USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=10 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0358 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 72:sc= 0.0357 USER MOD Single : A 13 GLN : amide:sc= -0.514 K(o=-0.51,f=-2.2) USER MOD Single : A 16 LYS NZ :NH3+ -168:sc= -0.0154 (180deg=-0.218) USER MOD Single : A 17 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 160:sc= 1.26 (180deg=1.14) USER MOD Single : A 30 SER OG : rot 29:sc= 1.29 USER MOD Single : A 33 HIS : no HD1:sc= -0.291 X(o=-0.29,f=0) USER MOD Single : A 35 HIS : no HD1:sc= -0.637 K(o=-0.64,f=-0.11) USER MOD Single : A 37 LYS NZ :NH3+ -167:sc=-0.00666 (180deg=-0.149) USER MOD Single : A 38 LYS NZ :NH3+ 150:sc= 1.26 (180deg=0.338) USER MOD Single : A 43 LYS NZ :NH3+ -156:sc= 1.24 (180deg=0.389) USER MOD Single : A 48 LYS NZ :NH3+ -178:sc= 0.349 (180deg=0.34) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.588 -22.565 4.637 1.00 0.00 N ATOM 2 CA GLY A 1 0.862 -22.287 6.058 1.00 0.00 C ATOM 3 C GLY A 1 -0.081 -21.255 6.620 1.00 0.00 C ATOM 4 O GLY A 1 -1.278 -21.513 6.777 1.00 0.00 O ATOM 0 H1 GLY A 1 1.258 -23.280 4.288 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.384 -22.921 4.534 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.696 -21.690 4.085 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.775 -23.210 6.632 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.889 -21.939 6.168 1.00 0.00 H new ATOM 10 N SER A 2 0.445 -20.085 6.912 1.00 0.00 N ATOM 11 CA SER A 2 -0.345 -19.008 7.453 1.00 0.00 C ATOM 12 C SER A 2 0.238 -17.678 7.010 1.00 0.00 C ATOM 13 O SER A 2 1.430 -17.583 6.705 1.00 0.00 O ATOM 14 CB SER A 2 -0.384 -19.090 8.989 1.00 0.00 C ATOM 15 OG SER A 2 -1.240 -18.097 9.540 1.00 0.00 O ATOM 0 H SER A 2 1.430 -19.857 6.780 1.00 0.00 H new ATOM 0 HA SER A 2 -1.366 -19.093 7.080 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.728 -20.079 9.293 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.623 -18.966 9.387 1.00 0.00 H new ATOM 0 HG SER A 2 -1.246 -18.175 10.517 1.00 0.00 H new ATOM 21 N VAL A 3 -0.594 -16.658 6.979 1.00 0.00 N ATOM 22 CA VAL A 3 -0.171 -15.330 6.578 1.00 0.00 C ATOM 23 C VAL A 3 -0.393 -14.378 7.751 1.00 0.00 C ATOM 24 O VAL A 3 -0.053 -13.195 7.694 1.00 0.00 O ATOM 25 CB VAL A 3 -0.958 -14.825 5.335 1.00 0.00 C ATOM 26 CG1 VAL A 3 -0.265 -13.624 4.700 1.00 0.00 C ATOM 27 CG2 VAL A 3 -1.137 -15.941 4.312 1.00 0.00 C ATOM 0 H VAL A 3 -1.580 -16.724 7.230 1.00 0.00 H new ATOM 0 HA VAL A 3 0.883 -15.366 6.303 1.00 0.00 H new ATOM 0 HB VAL A 3 -1.945 -14.510 5.673 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -0.836 -13.291 3.833 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -0.203 -12.814 5.427 1.00 0.00 H new ATOM 0 HG13 VAL A 3 0.739 -13.908 4.386 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -1.690 -15.562 3.453 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -0.159 -16.296 3.986 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.690 -16.764 4.765 1.00 0.00 H new ATOM 37 N GLU A 4 -0.977 -14.935 8.820 1.00 0.00 N ATOM 38 CA GLU A 4 -1.247 -14.219 10.050 1.00 0.00 C ATOM 39 C GLU A 4 -2.187 -13.046 9.836 1.00 0.00 C ATOM 40 O GLU A 4 -1.761 -11.896 9.891 1.00 0.00 O ATOM 41 CB GLU A 4 0.058 -13.777 10.720 1.00 0.00 C ATOM 42 CG GLU A 4 0.926 -14.950 11.149 1.00 0.00 C ATOM 43 CD GLU A 4 2.146 -14.533 11.926 1.00 0.00 C ATOM 44 OE1 GLU A 4 3.251 -14.526 11.348 1.00 0.00 O ATOM 45 OE2 GLU A 4 2.012 -14.229 13.132 1.00 0.00 O ATOM 0 H GLU A 4 -1.275 -15.910 8.844 1.00 0.00 H new ATOM 0 HA GLU A 4 -1.757 -14.909 10.723 1.00 0.00 H new ATOM 0 HB2 GLU A 4 0.620 -13.148 10.030 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -0.175 -13.165 11.592 1.00 0.00 H new ATOM 0 HG2 GLU A 4 0.331 -15.630 11.758 1.00 0.00 H new ATOM 0 HG3 GLU A 4 1.239 -15.505 10.264 1.00 0.00 H new ATOM 52 N LYS A 5 -3.495 -13.338 9.568 1.00 0.00 N ATOM 53 CA LYS A 5 -4.488 -12.293 9.322 1.00 0.00 C ATOM 54 C LYS A 5 -4.081 -11.444 8.135 1.00 0.00 C ATOM 55 O LYS A 5 -4.521 -10.299 7.990 1.00 0.00 O ATOM 56 CB LYS A 5 -4.669 -11.433 10.576 1.00 0.00 C ATOM 57 CG LYS A 5 -5.160 -12.223 11.776 1.00 0.00 C ATOM 58 CD LYS A 5 -5.159 -11.389 13.040 1.00 0.00 C ATOM 59 CE LYS A 5 -5.596 -12.218 14.234 1.00 0.00 C ATOM 60 NZ LYS A 5 -5.499 -11.461 15.502 1.00 0.00 N ATOM 0 H LYS A 5 -3.866 -14.287 9.521 1.00 0.00 H new ATOM 0 HA LYS A 5 -5.443 -12.762 9.087 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -3.719 -10.960 10.825 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -5.377 -10.633 10.361 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.169 -12.588 11.582 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -4.526 -13.098 11.918 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -4.161 -10.988 13.216 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -5.828 -10.537 12.919 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -6.624 -12.550 14.088 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -4.978 -13.114 14.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -5.807 -12.065 16.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -4.514 -11.166 15.