 27 0.384 -11.695 -2.537 1.00 0.00 C ATOM 420 CD ARG A 27 -0.262 -10.330 -2.405 1.00 0.00 C ATOM 421 NE ARG A 27 0.212 -9.416 -3.444 1.00 0.00 N ATOM 422 CZ ARG A 27 0.017 -8.101 -3.451 1.00 0.00 C ATOM 423 NH1 ARG A 27 -0.651 -7.513 -2.461 1.00 0.00 N ATOM 424 NH2 ARG A 27 0.499 -7.371 -4.449 1.00 0.00 N ATOM 0 H ARG A 27 2.069 -13.361 -0.842 1.00 0.00 H new ATOM 0 HA ARG A 27 2.188 -13.393 -3.630 1.00 0.00 H new ATOM 0 HB2 ARG A 27 2.215 -11.130 -1.614 1.00 0.00 H new ATOM 0 HB3 ARG A 27 2.160 -10.846 -3.342 1.00 0.00 H new ATOM 0 HG2 ARG A 27 0.040 -12.182 -3.450 1.00 0.00 H new ATOM 0 HG3 ARG A 27 0.083 -12.330 -1.704 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -1.345 -10.430 -2.472 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -0.040 -9.914 -1.422 1.00 0.00 H new ATOM 0 HE ARG A 27 0.732 -9.819 -4.223 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -1.017 -8.072 -1.690 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -0.797 -6.504 -2.473 1.00 0.00 H new ATOM 0 HH21 ARG A 27 1.016 -7.819 -5.205 1.00 0.00 H new ATOM 0 HH22 ARG A 27 0.352 -6.362 -4.460 1.00 0.00 H new ATOM 438 N LEU A 28 4.836 -12.095 -2.136 1.00 0.00 N ATOM 439 CA LEU A 28 6.227 -11.672 -2.303 1.00 0.00 C ATOM 440 C LEU A 28 7.113 -12.790 -2.829 1.00 0.00 C ATOM 441 O LEU A 28 8.121 -12.532 -3.488 1.00 0.00 O ATOM 442 CB LEU A 28 6.770 -11.163 -0.977 1.00 0.00 C ATOM 443 CG LEU A 28 6.069 -9.932 -0.426 1.00 0.00 C ATOM 444 CD1 LEU A 28 6.434 -9.727 1.020 1.00 0.00 C ATOM 445 CD2 LEU A 28 6.432 -8.709 -1.243 1.00 0.00 C ATOM 0 H LEU A 28 4.495 -12.024 -1.177 1.00 0.00 H new ATOM 0 HA LEU A 28 6.239 -10.873 -3.045 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.698 -11.964 -0.241 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.829 -10.936 -1.098 1.00 0.00 H new ATOM 0 HG LEU A 28 4.992 -10.085 -0.493 1.00 0.00 H new ATOM 0 HD11 LEU A 28 5.925 -8.842 1.402 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.130 -10.599 1.599 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.512 -9.592 1.107 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.922 -7.835 -0.836 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.510 -8.552 -1.203 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.125 -8.859 -2.278 1.00 0.00 H new ATOM 457 N LYS A 29 6.760 -14.017 -2.511 1.00 0.00 N ATOM 458 CA LYS A 29 7.511 -15.165 -2.987 1.00 0.00 C ATOM 459 C LYS A 29 7.482 -15.248 -4.513 1.00 0.00 C ATOM 460 O LYS A 29 8.513 -15.470 -5.148 1.00 0.00 O ATOM 461 CB LYS A 29 6.979 -16.452 -2.356 1.00 0.00 C ATOM 462 CG LYS A 29 7.103 -16.465 -0.841 1.00 0.00 C ATOM 463 CD LYS A 29 6.518 -17.724 -0.224 1.00 0.00 C ATOM 464 CE LYS A 29 7.279 -18.965 -0.651 1.00 0.00 C ATOM 465 NZ LYS A 29 6.877 -20.147 0.142 1.00 0.00 N ATOM 0 H LYS A 29 5.958 -14.248 -1.925 1.00 0.00 H new ATOM 0 HA LYS A 29 8.551 -15.041 -2.684 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.932 -16.579 -2.631 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.522 -17.303 -2.767 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.154 -16.382 -0.564 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.596 -15.592 -0.430 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.539 -17.640 0.863 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.472 -17.820 -0.516 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.100 -19.157 -1.709 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.349 -18.795 -0.