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -6.108 -10.620 15.452 1.00 0.00 H new ATOM 74 N LEU A 6 -3.245 -12.038 7.274 1.00 0.00 N ATOM 75 CA LEU A 6 -2.709 -11.363 6.108 1.00 0.00 C ATOM 76 C LEU A 6 -1.840 -10.192 6.549 1.00 0.00 C ATOM 77 O LEU A 6 -1.742 -9.183 5.856 1.00 0.00 O ATOM 78 CB LEU A 6 -3.841 -10.875 5.182 1.00 0.00 C ATOM 79 CG LEU A 6 -4.805 -11.952 4.666 1.00 0.00 C ATOM 80 CD1 LEU A 6 -5.888 -11.326 3.806 1.00 0.00 C ATOM 81 CD2 LEU A 6 -4.053 -13.020 3.882 1.00 0.00 C ATOM 0 H LEU A 6 -2.927 -13.002 7.375 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.100 -12.070 5.545 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.421 -10.123 5.717 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.391 -10.378 4.323 1.00 0.00 H new ATOM 0 HG LEU A 6 -5.276 -12.429 5.526 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -6.563 -12.103 3.448 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -6.449 -10.602 4.397 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -5.431 -10.822 2.954 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -4.756 -13.773 3.526 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -3.551 -12.561 3.030 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.313 -13.492 4.528 1.00 0.00 H new ATOM 93 N THR A 7 -1.192 -10.331 7.708 1.00 0.00 N ATOM 94 CA THR A 7 -0.387 -9.286 8.223 1.00 0.00 C ATOM 95 C THR A 7 0.804 -9.887 8.988 1.00 0.00 C ATOM 96 O THR A 7 0.664 -10.315 10.134 1.00 0.00 O ATOM 97 CB THR A 7 -1.205 -8.403 9.198 1.00 0.00 C ATOM 98 OG1 THR A 7 -2.372 -7.894 8.527 1.00 0.00 O ATOM 99 CG2 THR A 7 -0.364 -7.235 9.705 1.00 0.00 C ATOM 0 H THR A 7 -1.226 -11.169 8.289 1.00 0.00 H new ATOM 0 HA THR A 7 -0.036 -8.677 7.390 1.00 0.00 H new ATOM 0 HB THR A 7 -1.504 -9.015 10.049 1.00 0.00 H new ATOM 0 HG1 THR A 7 -3.012 -8.623 8.386 1.00 0.00 H new ATOM 0 HG21 THR A 7 -0.958 -6.628 10.388 1.00 0.00 H new ATOM 0 HG22 THR A 7 0.512 -7.618 10.228 1.00 0.00 H new ATOM 0 HG23 THR A 7 -0.044 -6.624 8.861 1.00 0.00 H new ATOM 107 N ALA A 8 1.952 -9.916 8.355 1.00 0.00 N ATOM 108 CA ALA A 8 3.176 -10.355 8.990 1.00 0.00 C ATOM 109 C ALA A 8 4.364 -9.722 8.296 1.00 0.00 C ATOM 110 O ALA A 8 5.246 -9.162 8.941 1.00 0.00 O ATOM 111 CB ALA A 8 3.285 -11.876 8.961 1.00 0.00 C ATOM 0 H ALA A 8 2.066 -9.635 7.381 1.00 0.00 H new ATOM 0 HA ALA A 8 3.165 -10.041 10.034 1.00 0.00 H new ATOM 0 HB1 ALA A 8 4.213 -12.184 9.444 1.00 0.00 H new ATOM 0 HB2 ALA A 8 2.438 -12.312 9.491 1.00 0.00 H new ATOM 0 HB3 ALA A 8 3.282 -12.221 7.927 1.00 0.00 H new ATOM 117 N ASP A 9 4.352 -9.769 6.963 1.00 0.00 N ATOM 118 CA ASP A 9 5.446 -9.211 6.160 1.00 0.00 C ATOM 119 C ASP A 9 5.573 -7.718 6.404 1.00 0.00 C ATOM 120 O ASP A 9 6.671 -7.178 6.474 1.00 0.00 O ATOM 121 CB ASP A 9 5.222 -9.471 4.666 1.00 0.00 C ATOM 122 CG ASP A 9 5.219 -10.943 4.320 1.00 0.00 C ATOM 123 OD1 ASP A 9 6.293 -11.490 3.996 1.00 0.00 O ATOM 124 OD2 ASP A 9 4.139 -11.566 4.359 1.00 0.00 O ATOM 0 H ASP A 9 3.599 -10.186 6.416 1.00 0.00 H new ATOM 0 HA ASP A 9 6.368 -9.706 6.464 1.00 0.00 H new ATOM 0 HB2 ASP A 9 4.272 -9.030 4.364 1.00 0.00 H new ATOM 0 HB3 ASP A 9 6.003 -8.970 4.094 1.00 0.00 H new ATOM 129 N ALA A 10 4.436 -7.064 6.532 1.00 0.00 N ATOM 130 CA ALA A 10 4.381 -5.610 6.792 1.00 0.00 C ATOM 131 C ALA A 10 5.093 -5.237 8.088 1.00 0.00 C ATOM 132 O ALA A 10 5.684 -4.160 8.198 1.00 0.00 O ATOM 133 CB ALA A 10 2.934 -5.114 6.827 1.00 0.00 C ATOM 0 H ALA A 10 3.520 -7.508 6.462 1.00 0.00 H new ATOM 0 HA ALA A 10 4.902 -5.120 5.970 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.922 -4.041 7.020 1.00 0.00 H new ATOM 0 HB2 ALA A 10 2.457 -5.316 5.868 1.00 0.00 H new ATOM 0 HB3 ALA A 10 2.391 -5.631 7.618 1.00 0.00 H new ATOM 139 N GLU A 11 5.045 -6.127 9.060 1.00 0.00 N ATOM 140 CA GLU A 11 5.710 -5.888 10.333 1.00 0.00 C ATOM 141 C GLU A 11 7.209 -6.047 10.158 1.00 0.00 C ATOM 142 O GLU A 11 8.006 -5.469 10.897 1.00 0.00 O ATOM 143 CB GLU A 11 5.193 -6.849 11.414 1.00 0.00 C ATOM 144 CG GLU A 11 3.716 -6.673 11.747 1.00 0.00 C ATOM 145 CD GLU A 11 3.394 -5.273 12.220 1.00 0.00 C ATOM 146 OE1 GLU A 11 3.516 -5.007 13.436 1.00 0.00 O ATOM 147 OE2 GLU A 11 3.026 -4.427 11.382 1.00 0.00 O ATOM 0 H GLU A 11 4.556 -7.020 8.997 1.00 0.00 H new ATOM 0 HA GLU A 11 5.489 -4.871 10.658 1.00 0.00 H new ATOM 0 HB2 GLU A 11 5.361 -7.874 11.084 1.00 0.00 H new ATOM 0 HB3 GLU A 11 5.779 -6.707 12.322 1.00 0.00 H new ATOM 0 HG2 GLU A 11 3.118 -6.902 10.865 1.00 0.00 H new ATOM 0 HG3 GLU A 11 3.433 -7.388 12.519 1.00 0.00 H new ATOM 154 N LEU A 12 7.577 -6.806 9.143 1.00 0.00 N ATOM 155 CA LEU A 12 8.974 -7.068 8.839 1.00 0.00 C ATOM 156 C LEU A 12 9.544 -5.886 8.067 1.00 0.00 C ATOM 157 O LEU A 12 10.678 -5.469 8.294 1.00 0.00 O ATOM 158 CB LEU A 12 9.126 -8.354 7.994 1.00 0.00 C ATOM 159 CG LEU A 12 8.245 -9.558 8.390 1.00 0.00 C ATOM 160 CD1 LEU A 12 8.626 -10.788 7.600 1.00 0.00 C ATOM 161 CD2 LEU A 12 8.304 -9.825 9.881 1.00 0.00 C ATOM 0 H LEU A 12 6.920 -7.258 8.507 1.00 0.00 H new ATOM 0 HA LEU A 12 9.515 -7.206 9.775 1.00 0.00 H new ATOM 0 HB2 LEU A 12 8.912 -8.104 6.955 1.00 0.00 H new ATOM 0 HB3 LEU A 12 10.169 -8.668 8.038 1.00 0.00 H new ATOM 0 HG LEU A 12 7.213 -9.306 8.146 1.00 0.00 H new ATOM 0 HD11 LEU A 12 7.991 -11.623 7.897 1.00 0.00 H new ATOM 0 HD12 LEU A 12 8.494 -10.592 6.536 1.00 0.00 H new ATOM 0 HD13 LEU A 12 9.669 -11.038 7.796 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.672 -10.679 10.123 1.00 0.00 H new ATOM 0 HD22 LEU A 12 9.332 -10.041 10.172 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.951 -8.947 10.422 1.00 0.00 H new ATOM 173 N GLN A 13 8.732 -5.350 7.156 1.00 0.00 N ATOM 174 CA GLN A 13 9.111 -4.194 6.343 1.00 0.00 C ATOM 175 C GLN A 13 9.459 -3.012 7.234 1.00 0.00 C ATOM 176 O GLN A 13 10.455 -2.323 7.012 1.00 0.00 O ATOM 177 CB GLN A 13 7.967 -3.813 5.402 1.00 0.00 C ATOM 178 CG GLN A 13 7.563 -4.921 4.443 1.00 0.00 C ATOM 179 CD GLN A 13 6.325 -4.576 3.638 1.00 0.00 C ATOM 180 OE1 GLN A 13 5.459 -3.832 4.096 1.00 0.00 O ATOM 181 NE2 GLN A 13 6.232 -5.114 2.440 1.00 0.00 N ATOM 0 H GLN A 13 7.795 -5.704 6.961 1.00 0.00 H new ATOM 0 HA GLN A 13 9.987 -4.460 5.751 1.00 0.00 H new ATOM 0 HB2 GLN A 13 7.100 -3.527 5.997 1.00 0.00 H new ATOM 0 HB3 GLN A 13 8.261 -2.936 4.825 1.00 0.00 H new ATOM 0 HG2 GLN A 13 8.389 -5.125 3.762 1.00 0.00 H new ATOM 0 HG3 GLN A 13 7.381 -5.836 5.007 1.00 0.00 H new ATOM 0 HE21 GLN A 13 6.972 -5.726 2.097 1.00 0.00 H new ATOM 0 HE22 GLN A 13 5.420 -4.919 1.855 1.00 0.00 H new ATOM 190 N ARG A 14 8.631 -2.790 8.249 1.00 0.00 N ATOM 191 CA ARG A 14 8.861 -1.707 9.206 1.00 0.00 C ATOM 192 C ARG A 14 10.210 -1.892 9.895 1.00 0.00 C ATOM 193 O ARG A 14 10.996 -0.951 10.005 1.00 0.00 O ATOM 194 CB ARG A 14 7.742 -1.663 10.257 1.00 0.00 C ATOM 195 CG ARG A 14 7.908 -0.562 11.288 1.00 0.00 C ATOM 196 CD ARG A 14 6.997 -0.791 12.474 1.00 0.00 C ATOM 197 NE ARG A 14 7.355 -2.012 13.205 1.00 0.00 N ATOM 198 CZ ARG A 14 6.482 -2.935 13.627 1.00 0.00 C ATOM 199 NH1 ARG A 14 5.179 -2.792 13.386 1.00 0.00 N ATOM 200 NH2 ARG A 14 6.917 -4.005 14.286 1.00 0.00 N ATOM 0 H ARG A 14 7.794 -3.344 8.433 1.00 0.00 H new ATOM 0 HA ARG A 14 8.863 -0.764 8.660 1.00 0.00 H new ATOM 0 HB2 ARG A 14 6.786 -1.531 9.750 1.00 0.00 H new ATOM 0 HB3 ARG A 14 7.701 -2.624 10.770 1.00 0.00 H new ATOM 0 HG2 ARG A 14 8.945 -0.525 11.623 1.00 0.00 H new ATOM 0 HG3 ARG A 14 7.685 0.403 10.834 1.00 0.00 H new ATOM 0 HD2 ARG A 14 7.052 0.065 13.146 1.00 0.00 H new ATOM 0 HD3 ARG A 14 5.965 -0.861 12.132 1.00 0.00 H new ATOM 0 HE ARG A 14 8.342 -2.169 13.407 1.00 0.00 H new ATOM 0 HH11 ARG A 14 4.841 -1.975 12.877 1.00 0.00 H new ATOM 0 HH12 ARG A 14 4.520 -3.499 13.711 1.00 0.00 H new ATOM 0 HH21 ARG A 14 7.914 -4.121 14.469 1.00 0.00 H new ATOM 0 HH22 ARG A 14 6.254 -4.710 14.609 1.00 0.00 H new ATOM 214 N LEU A 15 10.468 -3.121 10.341 1.00 0.00 N ATOM 215 CA LEU A 15 11.719 -3.459 11.013 1.00 0.00 C ATOM 216 C LEU A 15 12.916 -3.163 10.108 1.00 0.00 C ATOM 217 O LEU A 15 13.917 -2.594 10.554 1.00 0.00 O ATOM 218 CB LEU A 15 11.720 -4.935 11.428 1.00 0.00 C ATOM 219 CG LEU A 15 12.955 -5.412 12.202 1.00 0.00 C ATOM 220 CD1 LEU A 15 13.061 -4.700 13.544 1.00 0.00 C ATOM 221 CD2 LEU A 15 12.914 -6.921 12.395 1.00 0.00 C ATOM 0 H LEU A 15 9.821 -3.904 10.247 1.00 0.00 H new ATOM 0 HA LEU A 15 11.804 -2.843 11.908 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.837 -5.121 12.040 1.00 0.00 H new ATOM 0 HB3 LEU A 15 11.620 -5.545 10.530 1.00 0.00 H new ATOM 0 HG LEU A 15 13.841 -5.165 11.617 1.00 0.00 H new ATOM 0 HD11 LEU A 15 13.944 -5.054 14.075 1.00 0.00 H new ATOM 0 HD12 LEU A 15 13.143 -3.625 13.380 1.00 0.00 H new ATOM 0 HD13 LEU A 15 12.172 -4.910 14.138 1.00 0.00 H new ATOM 0 HD21 LEU A 15 13.798 -7.241 12.946 1.00 0.00 H new ATOM 0 HD22 LEU A 15 12.019 -7.192 12.955 1.00 0.00 H new ATOM 0 HD23 LEU A 15 12.895 -7.412 11.422 1.00 0.00 H new ATOM 233 N LYS A 16 12.803 -3.553 8.838 1.00 0.00 N ATOM 234 CA LYS A 16 13.860 -3.308 7.858 1.00 0.00 C ATOM 235 C LYS A 16 14.176 -1.821 7.756 1.00 0.00 C ATOM 236 O LYS A 16 15.333 -1.420 7.838 1.00 0.00 O ATOM 237 CB LYS A 16 13.468 -3.855 6.477 1.00 0.00 C ATOM 238 CG LYS A 16 13.189 -5.343 6.458 1.00 0.00 C ATOM 239 CD LYS A 16 12.858 -5.829 5.059 1.00 0.00 C ATOM 240 CE LYS A 16 12.511 -7.311 5.055 1.00 0.00 C ATOM 241 NZ LYS A 16 13.607 -8.142 5.612 1.00 0.00 N ATOM 0 H LYS A 16 11.989 -4.040 8.464 1.00 0.00 H new ATOM 0 HA LYS A 16 14.752 -3.832 8.200 1.00 0.00 H new ATOM 0 HB2 LYS A 16 12.582 -3.326 6.127 1.00 0.00 H new ATOM 0 HB3 LYS A 16 14.269 -3.637 5.771 1.00 0.00 H new ATOM 0 HG2 LYS A 16 14.058 -5.882 6.835 1.00 0.00 H new ATOM 0 HG3 LYS A 16 12.359 -5.567 7.128 1.00 0.00 H new ATOM 0 HD2 LYS A 16 12.020 -5.256 4.662 1.00 0.00 H new ATOM 0 HD3 LYS A 16 13.707 -5.651 4.399 1.00 0.00 H new ATOM 0 HE2 LYS A 16 11.603 -7.472 5.636 1.00 0.00 H new ATOM 0 HE3 LYS A 16 12.297 -7.630 4.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 13.421 -9.145 5.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 14.510 -7.862 5.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 13.659 -8.003 6.641 1.00 0.00 H new ATOM 255 N ASN A 17 13.133 -1.007 7.602 1.00 0.00 N ATOM 256 CA ASN A 17 13.296 0.442 7.477 1.00 0.00 C ATOM 257 C ASN A 17 13.909 1.019 8.734 1.00 0.00 C ATOM 258 O ASN A 17 14.847 1.812 8.674 1.00 0.00 O ATOM 259 CB ASN A 17 11.946 1.126 7.223 1.00 0.00 C ATOM 260 CG ASN A 17 11.282 0.686 5.934 1.00 0.00 C ATOM 261 OD1 ASN A 17 11.949 0.339 4.958 1.00 0.00 O ATOM 262 ND2 ASN A 17 9.961 0.708 5.921 1.00 0.00 N ATOM 0 H ASN A 17 12.165 -1.326 7.561 1.00 0.00 H new ATOM 0 HA ASN A 17 13.957 0.626 6.630 1.00 0.00 H new ATOM 0 HB2 ASN A 17 11.278 0.915 8.058 1.00 0.00 H new ATOM 0 HB3 ASN A 17 12.093 2.206 7.197 1.00 0.00 H new ATOM 0 HD21 ASN A 17 9.455 0.431 5.080 1.00 0.00 H new ATOM 0 HD22 ASN A 17 9.448 1.002 6.752 1.00 0.00 H new ATOM 269 N GLU A 18 