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.416 -20.978 -0.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.071 -19.972 1.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.860 -20.323 0.011 1.00 0.00 H new ATOM 479 N SER A 30 6.312 -15.048 -5.097 1.00 0.00 N ATOM 480 CA SER A 30 6.175 -15.097 -6.550 1.00 0.00 C ATOM 481 C SER A 30 6.453 -13.729 -7.187 1.00 0.00 C ATOM 482 O SER A 30 7.079 -13.643 -8.247 1.00 0.00 O ATOM 483 CB SER A 30 4.775 -15.600 -6.953 1.00 0.00 C ATOM 484 OG SER A 30 4.651 -15.709 -8.365 1.00 0.00 O ATOM 0 H SER A 30 5.446 -14.851 -4.594 1.00 0.00 H new ATOM 0 HA SER A 30 6.919 -15.800 -6.924 1.00 0.00 H new ATOM 0 HB2 SER A 30 4.589 -16.571 -6.494 1.00 0.00 H new ATOM 0 HB3 SER A 30 4.017 -14.916 -6.571 1.00 0.00 H new ATOM 0 HG SER A 30 3.754 -16.032 -8.591 1.00 0.00 H new ATOM 490 N GLU A 31 6.004 -12.669 -6.536 1.00 0.00 N ATOM 491 CA GLU A 31 6.163 -11.326 -7.069 1.00 0.00 C ATOM 492 C GLU A 31 7.589 -10.804 -6.897 1.00 0.00 C ATOM 493 O GLU A 31 8.320 -11.238 -5.999 1.00 0.00 O ATOM 494 CB GLU A 31 5.144 -10.364 -6.447 1.00 0.00 C ATOM 495 CG GLU A 31 3.704 -10.674 -6.842 1.00 0.00 C ATOM 496 CD GLU A 31 2.702 -9.689 -6.273 1.00 0.00 C ATOM 497 OE1 GLU A 31 2.730 -8.508 -6.672 1.00 0.00 O ATOM 498 OE2 GLU A 31 1.861 -10.095 -5.447 1.00 0.00 O ATOM 0 H GLU A 31 5.526 -12.712 -5.636 1.00 0.00 H new ATOM 0 HA GLU A 31 5.970 -11.381 -8.140 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.232 -10.404 -5.361 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.385 -9.345 -6.749 1.00 0.00 H new ATOM 0 HG2 GLU A 31 3.625 -10.675 -7.929 1.00 0.00 H new ATOM 0 HG3 GLU A 31 3.449 -11.678 -6.503 1.00 0.00 H new ATOM 505 N ARG A 32 7.969 -9.906 -7.805 1.00 0.00 N ATOM 506 CA ARG A 32 9.298 -9.265 -7.839 1.00 0.00 C ATOM 507 C ARG A 32 9.850 -8.901 -6.458 1.00 0.00 C ATOM 508 O ARG A 32 9.105 -8.595 -5.526 1.00 0.00 O ATOM 509 CB ARG A 32 9.259 -8.014 -8.708 1.00 0.00 C ATOM 510 CG ARG A 32 9.282 -8.292 -10.197 1.00 0.00 C ATOM 511 CD ARG A 32 9.355 -7.000 -10.988 1.00 0.00 C ATOM 512 NE ARG A 32 10.491 -6.168 -10.571 1.00 0.00 N ATOM 513 CZ ARG A 32 10.681 -4.905 -10.962 1.00 0.00 C ATOM 514 NH1 ARG A 32 9.825 -4.333 -11.796 1.00 0.00 N ATOM 515 NH2 ARG A 32 11.727 -4.217 -10.517 1.00 0.00 N ATOM 0 H ARG A 32 7.354 -9.592 -8.556 1.00 0.00 H new ATOM 0 HA ARG A 32 9.972 -10.010 -8.262 1.00 0.00 H new ATOM 0 HB2 ARG A 32 8.359 -7.447 -8.469 1.00 0.00 H new ATOM 0 HB3 ARG A 32 10.110 -7.382 -8.454 1.00 0.00 H new ATOM 0 HG2 ARG A 32 10.138 -8.921 -10.440 1.00 0.00 H new ATOM 0 HG3 ARG A 32 8.388 -8.847 -10.481 1.00 0.00 H new ATOM 0 HD2 ARG A 32 9.443 -7.229 -12.050 1.00 0.00 H new ATOM 0 HD3 ARG A 32 8.428 -6.441 -10.858 1.00 0.00 H new ATOM 0 HE ARG A 32 11.179 -6.581 -9.942 1.00 0.00 H new ATOM 0 HH11 ARG A 32 9.020 -4.857 -12.140 1.00 0.00 H new ATOM 0 HH12 ARG A 32 9.971 -3.368 -12.094 