13.384 0.598 9.869 1.00 0.00 N ATOM 270 CA GLU A 18 13.826 1.089 11.161 1.00 0.00 C ATOM 271 C GLU A 18 15.296 0.754 11.427 1.00 0.00 C ATOM 272 O GLU A 18 16.072 1.626 11.826 1.00 0.00 O ATOM 273 CB GLU A 18 12.933 0.525 12.266 1.00 0.00 C ATOM 274 CG GLU A 18 13.274 1.025 13.653 1.00 0.00 C ATOM 275 CD GLU A 18 12.245 0.622 14.677 1.00 0.00 C ATOM 276 OE1 GLU A 18 12.271 -0.538 15.132 1.00 0.00 O ATOM 277 OE2 GLU A 18 11.403 1.470 15.038 1.00 0.00 O ATOM 0 H GLU A 18 12.638 -0.095 9.922 1.00 0.00 H new ATOM 0 HA GLU A 18 13.742 2.176 11.154 1.00 0.00 H new ATOM 0 HB2 GLU A 18 11.896 0.779 12.045 1.00 0.00 H new ATOM 0 HB3 GLU A 18 13.004 -0.563 12.256 1.00 0.00 H new ATOM 0 HG2 GLU A 18 14.248 0.635 13.948 1.00 0.00 H new ATOM 0 HG3 GLU A 18 13.358 2.112 13.634 1.00 0.00 H new ATOM 284 N ARG A 19 15.682 -0.495 11.189 1.00 0.00 N ATOM 285 CA ARG A 19 17.065 -0.908 11.438 1.00 0.00 C ATOM 286 C ARG A 19 18.000 -0.323 10.385 1.00 0.00 C ATOM 287 O ARG A 19 19.173 -0.065 10.657 1.00 0.00 O ATOM 288 CB ARG A 19 17.207 -2.436 11.493 1.00 0.00 C ATOM 289 CG ARG A 19 18.526 -2.892 12.104 1.00 0.00 C ATOM 290 CD ARG A 19 18.640 -4.403 12.130 1.00 0.00 C ATOM 291 NE ARG A 19 18.829 -4.971 10.794 1.00 0.00 N ATOM 292 CZ ARG A 19 18.652 -6.262 10.495 1.00 0.00 C ATOM 293 NH1 ARG A 19 18.199 -7.113 11.420 1.00 0.00 N ATOM 294 NH2 ARG A 19 18.910 -6.702 9.268 1.00 0.00 N ATOM 0 H ARG A 19 15.072 -1.230 10.831 1.00 0.00 H new ATOM 0 HA ARG A 19 17.348 -0.517 12.416 1.00 0.00 H new ATOM 0 HB2 ARG A 19 16.382 -2.851 12.073 1.00 0.00 H new ATOM 0 HB3 ARG A 19 17.122 -2.839 10.484 1.00 0.00 H new ATOM 0 HG2 ARG A 19 19.355 -2.474 11.533 1.00 0.00 H new ATOM 0 HG3 ARG A 19 18.610 -2.503 13.119 1.00 0.00 H new ATOM 0 HD2 ARG A 19 19.477 -4.691 12.766 1.00 0.00 H new ATOM 0 HD3 ARG A 19 17.740 -4.825 12.577 1.00 0.00 H new ATOM 0 HE ARG A 19 19.114 -4.342 10.043 1.00 0.00 H new ATOM 0 HH11 ARG A 19 17.986 -6.779 12.360 1.00 0.00 H new ATOM 0 HH12 ARG A 19 18.066 -8.097 11.186 1.00 0.00 H new ATOM 0 HH21 ARG A 19 19.243 -6.055 8.554 1.00 0.00 H new ATOM 0 HH22 ARG A 19 18.775 -7.687 9.041 1.00 0.00 H new ATOM 308 N HIS A 20 17.472 -0.103 9.189 1.00 0.00 N ATOM 309 CA HIS A 20 18.260 0.513 8.124 1.00 0.00 C ATOM 310 C HIS A 20 18.528 1.964 8.479 1.00 0.00 C ATOM 311 O HIS A 20 19.638 2.467 8.292 1.00 0.00 O ATOM 312 CB HIS A 20 17.555 0.419 6.759 1.00 0.00 C ATOM 313 CG HIS A 20 18.342 1.041 5.645 1.00 0.00 C ATOM 314 ND1 HIS A 20 17.983 2.223 5.042 1.00 0.00 N ATOM 315 CD2 HIS A 20 19.483 0.641 5.033 1.00 0.00 C ATOM 316 CE1 HIS A 20 18.859 2.528 4.114 1.00 0.00 C ATOM 317 NE2 HIS A 20 19.786 1.587 4.084 1.00 0.00 N ATOM 0 H HIS A 20 16.513 -0.338 8.931 1.00 0.00 H new ATOM 0 HA HIS A 20 19.201 -0.030 8.037 1.00 0.00 H new ATOM 0 HB2 HIS A 20 17.370 -0.629 6.524 1.00 0.00 H new ATOM 0 HB3 HIS A 20 16.583 0.907 6.825 1.00 0.00 H new ATOM 0 HD2 HIS A 20 20.048 -0.253 5.250 1.00 0.00 H new ATOM 0 HE1 HIS A 20 18.828 3.402 3.481 1.00 0.00 H new ATOM 0 HE2 HIS A 20 20.593 1.566 3.460 1.00 0.00 H new ATOM 325 N GLU A 21 17.501 2.625 9.002 1.00 0.00 N ATOM 326 CA GLU A 21 17.623 4.005 9.458 1.00 0.00 C ATOM 327 C GLU A 21 18.628 4.083 10.597 1.00 0.00 C ATOM 328 O GLU A 21 19.311 5.093 10.778 1.00 0.00 O ATOM 329 CB GLU A 21 16.269 4.561 9.912 1.00 0.00 C ATOM 330 CG GLU A 21 16.325 6.006 10.365 1.00 0.00 C ATOM 331 CD GLU A 21 14.987 6.516 10.818 1.00 0.00 C ATOM 332 OE1 GLU A 21 14.626 6.283 11.991 1.00 0.00 O ATOM 333 OE2 GLU A 21 14.290 7.160 10.009 1.00 0.00 O ATOM 0 H GLU A 21 16.570 2.225 9.121 1.00 0.00 H new ATOM 0 HA GLU A 21 17.972 4.612 8.623 1.00 0.00 H new ATOM 0 HB2 GLU A 21 15.557 4.474 9.091 1.00 0.00 H new ATOM 0 HB3 GLU A 21 15.890 3.948 10.729 1.00 0.00 H new ATOM 0 HG2 GLU A 21 17.042 6.101 11.180 1.00 0.00 H new ATOM 0 HG3 GLU A 21 16.689 6.627 9.546 1.00 0.00 H new ATOM 340 N GLU A 22 18.724 3.009 11.356 1.00 0.00 N ATOM 341 CA GLU A 22 19.681 2.941 12.434 1.00 0.00 C ATOM 342 C GLU A 22 21.088 2.802 11.855 1.00 0.00 C ATOM 343 O GLU A 22 21.973 3.582 12.187 1.00 0.00 O ATOM 344 CB GLU A 22 19.349 1.795 13.413 1.00 0.00 C ATOM 345 CG GLU A 22 20.355 1.635 14.537 1.00 0.00 C ATOM 346 CD GLU A 22 19.898 0.639 15.577 1.00 0.00 C ATOM 347 OE1 GLU A 22 19.791 -0.566 15.254 1.00 0.00 O ATOM 348 OE2 GLU A 22 19.642 1.055 16.721 1.00 0.00 O ATOM 0 H GLU A 22 18.150 2.174 11.243 1.00 0.00 H new ATOM 0 HA GLU A 22 19.631 3.864 13.011 1.00 0.00 H new ATOM 0 HB2 GLU A 22 18.363 1.972 13.843 1.00 0.00 H new ATOM 0 HB3 GLU A 22 19.290 0.860 12.856 1.00 0.00 H new ATOM 0 HG2 GLU A 22 21.311 1.313 14.123 1.00 0.00 H new ATOM 0 HG3 GLU A 22 20.523 2.602 15.012 1.00 0.00 H new ATOM 355 N ALA A 23 21.285 1.796 10.988 1.00 0.00 N ATOM 356 CA ALA A 23 22.568 1.590 10.288 1.00 0.00 C ATOM 357 C ALA A 23 23.119 2.874 9.684 1.00 0.00 C ATOM 358 O ALA A 23 24.296 3.173 9.836 1.00 0.00 O ATOM 359 CB ALA A 23 22.433 0.531 9.191 1.00 0.00 C ATOM 0 H ALA A 23 20.570 1.108 10.753 1.00 0.00 H new ATOM 0 HA ALA A 23 23.273 1.245 11.045 1.00 0.00 H new ATOM 0 HB1 ALA A 23 23.393 0.400 8.692 1.00 0.00 H new ATOM 0 HB2 ALA A 23 22.122 -0.415 9.635 1.00 0.00 H new ATOM 0 HB3 ALA A 23 21.687 0.853 8.464 1.00 0.00 H new ATOM 365 N GLU A 24 22.270 3.641 9.005 1.00 0.00 N ATOM 366 CA GLU A 24 22.745 4.866 8.372 1.00 0.00 C ATOM 367 C GLU A 24 23.155 5.887 9.426 1.00 0.00 C ATOM 368 O GLU A 24 24.188 6.528 9.297 1.00 0.00 O ATOM 369 CB GLU A 24 21.720 5.450 7.385 1.00 0.00 C ATOM 370 CG GLU A 24 20.394 5.833 8.000 1.00 0.00 C ATOM 371 CD GLU A 24 19.452 6.448 6.998 1.00 0.00 C ATOM 372 OE1 GLU A 24 18.729 5.697 6.313 1.00 0.00 O ATOM 373 OE2 GLU A 24 19.426 7.695 6.885 1.00 0.00 O ATOM 0 H GLU A 24 21.277 3.444 8.881 1.00 0.00 H new ATOM 0 HA GLU A 24 23.625 4.610 7.782 1.00 0.00 H new ATOM 0 HB2 GLU A 24 22.153 6.331 6.912 1.00 0.00 H new ATOM 0 HB3 GLU A 24 21.541 4.720 6.595 1.00 0.00 H new ATOM 0 HG2 GLU A 24 19.930 4.948 8.436 1.00 0.00 H new ATOM 0 HG3 GLU A 24 20.564 6.537 8.814 1.00 0.00 H new ATOM 380 N LEU A 25 22.348 6.016 10.474 1.00 0.00 N ATOM 381 CA LEU A 25 22.671 6.898 11.595 1.00 0.00 C ATOM 382 C LEU A 25 24.002 6.476 12.228 1.00 0.00 C ATOM 383 O LEU A 25 24.850 7.312 12.549 1.00 0.00 O ATOM 384 CB LEU A 25 21.549 6.854 12.641 1.00 0.00 C ATOM 385 CG LEU A 25 21.747 7.738 13.871 1.00 0.00 C ATOM 386 CD1 LEU A 25 21.846 9.198 13.470 1.00 0.00 C ATOM 387 CD2 LEU A 25 20.612 7.531 14.861 1.00 0.00 C ATOM 0 H LEU A 25 21.462 5.520 10.572 1.00 0.00 H new ATOM 0 HA LEU A 25 22.765 7.919 11.226 1.00 0.00 H new ATOM 0 HB2 LEU A 25 20.616 7.143 12.157 1.00 0.00 H new ATOM 0 HB3 LEU A 25 21.430 5.823 12.974 1.00 0.00 H new ATOM 0 HG LEU A 25 22.682 7.453 14.353 1.00 0.00 H new ATOM 0 HD11 LEU A 25 21.987 9.811 14.360 1.00 0.00 H new ATOM 0 HD12 LEU A 25 22.693 9.334 12.798 1.00 0.00 H new ATOM 0 HD13 LEU A 25 20.929 9.499 12.963 1.00 0.00 H new ATOM 0 HD21 LEU A 25 20.768 8.168 15.732 1.00 0.00 H new ATOM 0 HD22 LEU A 25 19.665 7.789 14.388 1.00 0.00 H new ATOM 0 HD23 LEU A 25 20.588 6.487 15.175 1.00 0.00 H new ATOM 399 N GLU A 26 24.165 5.172 12.383 1.00 0.00 N ATOM 400 CA GLU A 26 25.395 4.602 12.926 1.00 0.00 C ATOM 401 C GLU A 26 26.591 4.944 12.024 1.00 0.00 C ATOM 402 O GLU A 26 27.717 5.071 12.490 1.00 0.00 O ATOM 403 CB GLU A 26 25.266 3.087 13.105 1.00 0.00 C ATOM 404 CG GLU A 26 26.469 2.453 13.786 1.00 0.00 C ATOM 405 CD GLU A 26 26.318 0.966 13.977 1.00 0.00 C ATOM 406 OE1 GLU A 26 26.499 0.219 13.000 1.00 0.00 O ATOM 407 OE2 GLU A 26 26.039 0.531 15.115 1.00 0.00 O ATOM 0 H GLU A 26 23.456 4.480 12.139 1.00 0.00 H new ATOM 0 HA GLU A 26 25.568 5.041 13.908 1.00 0.00 H new ATOM 0 HB2 GLU A 26 24.372 2.873 13.691 1.00 0.00 H new ATOM 0 HB3 GLU A 26 25.125 2.624 12.128 1.00 0.00 H new ATOM 0 HG2 GLU A 26 27.362 2.649 13.192 1.00 0.00 H new ATOM 0 HG3 GLU A 26 26.622 2.925 14.756 1.00 0.00 H new ATOM 414 N ARG A 27 26.334 5.095 10.740 1.00 0.00 N ATOM 415 CA ARG A 27 27.379 5.482 9.801 1.00 0.00 C ATOM 416 C ARG A 27 27.603 6.991 9.859 1.00 0.00 C ATOM 417 O ARG A 27 28.728 7.471 9.711 1.00 0.00 O ATOM 418 CB ARG A 27 27.023 5.047 8.375 1.00 0.00 C ATOM 419 CG ARG A 27 26.896 3.544 8.221 1.00 0.00 C ATOM 420 CD ARG A 27 26.431 3.153 6.831 1.00 0.00 C ATOM 421 NE ARG A 27 26.289 1.702 6.707 1.00 0.00 N ATOM 422 CZ ARG A 27 25.868 1.064 5.613 1.00 0.00 C ATOM 423 NH1 ARG A 27 25.508 1.745 4.531 1.00 0.00 N ATOM 424 NH2 ARG A 27 25.801 -0.261 5.609 1.00 0.00 N ATOM 0 H ARG A 27 25.415 4.957 10.320 1.00 0.00 H new ATOM 0 HA ARG A 27 28.302 4.977 10.086 1.00 0.00 H new ATOM 0 HB2 ARG A 27 26.083 5.516 8.083 1.00 0.00 H new ATOM 0 HB3 ARG A 27 27.788 5.412 7.689 1.00 0.00 H new ATOM 0 HG2 ARG A 27 27.859 3.076 8.426 1.00 0.00 H new ATOM 0 HG3 ARG A 27 26.192 3.162 8.960 1.00 0.00 H new ATOM 0 HD2 ARG A 27 25.477 3.634 6.616 1.00 0.00 H new ATOM 0 HD3 ARG A 27 27.145 3.515 6.091 1.00 0.00 H new ATOM 0 HE ARG A 27 26.530 1.134 7.519 1.00 0.00 H new ATOM 0 HH11 ARG A 27 25.552 2.764 4.532 1.00 0.00 H new ATOM 0 HH12 ARG A 27 25.188 1.249 3.699 1.00 0.00 H new ATOM 0 HH21 ARG A 27 26.071 -0.788 6.440 1.00 0.00 H new ATOM 0 HH22 ARG A 27 25.480 -0.753 4.775 1.00 0.00 H new ATOM 438 N LEU A 28 26.528 7.730 10.100 1.00 0.00 N ATOM 439 CA LEU A 28 26.594 9.184 10.201 1.00 0.00 C ATOM 440 C LEU A 28 27.430 9.615 11.398 1.00 0.00 C ATOM 441 O LEU A 28 28.123 10.636 11.345 1.00 0.00 O ATOM 442 CB LEU A 28 25.189 9.794 10.308 1.00 0.00 C ATOM 443 CG LEU A 28 24.250 9.532 9.129 1.00 0.00 C ATOM 444 CD1 LEU A 28 22.907 10.202 9.359 1.00 0.00 C ATOM 445 CD2 LEU A 28 24.869 10.015 7.828 1.00 0.00 C ATOM 0 H LEU A 28 25.593 7.344 10.230 1.00 0.00 H new ATOM 0 HA LEU A 28 27.070 9.550 9.291 1.00 0.00 H new ATOM 0 HB2 LEU A 28 24.717 9.412 11.214 1.00 0.00 H new ATOM 0 HB3 LEU A 28 25.292 10.872 10.432 1.00 0.00 H new ATOM 0 HG LEU A 28 24.092 8.456 9.053 1.00 0.00 H new ATOM 0 HD11 LEU A 28 22.252 10.005 8.510 1.00 0.00 H new ATOM 0 HD12 LEU A 28 22.453 9.805 10.267 1.00 0.00 H new ATOM 0 HD13 LEU A 28 23.050 11.277 9.465 1.00 0.00 H new ATOM 0 HD21 LEU A 28 24.183 9.818 7.004 1.00 0.00 H new ATOM 0 HD22 LEU A 28 25.061 11.086 7.892 1.00 0.00 H new ATOM 0 HD23 LEU A 28 25.807 9.488 7.654 1.00 0.00 H new ATOM 457 N LYS A 29 27.381 8.834 12.479 1.00 0.00 N ATOM 458 CA LYS A 29 28.144 9.170 13.667 1.00 0.00 C ATOM 459 C LYS A 29 29.635 8.992 13.417 1.00 0.00 C ATOM 460 O LYS A 29 30.450 9.752 13.939 1.00 0.00 O ATOM 461 CB LYS A 29 27.660 8.389 14.923 1.00 0.00 C ATOM 462 CG LYS A 29 27.811 6.869 14.867 1.00 0.00 C ATOM 463 CD LYS A 29 29.210 6.405 15.277 1.00 0.00 C ATOM 464 CE LYS A 29 29.338 4.890 15.189 1.00 0.00 C ATOM 465 NZ LYS A 29 30.684 4.414 15.598 1.00 0.00 N ATOM 0 H LYS A 29 26.829 7.980 12.550 1.00 0.00 H new ATOM 0 HA LYS A 29 27.967 10.223 13.885 1.00 0.00 H new ATOM 0 HB2 LYS A 29 28.210 8.757 15.789 1.00 0.00 H new ATOM 0 HB3 LYS A 29 26.609 8.624 15.089 1.00 0.00 H new ATOM 0 HG2 LYS A 29 27.072 6.409 15.523 1.00 0.00 H new ATOM 0 HG3 LYS A 29 27.599 6.523 13.856 1.00 0.00 H new ATOM 0 HD2 LYS A 29 29.954 6.873 14.633 1.00 0.00 H new ATOM 0 HD3 LYS A 29 29.420 6.731 16.296 1.00 0.00 H new ATOM 0 HE2 LYS A 29 28.583 4.426 15.823 1.00 0.00 H new ATOM 0 HE3 LYS A 29 29.137 4.569 14.