1.00 0.00 H new ATOM 0 HH21 ARG A 32 12.388 -4.653 -9.874 1.00 0.00 H new ATOM 0 HH22 ARG A 32 11.869 -3.253 -10.818 1.00 0.00 H new ATOM 529 N HIS A 33 11.175 -8.911 -6.354 1.00 0.00 N ATOM 530 CA HIS A 33 11.866 -8.580 -5.109 1.00 0.00 C ATOM 531 C HIS A 33 11.632 -7.123 -4.728 1.00 0.00 C ATOM 532 O HIS A 33 11.560 -6.782 -3.550 1.00 0.00 O ATOM 533 CB HIS A 33 13.369 -8.848 -5.241 1.00 0.00 C ATOM 534 CG HIS A 33 13.713 -10.281 -5.499 1.00 0.00 C ATOM 535 ND1 HIS A 33 14.027 -10.767 -6.748 1.00 0.00 N ATOM 536 CD2 HIS A 33 13.796 -11.336 -4.657 1.00 0.00 C ATOM 537 CE1 HIS A 33 14.285 -12.059 -6.662 1.00 0.00 C ATOM 538 NE2 HIS A 33 14.152 -12.428 -5.405 1.00 0.00 N ATOM 0 H HIS A 33 11.799 -9.147 -7.125 1.00 0.00 H new ATOM 0 HA HIS A 33 11.460 -9.215 -4.322 1.00 0.00 H new ATOM 0 HB2 HIS A 33 13.766 -8.238 -6.053 1.00 0.00 H new ATOM 0 HB3 HIS A 33 13.867 -8.525 -4.327 1.00 0.00 H new ATOM 0 HD2 HIS A 33 13.615 -11.321 -3.592 1.00 0.00 H new ATOM 0 HE1 HIS A 33 14.559 -12.704 -7.484 1.00 0.00 H new ATOM 0 HE2 HIS A 33 14.291 -13.373 -5.046 1.00 0.00 H new ATOM 546 N ASP A 34 11.498 -6.268 -5.738 1.00 0.00 N ATOM 547 CA ASP A 34 11.257 -4.832 -5.517 1.00 0.00 C ATOM 548 C ASP A 34 9.916 -4.607 -4.849 1.00 0.00 C ATOM 549 O ASP A 34 9.706 -3.600 -4.168 1.00 0.00 O ATOM 550 CB ASP A 34 11.295 -4.057 -6.837 1.00 0.00 C ATOM 551 CG ASP A 34 12.664 -4.032 -7.466 1.00 0.00 C ATOM 552 OD1 ASP A 34 13.413 -3.066 -7.226 1.00 0.00 O ATOM 553 OD2 ASP A 34 12.997 -4.978 -8.213 1.00 0.00 O ATOM 0 H ASP A 34 11.551 -6.538 -6.720 1.00 0.00 H new ATOM 0 HA ASP A 34 12.051 -4.467 -4.866 1.00 0.00 H new ATOM 0 HB2 ASP A 34 10.588 -4.505 -7.536 1.00 0.00 H new ATOM 0 HB3 ASP A 34 10.963 -3.034 -6.661 1.00 0.00 H new ATOM 558 N HIS A 35 9.014 -5.554 -5.046 1.00 0.00 N ATOM 559 CA HIS A 35 7.670 -5.486 -4.478 1.00 0.00 C ATOM 560 C HIS A 35 7.714 -5.534 -2.943 1.00 0.00 C ATOM 561 O HIS A 35 6.799 -5.054 -2.272 1.00 0.00 O ATOM 562 CB HIS A 35 6.793 -6.623 -5.049 1.00 0.00 C ATOM 563 CG HIS A 35 5.394 -6.644 -4.533 1.00 0.00 C ATOM 564 ND1 HIS A 35 4.812 -7.767 -4.007 1.00 0.00 N ATOM 565 CD2 HIS A 35 4.461 -5.672 -4.468 1.00 0.00 C ATOM 566 CE1 HIS A 35 3.584 -7.491 -3.637 1.00 0.00 C ATOM 567 NE2 HIS A 35 3.342 -6.220 -3.902 1.00 0.00 N ATOM 0 H HIS A 35 9.188 -6.391 -5.602 1.00 0.00 H new ATOM 0 HA HIS A 35 7.223 -4.533 -4.760 1.00 0.00 H new ATOM 0 HB2 HIS A 35 6.765 -6.533 -6.135 1.00 0.00 H new ATOM 0 HB3 HIS A 35 7.265 -7.578 -4.821 1.00 0.00 H new ATOM 0 HD2 HIS A 35 4.576 -4.651 -4.801 1.00 0.00 H new ATOM 0 HE1 HIS A 35 2.888 -8.186 -3.191 1.00 0.00 H new ATOM 0 HE2 HIS A 35 2.468 -5.729 -3.716 1.00 0.00 H new ATOM 575 N ASP A 36 8.794 -6.093 -2.400 1.00 0.00 N ATOM 576 CA ASP A 36 8.968 -6.182 -0.934 1.00 0.00 C ATOM 577 C ASP A 36 8.975 -4.793 -0.311 1.00 0.00 C ATOM 578 O ASP A 36 8.388 -4.568 0.755 1.00 0.00 O ATOM 579 CB ASP A 36 10.269 -6.927 -0.576 1.00 0.00 C ATOM 580 CG ASP A 36 10.534 -6.961 0.921 1.00 0.00 C ATOM 581 OD1 ASP A 36 11.397 -6.213 1.384 1.00 0.00 O ATOM 582 OD2 ASP A 36 9.872 -7.755 1.629 1.00 0.00 O ATOM 0 H ASP A 36 9.562 -6.491 -2.940 1.00 0.00 H new ATOM 0 HA ASP A 36 8.126 -6.745 -0.531 1.00 0.00 H new ATOM 0 HB2 ASP A 36 10.214 -7.948 -0.954 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.108 -6.446 -1.078 1.00 0.00 H new ATOM 587 N LYS A 37 9.610 -3.858 -1.005 1.00 0.00 N ATOM 588 CA LYS A 37 9.711 -2.478 -0.552 1.00 0.00 C ATOM 589 C LYS A 37 8.327 -1.824 -0.503 1.00 0.00 C ATOM 590 O LYS A 37 8.023 -1.044 0.407 1.00 0.00 O ATOM 591 CB LYS A 37 10.625 -1.685 -1.494 1.00 0.00 C ATOM 592 CG LYS A 37 12.022 -2.280 -1.653 1.00 0.00 C ATOM 593 CD LYS A 37 12.801 -1.595 -2.774 1.00 0.00 C ATOM 594 CE LYS A 37 13.095 -0.132 -2.459 1.00 0.00 C ATOM 595 NZ LYS A 37 14.031 0.017 -1.316 1.00 0.00 N ATOM 0 H LYS A 37 10.070 -4.035 -1.898 1.00 0.00 H new ATOM 0 HA LYS A 37 10.135 -2.474 0.452 1.00 0.00 H new ATOM 0 HB2 LYS A 37 10.154 -1.625 -2.475 1.00 0.00 H new ATOM 0 HB3 LYS A 37 10.716 -0.665 -1.121 1.00 0.00 H new ATOM 0 HG2 LYS A 37 12.569 -2.181 -0.716 1.00 0.00 H new ATOM 0 HG3 LYS A 37 11.942 -3.346 -1.864 1.00 0.00 H new ATOM 0 HD2 LYS A 37 13.739 -2.125 -2.939 1.00 0.00 H new ATOM 0 HD3 LYS A 37 12.232 -1.658 -3.701 1.00 0.00 H new ATOM 0 HE2 LYS A 37 13.520 0.350 -3.340 1.00 0.00 H new ATOM 0 HE3 LYS A 37 12.162 0.384 -2.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 14.335 1.009 -1.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 13.552 -0.264 -0.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 14.862 -0.590 -1.467 1.00 0.00 H new ATOM 609 N LYS A 38 7.489 -2.151 -1.475 1.00 0.00 N ATOM 610 CA LYS A 38 6.154 -1.565 -1.543 1.00 0.00 C ATOM 611 C LYS A 38 5.268 -2.130 -0.448 1.00 0.00 C ATOM 612 O LYS A 38 4.528 -1.397 0.203 1.00 0.00 O ATOM 613 CB LYS A 38 5.501 -1.773 -2.917 1.00 0.00 C ATOM 614 CG LYS A 38 4.182 -1.027 -3.072 1.00 0.00 C ATOM 615 CD LYS A 38 3.603 -1.189 -4.464 1.00 0.00 C ATOM 616 CE LYS A 38 2.351 -0.339 -4.637 1.00 0.00 C ATOM 617 NZ LYS A 38 1.795 -0.441 -6.007 1.00 0.00 N ATOM 0 H LYS A 38 7.704 -2.812 -2.222 1.00 0.00 H new ATOM 0 HA LYS A 38 6.266 -0.491 -1.393 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.191 -1.444 -3.694 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.330 -2.838 -3.073 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.467 -1.396 -2.336 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.337 0.032 -2.864 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.347 -0.902 -5.207 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.363 -2.237 -4.642 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.597 -0.653 -3.915 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.587 0.702 -4.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 0.944 0.153 -6.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.505 -0.117 -6.