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 30.634 3.406 15.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 31.352 4.542 14.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 31.010 4.960 16.421 1.00 0.00 H new ATOM 479 N SER A 30 30.000 8.005 12.600 1.00 0.00 N ATOM 480 CA SER A 30 31.384 7.813 12.258 1.00 0.00 C ATOM 481 C SER A 30 31.851 8.883 11.275 1.00 0.00 C ATOM 482 O SER A 30 33.017 9.253 11.273 1.00 0.00 O ATOM 483 CB SER A 30 31.622 6.402 11.712 1.00 0.00 C ATOM 484 OG SER A 30 30.540 5.967 10.908 1.00 0.00 O ATOM 0 H SER A 30 29.355 7.340 12.173 1.00 0.00 H new ATOM 0 HA SER A 30 31.979 7.916 13.165 1.00 0.00 H new ATOM 0 HB2 SER A 30 32.541 6.388 11.126 1.00 0.00 H new ATOM 0 HB3 SER A 30 31.762 5.709 12.541 1.00 0.00 H new ATOM 0 HG SER A 30 30.108 6.743 10.494 1.00 0.00 H new ATOM 490 N GLU A 31 30.926 9.394 10.446 1.00 0.00 N ATOM 491 CA GLU A 31 31.258 10.482 9.527 1.00 0.00 C ATOM 492 C GLU A 31 31.591 11.723 10.332 1.00 0.00 C ATOM 493 O GLU A 31 32.531 12.448 10.020 1.00 0.00 O ATOM 494 CB GLU A 31 30.105 10.792 8.570 1.00 0.00 C ATOM 495 CG GLU A 31 29.659 9.614 7.732 1.00 0.00 C ATOM 496 CD GLU A 31 28.855 10.034 6.526 1.00 0.00 C ATOM 497 OE1 GLU A 31 27.838 10.726 6.695 1.00 0.00 O ATOM 498 OE2 GLU A 31 29.240 9.665 5.395 1.00 0.00 O ATOM 0 H GLU A 31 29.959 9.074 10.397 1.00 0.00 H new ATOM 0 HA GLU A 31 32.113 10.171 8.927 1.00 0.00 H new ATOM 0 HB2 GLU A 31 29.255 11.154 9.149 1.00 0.00 H new ATOM 0 HB3 GLU A 31 30.407 11.602 7.906 1.00 0.00 H new ATOM 0 HG2 GLU A 31 30.534 9.054 7.404 1.00 0.00 H new ATOM 0 HG3 GLU A 31 29.061 8.941 8.346 1.00 0.00 H new ATOM 505 N ARG A 32 30.773 11.968 11.349 1.00 0.00 N ATOM 506 CA ARG A 32 30.998 13.048 12.305 1.00 0.00 C ATOM 507 C ARG A 32 32.465 13.054 12.770 1.00 0.00 C ATOM 508 O ARG A 32 33.117 14.098 12.784 1.00 0.00 O ATOM 509 CB ARG A 32 30.069 12.881 13.508 1.00 0.00 C ATOM 510 CG ARG A 32 29.767 14.174 14.241 1.00 0.00 C ATOM 511 CD ARG A 32 28.878 15.081 13.404 1.00 0.00 C ATOM 512 NE ARG A 32 27.570 14.468 13.125 1.00 0.00 N ATOM 513 CZ ARG A 32 26.732 14.871 12.166 1.00 0.00 C ATOM 514 NH1 ARG A 32 27.077 15.856 11.345 1.00 0.00 N ATOM 515 NH2 ARG A 32 25.551 14.275 12.024 1.00 0.00 N ATOM 0 H ARG A 32 29.932 11.422 11.535 1.00 0.00 H new ATOM 0 HA ARG A 32 30.783 13.998 11.817 1.00 0.00 H new ATOM 0 HB2 ARG A 32 29.131 12.439 13.171 1.00 0.00 H new ATOM 0 HB3 ARG A 32 30.520 12.176 14.207 1.00 0.00 H new ATOM 0 HG2 ARG A 32 29.277 13.953 15.189 1.00 0.00 H new ATOM 0 HG3 ARG A 32 30.699 14.689 14.476 1.00 0.00 H new ATOM 0 HD2 ARG A 32 28.731 16.026 13.926 1.00 0.00 H new ATOM 0 HD3 ARG A 32 29.378 15.311 12.463 1.00 0.00 H new ATOM 0 HE ARG A 32 27.283 13.680 13.705 1.00 0.00 H new ATOM 0 HH11 ARG A 32 27.986 16.309 11.445 1.00 0.00 H new ATOM 0 HH12 ARG A 32 26.433 16.160 10.614 1.00 0.00 H new ATOM 0 HH21 ARG A 32 25.287 13.512 12.647 1.00 0.00 H new ATOM 0 HH22 ARG A 32 24.910 14.581 11.292 1.00 0.00 H new ATOM 529 N HIS A 33 32.973 11.877 13.130 1.00 0.00 N ATOM 530 CA HIS A 33 34.367 11.734 13.555 1.00 0.00 C ATOM 531 C HIS A 33 35.305 11.810 12.349 1.00 0.00 C ATOM 532 O HIS A 33 36.398 12.355 12.435 1.00 0.00 O ATOM 533 CB HIS A 33 34.573 10.402 14.291 1.00 0.00 C ATOM 534 CG HIS A 33 35.997 10.150 14.696 1.00 0.00 C ATOM 535 ND1 HIS A 33 36.832 9.287 14.019 1.00 0.00 N ATOM 536 CD2 HIS A 33 36.732 10.661 15.709 1.00 0.00 C ATOM 537 CE1 HIS A 33 38.014 9.275 14.592 1.00 0.00 C ATOM 538 NE2 HIS A 33 37.984 10.102 15.624 1.00 0.00 N ATOM 0 H HIS A 33 32.441 11.007 13.136 1.00 0.00 H new ATOM 0 HA HIS A 33 34.600 12.552 14.236 1.00 0.00 H new ATOM 0 HB2 HIS A 33 33.944 10.388 15.181 1.00 0.00 H new ATOM 0 HB3 HIS A 33 34.237 9.587 13.650 1.00 0.00 H new ATOM 0 HD2 HIS A 33 36.398 11.375 16.447 1.00 0.00 H new ATOM 0 HE1 HIS A 33 38.865 8.690 14.275 1.00 0.00 H new ATOM 0 HE2 HIS A 33 38.763 10.293 16.254 1.00 0.00 H new ATOM 546 N ASP A 34 34.856 11.252 11.244 1.00 0.00 N ATOM 547 CA ASP A 34 35.619 11.229 9.982 1.00 0.00 C ATOM 548 C ASP A 34 35.994 12.650 9.549 1.00 0.00 C ATOM 549 O ASP A 34 37.120 12.917 9.143 1.00 0.00 O ATOM 550 CB ASP A 34 34.784 10.535 8.883 1.00 0.00 C ATOM 551 CG ASP A 34 35.510 10.395 7.577 1.00 0.00 C ATOM 552 OD1 ASP A 34 36.156 9.357 7.369 1.00 0.00 O ATOM 553 OD2 ASP A 34 35.423 11.313 6.736 1.00 0.00 O ATOM 0 H ASP A 34 33.947 10.794 11.181 1.00 0.00 H new ATOM 0 HA ASP A 34 36.541 10.669 10.139 1.00 0.00 H new ATOM 0 HB2 ASP A 34 34.488 9.546 9.233 1.00 0.00 H new ATOM 0 HB3 ASP A 34 33.868 11.103 8.721 1.00 0.00 H new ATOM 558 N HIS A 35 35.033 13.549 9.643 1.00 0.00 N ATOM 559 CA HIS A 35 35.247 14.959 9.294 1.00 0.00 C ATOM 560 C HIS A 35 36.018 15.677 10.400 1.00 0.00 C ATOM 561 O HIS A 35 36.761 16.632 10.137 1.00 0.00 O ATOM 562 CB HIS A 35 33.890 15.654 9.026 1.00 0.00 C ATOM 563 CG HIS A 35 33.985 17.107 