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.545 -1.430 -6.208 1.00 0.00 H new ATOM 631 N GLU A 39 5.366 -3.433 -0.226 1.00 0.00 N ATOM 632 CA GLU A 39 4.575 -4.081 0.815 1.00 0.00 C ATOM 633 C GLU A 39 4.993 -3.600 2.195 1.00 0.00 C ATOM 634 O GLU A 39 4.239 -3.714 3.164 1.00 0.00 O ATOM 635 CB GLU A 39 4.662 -5.602 0.727 1.00 0.00 C ATOM 636 CG GLU A 39 4.034 -6.175 -0.529 1.00 0.00 C ATOM 637 CD GLU A 39 2.655 -5.610 -0.800 1.00 0.00 C ATOM 638 OE1 GLU A 39 1.734 -5.896 -0.027 1.00 0.00 O ATOM 639 OE2 GLU A 39 2.492 -4.884 -1.805 1.00 0.00 O ATOM 0 H GLU A 39 5.980 -4.060 -0.747 1.00 0.00 H new ATOM 0 HA GLU A 39 3.535 -3.800 0.652 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.710 -5.901 0.768 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.172 -6.037 1.599 1.00 0.00 H new ATOM 0 HG2 GLU A 39 4.681 -5.968 -1.381 1.00 0.00 H new ATOM 0 HG3 GLU A 39 3.967 -7.259 -0.435 1.00 0.00 H new ATOM 646 N ALA A 40 6.202 -3.071 2.289 1.00 0.00 N ATOM 647 CA ALA A 40 6.673 -2.491 3.538 1.00 0.00 C ATOM 648 C ALA A 40 5.834 -1.269 3.868 1.00 0.00 C ATOM 649 O ALA A 40 5.408 -1.081 5.006 1.00 0.00 O ATOM 650 CB ALA A 40 8.157 -2.127 3.467 1.00 0.00 C ATOM 0 H ALA A 40 6.872 -3.031 1.521 1.00 0.00 H new ATOM 0 HA ALA A 40 6.565 -3.233 4.329 1.00 0.00 H new ATOM 0 HB1 ALA A 40 8.472 -1.697 4.418 1.00 0.00 H new ATOM 0 HB2 ALA A 40 8.742 -3.024 3.263 1.00 0.00 H new ATOM 0 HB3 ALA A 40 8.316 -1.401 2.670 1.00 0.00 H new ATOM 656 N GLU A 41 5.571 -0.458 2.851 1.00 0.00 N ATOM 657 CA GLU A 41 4.747 0.729 3.020 1.00 0.00 C ATOM 658 C GLU A 41 3.260 0.369 3.068 1.00 0.00 C ATOM 659 O GLU A 41 2.486 1.012 3.776 1.00 0.00 O ATOM 660 CB GLU A 41 5.003 1.741 1.901 1.00 0.00 C ATOM 661 CG GLU A 41 6.431 2.251 1.844 1.00 0.00 C ATOM 662 CD GLU A 41 6.600 3.367 0.840 1.00 0.00 C ATOM 663 OE1 GLU A 41 6.951 3.085 -0.324 1.00 0.00 O ATOM 664 OE2 GLU A 41 6.375 4.540 1.207 1.00 0.00 O ATOM 0 H GLU A 41 5.917 -0.601 1.902 1.00 0.00 H new ATOM 0 HA GLU A 41 5.024 1.183 3.971 1.00 0.00 H new ATOM 0 HB2 GLU A 41 4.754 1.280 0.945 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.330 2.589 2.031 1.00 0.00 H new ATOM 0 HG2 GLU A 41 6.728 2.605 2.831 1.00 0.00 H new ATOM 0 HG3 GLU A 41 7.098 1.429 1.586 1.00 0.00 H new ATOM 671 N ARG A 42 2.865 -0.664 2.315 1.00 0.00 N ATOM 672 CA ARG A 42 1.452 -1.092 2.276 1.00 0.00 C ATOM 673 C ARG A 42 0.940 -1.411 3.676 1.00 0.00 C ATOM 674 O ARG A 42 -0.104 -0.914 4.085 1.00 0.00 O ATOM 675 CB ARG A 42 1.230 -2.313 1.362 1.00 0.00 C ATOM 676 CG ARG A 42 -0.248 -2.568 1.048 1.00 0.00 C ATOM 677 CD ARG A 42 -0.605 -4.050 1.137 1.00 0.00 C ATOM 678 NE ARG A 42 -0.750 -4.505 2.532 1.00 0.00 N ATOM 679 CZ ARG A 42 0.098 -5.332 3.148 1.00 0.00 C ATOM 680 NH1 ARG A 42 1.124 -5.839 2.498 1.00 0.00 N ATOM 681 NH2 ARG A 42 -0.103 -5.681 4.413 1.00 0.00 N ATOM 0 H ARG A 42 3.491 -1.217 1.729 1.00 0.00 H new ATOM 0 HA ARG A 42 0.891 -0.254 1.862 1.00 0.00 H new ATOM 0 HB2 ARG A 42 1.773 -2.164 0.429 1.00 0.00 H new ATOM 0 HB3 ARG A 42 1.652 -3.198 1.839 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -0.869 -2.003 1.743 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -0.475 -2.200 0.047 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -1.536 -4.231 0.599 1.00 0.00 H new ATOM 0 HD3 ARG A 42 0.168 -4.639 0.643 1.00 0.00 H new ATOM 0 HE ARG A 42 -1.552 -4.165 3.062 1.00 0.00 H new ATOM 0 HH11 ARG A 42 1.275 -5.601 1.518 1.00 0.00 H new ATOM 0 HH12 ARG A 42 1.768 -6.470 2.974 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -0.909 -5.317 4.921 1.00 0.00 H new ATOM 0 HH22 ARG A 42 0.549 -6.313 4.877 1.00 0.00 H new ATOM 695 N LYS A 43 1.692 -2.221 4.422 1.00 0.00 N ATOM 696 CA LYS A 43 1.272 -2.589 5.766 1.00 0.00 C ATOM 697 C LYS A 43 1.453 -1.431 6.731 1.00 0.00 C ATOM 698 O LYS A 43 0.831 -1.393 7.781 1.00 0.00 O ATOM 699 CB LYS A 43 1.992 -3.839 6.275 1.00 0.00 C ATOM 700 CG LYS A 43 3.499 -3.765 6.216 1.00 0.00 C ATOM 701 CD LYS A 43 4.122 -4.985 6.862 1.00 0.00 C ATOM 702 CE LYS A 43 5.579 -5.116 6.492 1.00 0.00 C ATOM 703 NZ LYS A 43 5.747 -5.349 5.037 1.00 0.00 N ATOM 0 H LYS A 43 2.579 -2.626 4.122 1.00 0.00 H new ATOM 0 HA LYS A 43 0.210 -2.829 5.712 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.691 -4.021 7.307 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.660 -4.697 5.690 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.824 -3.691 5.178 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.844 -2.863 6.723 1.00 0.00 H new ATOM 0 HD2 LYS A 43 4.024 -4.916 7.945 1.00 0.00 H new ATOM 0 HD3 LYS A 43 3.583 -5.880 6.550 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.113 -4.211 6.781 1.00 0.00 H new ATOM 0 HE3 LYS A 43 6.025 -5.940 7.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 6.755 -5.283 4.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.392 -6.296 4.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 5.212 -4.632 4.507 1.00 0.00 H new ATOM 717 N ALA A 44 2.291 -0.478 6.358 1.00 0.00 N ATOM 718 CA ALA A 44 2.516 0.701 7.190 1.00 0.00 C ATOM 719 C ALA A 44 1.257 1.548 7.248 1.00 0.00 C ATOM 720 O ALA A 44 0.895 2.063 8.299 1.00 0.00 O ATOM 721 CB ALA A 44 3.683 1.529 6.664 1.00 0.00 C ATOM 0 H ALA A 44 2.826 -0.493 5.490 1.00 0.00 H new ATOM 0 HA ALA A 44 2.766 0.364 8.196 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.828 2.400 7.303 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.589 0.923 6.666 1.00 0.00 H new ATOM 0 HB3 ALA A 44 3.468 1.856 5.647 1.00 0.00 H new ATOM 727 N LEU A 45 0.594 1.670 6.107 1.00 0.00 N ATOM 728 CA LEU A 45 -0.638 2.447 6.002 1.00 0.00 C ATOM 729 C LEU A 45 -1.840 1.579 6.363 1.00 0.00 C ATOM 730 O LEU A 45 -2.936 2.080 6.627 1.00 0.00 O ATOM 731 CB LEU A 45 -0.803 2.975 4.572 1.00 0.00 C ATOM 732 CG LEU A 45 0.416 3.681 3.967 1.00 0.00 C ATOM 733 CD1 LEU A 45 0.150 4.045 2.518 1.00 0.00 C ATOM 734 CD2 LEU A 45 0.774 4.921 4.766 1.00 0.00 C ATOM 0 H LEU A 45 0.890 1.237 5.232 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.581 3.287 6.695 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.070 2.138 3.926 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.643 3.669 4.558 1.00 0.00 H new ATOM 0 HG LEU A 45 1.262 2.994 4.006 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.024 4.546 2.102 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.055 3.139 1.947 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.710 4.712 2.462 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.642 5.405 4.318 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.069 5.612 4.762 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.007 4.638 5.793 1.00 0.00 H new ATOM 746 N GLU A 46 -1.620 0.284 6.367 1.00 0.00 N ATOM 747 CA GLU A 46 -2.667 -0.690 6.663 1.00 0.00 C ATOM 748 C GLU A 46 -2.789 -0.895 8.171 1.00 0.00 C ATOM 749 