8.660 1.00 0.00 C ATOM 564 ND1 HIS A 35 33.830 18.124 9.575 1.00 0.00 N ATOM 565 CD2 HIS A 35 34.200 17.709 7.470 1.00 0.00 C ATOM 566 CE1 HIS A 35 33.944 19.286 8.963 1.00 0.00 C ATOM 567 NE2 HIS A 35 34.170 19.062 7.689 1.00 0.00 N ATOM 0 H HIS A 35 34.087 13.336 9.959 1.00 0.00 H new ATOM 0 HA HIS A 35 35.845 15.007 8.384 1.00 0.00 H new ATOM 0 HB2 HIS A 35 33.380 15.124 8.221 1.00 0.00 H new ATOM 0 HB3 HIS A 35 33.267 15.558 9.916 1.00 0.00 H new ATOM 0 HD2 HIS A 35 34.365 17.216 6.523 1.00 0.00 H new ATOM 0 HE1 HIS A 35 33.865 20.257 9.430 1.00 0.00 H new ATOM 0 HE2 HIS A 35 34.302 19.780 6.976 1.00 0.00 H new ATOM 575 N ASP A 36 35.856 15.209 11.624 1.00 0.00 N ATOM 576 CA ASP A 36 36.550 15.795 12.775 1.00 0.00 C ATOM 577 C ASP A 36 38.038 15.443 12.742 1.00 0.00 C ATOM 578 O ASP A 36 38.879 16.195 13.239 1.00 0.00 O ATOM 579 CB ASP A 36 35.916 15.320 14.098 1.00 0.00 C ATOM 580 CG ASP A 36 36.576 15.922 15.321 1.00 0.00 C ATOM 581 OD1 ASP A 36 36.342 17.116 15.607 1.00 0.00 O ATOM 582 OD2 ASP A 36 37.313 15.202 16.016 1.00 0.00 O ATOM 0 H ASP A 36 35.249 14.422 11.856 1.00 0.00 H new ATOM 0 HA ASP A 36 36.448 16.879 12.716 1.00 0.00 H new ATOM 0 HB2 ASP A 36 34.857 15.578 14.100 1.00 0.00 H new ATOM 0 HB3 ASP A 36 35.980 14.233 14.155 1.00 0.00 H new ATOM 587 N LYS A 37 38.352 14.314 12.127 1.00 0.00 N ATOM 588 CA LYS A 37 39.712 13.845 12.009 1.00 0.00 C ATOM 589 C LYS A 37 39.957 13.314 10.600 1.00 0.00 C ATOM 590 O LYS A 37 40.000 12.109 10.369 1.00 0.00 O ATOM 591 CB LYS A 37 40.015 12.757 13.057 1.00 0.00 C ATOM 592 CG LYS A 37 41.446 12.219 13.006 1.00 0.00 C ATOM 593 CD LYS A 37 41.636 11.025 13.935 1.00 0.00 C ATOM 594 CE LYS A 37 41.622 11.435 15.400 1.00 0.00 C ATOM 595 NZ LYS A 37 42.816 12.234 15.763 1.00 0.00 N ATOM 0 H LYS A 37 37.663 13.698 11.695 1.00 0.00 H new ATOM 0 HA LYS A 37 40.384 14.683 12.195 1.00 0.00 H new ATOM 0 HB2 LYS A 37 39.827 13.163 14.051 1.00 0.00 H new ATOM 0 HB3 LYS A 37 39.322 11.928 12.915 1.00 0.00 H new ATOM 0 HG2 LYS A 37 41.688 11.927 11.984 1.00 0.00 H new ATOM 0 HG3 LYS A 37 42.142 13.010 13.284 1.00 0.00 H new ATOM 0 HD2 LYS A 37 40.846 10.296 13.755 1.00 0.00 H new ATOM 0 HD3 LYS A 37 42.581 10.534 13.705 1.00 0.00 H new ATOM 0 HE2 LYS A 37 40.722 12.014 15.606 1.00 0.00 H new ATOM 0 HE3 LYS A 37 41.578 10.544 16.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 42.884 12.306 16.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 43.670 11.771 15.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 42.733 13.187 15.354 1.00 0.00 H new ATOM 609 N LYS A 38 40.058 14.233 9.653 1.00 0.00 N ATOM 610 CA LYS A 38 40.344 13.905 8.243 1.00 0.00 C ATOM 611 C LYS A 38 41.783 13.349 8.046 1.00 0.00 C ATOM 612 O LYS A 38 42.374 13.504 6.972 1.00 0.00 O ATOM 613 CB LYS A 38 40.178 15.157 7.378 1.00 0.00 C ATOM 614 CG LYS A 38 38.906 15.940 7.644 1.00 0.00 C ATOM 615 CD LYS A 38 38.867 17.210 6.811 1.00 0.00 C ATOM 616 CE LYS A 38 37.752 18.140 7.257 1.00 0.00 C ATOM 617 NZ LYS A 38 37.953 18.622 8.649 1.00 0.00 N ATOM 0 H LYS A 38 39.946 15.232 9.828 1.00 0.00 H new ATOM 0 HA LYS A 38 39.637 13.131 7.944 1.00 0.00 H new ATOM 0 HB2 LYS A 38 41.034 15.812 7.541 1.00 0.00 H new ATOM 0 HB3 LYS A 38 40.196 14.863 6.328 1.00 0.00 H new ATOM 0 HG2 LYS A 38 38.039 15.322 7.413 1.00 0.00 H new ATOM 0 HG3 LYS A 38 38.844 16.193 8.703 1.00 0.00 H new ATOM 0 HD2 LYS A 38 39.824 17.726 6.889 1.00 0.00 H new ATOM 0 HD3 LYS A 38 38.728 16.952 5.761 1.00 0.00 H new ATOM 0 HE2 LYS A 38 37.700 18.994 6.582 1.00 0.00 H new ATOM 0 HE3 LYS A 38 36.797 17.620 7.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 37.534 19.568 8.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 37.495 17.966 9.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 38.971 18.669 8.856 1.00 0.00 H new ATOM 631 N GLU A 39 42.319 12.693 9.055 1.00 0.00 N ATOM 632 CA GLU A 39 43.657 12.130 8.989 1.00 0.00 C ATOM 633 C GLU A 39 43.740 10.843 9.812 1.00 0.00 C ATOM 634 O GLU A 39 43.999 10.879 11.023 1.00 0.00 O ATOM 635 CB GLU A 39 44.708 13.152 9.452 1.00 0.00 C ATOM 636 CG GLU A 39 44.409 13.795 10.798 1.00 0.00 C ATOM 637 CD GLU A 39 45.560 14.624 11.307 1.00 0.00 C ATOM 638 OE1 GLU A 39 45.346 15.799 11.655 1.00 0.00 O ATOM 639 OE2 GLU A 39 46.691 14.099 11.360 1.00 0.00 O ATOM 0 H GLU A 39 41.843 12.534 9.943 1.00 0.00 H new ATOM 0 HA GLU A 39 43.872 11.882 7.950 1.00 0.00 H new ATOM 0 HB2 GLU A 39 45.678 12.658 9.507 1.00 0.00 H new ATOM 0 HB3 GLU A 39 44.791 13.936 8.699 1.00 0.00 H new ATOM 0 HG2 GLU A 39 43.523 14.424 10.708 1.00 0.00 H new ATOM 0 HG3 GLU A 39 44.175 13.017 11.525 1.00 0.00 H new ATOM 646 N ALA A 40 43.501 9.712 9.133 1.00 0.00 N ATOM 647 CA ALA A 40 43.462 8.379 9.752 1.00 0.00 C ATOM 648 C ALA A 40 42.197 8.234 10.631 1.00 0.00 C ATOM 649 O ALA A 40 41.603 9.242 11.006 1.00 0.00 O ATOM 650 CB ALA A 40 44.730 8.094 10.558 1.00 0.00 C ATOM 0 H ALA A 40 43.327 9.697 8.128 1.00 0.00 H new ATOM 0 HA ALA A 40 43.417 7.638 8.954 1.00 0.00 H new ATOM 0 HB1 ALA A 40 44.664 7.100 11.000 1.00 0.00 H new ATOM 0 HB2 ALA A 40 45.598 8.142 9.900 1.00 0.00 H new ATOM 0 HB3 ALA A 40 44.833 8.837 11.349 1.00 0.00 H new ATOM 656 N GLU A 41 41.785 6.980 10.960 1.00 0.00 N ATOM 657 CA GLU A 41 40.571 6.744 11.735 1.00 0.00 C ATOM 658 C GLU A 41 39.390 7.380 11.029 1.00 0.00 C ATOM 659 O GLU A 41 38.945 8.476 11.374 