O GLU A 46 -3.852 -0.680 8.760 1.00 0.00 O ATOM 750 CB GLU A 46 -2.336 -2.020 5.976 1.00 0.00 C ATOM 751 CG GLU A 46 -3.413 -3.075 6.058 1.00 0.00 C ATOM 752 CD GLU A 46 -2.962 -4.367 5.416 1.00 0.00 C ATOM 753 OE1 GLU A 46 -3.366 -4.641 4.270 1.00 0.00 O ATOM 754 OE2 GLU A 46 -2.169 -5.098 6.041 1.00 0.00 O ATOM 0 H GLU A 46 -0.711 -0.133 6.166 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.619 -0.316 6.287 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -2.122 -1.824 4.925 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.424 -2.421 6.418 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.671 -3.255 7.102 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -4.316 -2.716 5.564 1.00 0.00 H new ATOM 761 N ASP A 47 -1.690 -1.301 8.784 1.00 0.00 N ATOM 762 CA ASP A 47 -1.644 -1.549 10.229 1.00 0.00 C ATOM 763 C ASP A 47 -1.827 -0.261 11.024 1.00 0.00 C ATOM 764 O ASP A 47 -2.617 -0.206 11.966 1.00 0.00 O ATOM 765 CB ASP A 47 -0.319 -2.245 10.624 1.00 0.00 C ATOM 766 CG ASP A 47 -0.088 -2.298 12.125 1.00 0.00 C ATOM 767 OD1 ASP A 47 -0.880 -2.960 12.841 1.00 0.00 O ATOM 768 OD2 ASP A 47 0.899 -1.695 12.588 1.00 0.00 O ATOM 0 H ASP A 47 -0.806 -1.469 8.304 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.473 -2.213 10.474 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -0.319 -3.261 10.228 1.00 0.00 H new ATOM 0 HB3 ASP A 47 0.513 -1.720 10.154 1.00 0.00 H new ATOM 773 N LYS A 48 -1.129 0.777 10.625 1.00 0.00 N ATOM 774 CA LYS A 48 -1.178 2.042 11.337 1.00 0.00 C ATOM 775 C LYS A 48 -1.418 3.185 10.341 1.00 0.00 C ATOM 776 O LYS A 48 -1.670 2.926 9.167 1.00 0.00 O ATOM 777 CB LYS A 48 0.145 2.247 12.095 1.00 0.00 C ATOM 778 CG LYS A 48 0.388 1.217 13.186 1.00 0.00 C ATOM 779 CD LYS A 48 1.718 1.443 13.886 1.00 0.00 C ATOM 780 CE LYS A 48 2.890 1.355 12.917 1.00 0.00 C ATOM 781 NZ LYS A 48 3.046 -0.003 12.329 1.00 0.00 N ATOM 0 H LYS A 48 -0.517 0.774 9.809 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.998 2.034 12.056 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.970 2.212 11.384 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.149 3.242 12.539 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.420 1.263 13.916 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.370 0.217 12.753 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.715 2.422 14.365 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.843 0.703 14.676 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.749 2.080 12.115 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.808 1.629 13.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.954 -0.410 12.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.269 -0.613 12.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.024 0.063 11.291 1.00 0.00 H new ATOM 795 N LEU A 49 -1.390 4.444 10.812 1.00 0.00 N ATOM 796 CA LEU A 49 -1.500 5.572 9.915 1.00 0.00 C ATOM 797 C LEU A 49 -0.355 5.543 8.910 1.00 0.00 C ATOM 798 O LEU A 49 -0.582 5.611 7.702 1.00 0.00 O ATOM 799 CB LEU A 49 -1.504 6.891 10.695 1.00 0.00 C ATOM 800 CG LEU A 49 -2.670 7.077 11.671 1.00 0.00 C ATOM 801 CD1 LEU A 49 -2.527 8.380 12.436 1.00 0.00 C ATOM 802 CD2 LEU A 49 -3.996 7.040 10.930 1.00 0.00 C ATOM 0 H LEU A 49 -1.293 4.688 11.798 1.00 0.00 H new ATOM 0 HA LEU A 49 -2.445 5.502 9.376 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.571 6.966 11.253 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.516 7.715 9.981 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.650 6.255 12.387 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.365 8.492 13.123 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.594 8.370 13.000 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.519 9.215 11.735 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.813 7.174 11.639 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.022 7.841 10.191 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.105 6.079 10.428 1.00 0.00 H new ATOM 814 N ALA A 50 0.877 5.441 9.417 1.00 0.00 N ATOM 815 CA ALA A 50 2.051 5.336 8.563 1.00 0.00 C ATOM 816 C ALA A 50 3.291 4.953 9.362 1.00 0.00 C ATOM 817 O ALA A 50 3.357 5.164 10.578 1.00 0.00 O ATOM 818 CB ALA A 50 2.299 6.648 7.823 1.00 0.00 C ATOM 0 H ALA A 50 1.081 5.429 10.416 1.00 0.00 H new ATOM 0 HA ALA A 50 1.854 4.547 7.837 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.181 6.548 7.190 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.434 6.886 7.204 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.460 7.448 8.545 1.00 0.00 H new ATOM 824 N ASP A 51 4.265 4.381 8.672 1.00 0.00 N ATOM 825 CA ASP A 51 5.555 4.049 9.266 1.00 0.00 C ATOM 826 C ASP A 51 6.632 4.831 8.561 1.00 0.00 C ATOM 827 O ASP A 51 7.109 4.432 7.493 1.00 0.00 O ATOM 828 CB ASP A 51 5.874 2.544 9.189 1.00 0.00 C ATOM 829 CG ASP A 51 5.225 1.734 10.292 1.00 0.00 C ATOM 830 OD1 ASP A 51 5.531 1.988 11.473 1.00 0.00 O ATOM 831 OD2 ASP A 51 4.427 0.821 9.983 1.00 0.00 O ATOM 0 H ASP A 51 4.186 4.133 7.686 1.00 0.00 H new ATOM 0 HA ASP A 51 5.512 4.312 10.323 1.00 0.00 H new ATOM 0 HB2 ASP A 51 5.544 2.159 8.224 1.00 0.00 H new ATOM 0 HB3 ASP A 51 6.954 2.406 9.235 1.00 0.00 H new ATOM 836 N TYR A 52 6.986 5.958 9.125 1.00 0.00 N ATOM 837 CA TYR A 52 7.986 6.810 8.534 1.00 0.00 C ATOM 838 C TYR A 52 9.185 6.905 9.456 1.00 0.00 C ATOM 839 O TYR A 52 10.157 6.155 9.241 1.00 0.00 O ATOM 840 CB TYR A 52 7.402 8.201 8.260 1.00 0.00 C ATOM 841 CG TYR A 52 8.221 9.030 7.297 1.00 0.00 C ATOM 842 CD1 TYR A 52 7.986 8.964 5.932 1.00 0.00 C ATOM 843 CD2 TYR A 52 9.226 9.876 7.748 1.00 0.00 C ATOM 844 CE1 TYR A 52 8.725 9.713 5.044 1.00 0.00 C ATOM 845 CE2 TYR A 52 9.971 10.631 6.866 1.00 0.00 C ATOM 846 CZ TYR A 52 9.716 10.546 5.514 1.00 0.00 C ATOM 847 OH TYR A 52 10.456 11.298 4.627 1.00 0.00 O ATOM 848 OXT TYR A 52 9.134 7.703 10.416 1.00 0.00 O ATOM 0 H TYR A 52 6.593 6.308 9.999 1.00 0.00 H new ATOM 0 HA TYR A 52 8.307 6.382 7.584 1.00 0.00 H new ATOM 0 HB2 TYR A 52 6.394 8.089 7.861 1.00 0.00 H new ATOM 0 HB3 TYR A 52 7.314 8.740 9.204 1.00 0.00 H new ATOM 0 HD1 TYR A 52 7.209 8.313 5.559 1.00 0.00 H new ATOM 0 HD2 TYR A 52 9.428 9.944 8.807 1.00 0.00 H new ATOM 0 HE1 TYR A 52 8.529 9.648 3.984 1.00 0.00 H new ATOM 0 HE2 TYR A 52 10.749 11.284 7.232 1.00 0.00 H new ATOM 0 HH TYR A 52 11.113 11.833 5.120 1.00 0.00 H new TER 858 TYR A 52