1.00 0.00 O ATOM 660 CB GLU A 41 40.695 7.265 13.173 1.00 0.00 C ATOM 661 CG GLU A 41 41.916 6.751 13.915 1.00 0.00 C ATOM 662 CD GLU A 41 42.063 5.246 13.833 1.00 0.00 C ATOM 663 OE1 GLU A 41 41.211 4.524 14.399 1.00 0.00 O ATOM 664 OE2 GLU A 41 43.041 4.778 13.208 1.00 0.00 O ATOM 0 H GLU A 41 42.284 6.131 10.694 1.00 0.00 H new ATOM 0 HA GLU A 41 40.415 5.667 11.805 1.00 0.00 H new ATOM 0 HB2 GLU A 41 40.728 8.354 13.152 1.00 0.00 H new ATOM 0 HB3 GLU A 41 39.800 6.984 13.728 1.00 0.00 H new ATOM 0 HG2 GLU A 41 42.809 7.221 13.505 1.00 0.00 H new ATOM 0 HG3 GLU A 41 41.851 7.049 14.962 1.00 0.00 H new ATOM 671 N ARG A 42 38.883 6.678 10.046 1.00 0.00 N ATOM 672 CA ARG A 42 37.885 7.167 9.214 1.00 0.00 C ATOM 673 C ARG A 42 36.709 6.231 9.285 1.00 0.00 C ATOM 674 O ARG A 42 36.820 5.094 9.750 1.00 0.00 O ATOM 675 CB ARG A 42 38.415 7.259 7.769 1.00 0.00 C ATOM 676 CG ARG A 42 39.758 7.978 7.629 1.00 0.00 C ATOM 677 CD ARG A 42 39.690 9.425 8.105 1.00 0.00 C ATOM 678 NE ARG A 42 38.677 10.197 7.386 1.00 0.00 N ATOM 679 CZ ARG A 42 38.939 11.145 6.489 1.00 0.00 C ATOM 680 NH1 ARG A 42 40.185 11.357 6.085 1.00 0.00 N ATOM 681 NH2 ARG A 42 37.947 11.856 5.972 1.00 0.00 N ATOM 0 H ARG A 42 39.181 5.729 9.821 1.00 0.00 H new ATOM 0 HA ARG A 42 37.579 8.164 9.531 1.00 0.00 H new ATOM 0 HB2 ARG A 42 38.514 6.251 7.367 1.00 0.00 H new ATOM 0 HB3 ARG A 42 37.676 7.775 7.157 1.00 0.00 H new ATOM 0 HG2 ARG A 42 40.515 7.444 8.203 1.00 0.00 H new ATOM 0 HG3 ARG A 42 40.073 7.955 6.586 1.00 0.00 H new ATOM 0 HD2 ARG A 42 39.469 9.444 9.172 1.00 0.00 H new ATOM 0 HD3 ARG A 42 40.664 9.895 7.972 1.00 0.00 H new ATOM 0 HE ARG A 42 37.698 9.994 7.587 1.00 0.00 H new ATOM 0 HH11 ARG A 42 40.946 10.793 6.462 1.00 0.00 H new ATOM 0 HH12 ARG A 42 40.381 12.084 5.397 1.00 0.00 H new ATOM 0 HH21 ARG A 42 36.986 11.676 6.262 1.00 0.00 H new ATOM 0 HH22 ARG A 42 38.145 12.583 5.285 1.00 0.00 H new ATOM 695 N LYS A 43 35.629 6.717 8.828 1.00 0.00 N ATOM 696 CA LYS A 43 34.334 6.031 8.872 1.00 0.00 C ATOM 697 C LYS A 43 34.367 4.624 8.268 1.00 0.00 C ATOM 698 O LYS A 43 33.913 3.665 8.905 1.00 0.00 O ATOM 699 CB LYS A 43 33.247 6.880 8.197 1.00 0.00 C ATOM 700 CG LYS A 43 33.511 7.194 6.733 1.00 0.00 C ATOM 701 CD LYS A 43 32.416 8.061 6.156 1.00 0.00 C ATOM 702 CE LYS A 43 32.651 8.366 4.689 1.00 0.00 C ATOM 703 NZ LYS A 43 31.657 9.335 4.167 1.00 0.00 N ATOM 0 H LYS A 43 35.582 7.636 8.389 1.00 0.00 H new ATOM 0 HA LYS A 43 34.093 5.906 9.928 1.00 0.00 H new ATOM 0 HB2 LYS A 43 32.294 6.358 8.277 1.00 0.00 H new ATOM 0 HB3 LYS A 43 33.144 7.817 8.744 1.00 0.00 H new ATOM 0 HG2 LYS A 43 34.471 7.701 6.634 1.00 0.00 H new ATOM 0 HG3 LYS A 43 33.581 6.266 6.166 1.00 0.00 H new ATOM 0 HD2 LYS A 43 31.456 7.559 6.273 1.00 0.00 H new ATOM 0 HD3 LYS A 43 32.358 8.994 6.716 1.00 0.00 H new ATOM 0 HE2 LYS A 43 33.656 8.768 4.557 1.00 0.00 H new ATOM 0 HE3 LYS A 43 32.598 7.443 4.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 31.570 9.222 3.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 30.734 9.160 4.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 31.969 10.303 4.384 1.00 0.00 H new ATOM 717 N ALA A 44 34.905 4.491 7.053 1.00 0.00 N ATOM 718 CA ALA A 44 34.949 3.185 6.385 1.00 0.00 C ATOM 719 C ALA A 44 35.699 2.170 7.225 1.00 0.00 C ATOM 720 O ALA A 44 35.258 1.043 7.381 1.00 0.00 O ATOM 721 CB ALA A 44 35.575 3.289 4.992 1.00 0.00 C ATOM 0 H ALA A 44 35.311 5.258 6.517 1.00 0.00 H new ATOM 0 HA ALA A 44 33.920 2.845 6.268 1.00 0.00 H new ATOM 0 HB1 ALA A 44 35.592 2.304 4.526 1.00 0.00 H new ATOM 0 HB2 ALA A 44 34.986 3.971 4.378 1.00 0.00 H new ATOM 0 HB3 ALA A 44 36.594 3.667 5.078 1.00 0.00 H new ATOM 727 N LEU A 45 36.826 2.584 7.770 1.00 0.00 N ATOM 728 CA LEU A 45 37.654 1.720 8.609 1.00 0.00 C ATOM 729 C LEU A 45 37.021 1.447 9.982 1.00 0.00 C ATOM 730 O LEU A 45 37.439 0.524 10.685 1.00 0.00 O ATOM 731 CB LEU A 45 39.071 2.308 8.794 1.00 0.00 C ATOM 732 CG LEU A 45 39.969 2.358 7.539 1.00 0.00 C ATOM 733 CD1 LEU A 45 39.496 3.417 6.551 1.00 0.00 C ATOM 734 CD2 LEU A 45 41.416 2.605 7.932 1.00 0.00 C ATOM 0 H LEU A 45 37.199 3.526 7.648 1.00 0.00 H new ATOM 0 HA LEU A 45 37.728 0.768 8.082 1.00 0.00 H new ATOM 0 HB2 LEU A 45 38.971 3.322 9.182 1.00 0.00 H new ATOM 0 HB3 LEU A 45 39.585 1.724 9.557 1.00 0.00 H new ATOM 0 HG LEU A 45 39.898 1.390 7.043 1.00 0.00 H new ATOM 0 HD11 LEU A 45 40.153 3.422 5.681 1.00 0.00 H new ATOM 0 HD12 LEU A 45 38.477 3.191 6.235 1.00 0.00 H new ATOM 0 HD13 LEU A 45 39.519 4.396 7.029 1.00 0.00 H new ATOM 0 HD21 LEU A 45 42.036 2.637 7.036 1.00 0.00 H new ATOM 0 HD22 LEU A 45 41.492 3.555 8.461 1.00 0.00 H new ATOM 0 HD23 LEU A 45 41.759 1.800 8.582 1.00 0.00 H new ATOM 746 N GLU A 46 36.029 2.240 10.366 1.00 0.00 N ATOM 747 CA GLU A 46 35.413 2.090 11.690 1.00 0.00 C ATOM 748 C GLU A 46 34.301 1.040 11.662 1.00 0.00 C ATOM 749 O GLU A 46 34.210 0.190 12.546 1.00 0.00 O ATOM 750 CB GLU A 46 34.878 3.434 12.212 1.00 0.00 C ATOM 751 CG GLU A 46 34.361 3.375 13.640 1.00 0.00 C ATOM 752 CD GLU A 46 34.052 4.743 14.201 1.00 0.00 C ATOM 753 OE1 GLU A 46 32.862 5.103 14.297 1.00 0.00 O ATOM 754 OE2 GLU A 46 35.008 5.472 14.542 1.00 0.00 O ATOM 0 H GLU A 46 35.634 2.986 9.793 1.00 0.00 H new ATOM 0 HA GLU A 46 36.187 1.748 12.376 1.00 0.00 H new ATOM 0 HB2 GLU A 46 35.672 4.178 12.153 1.00 0.00 H new ATOM 0 HB3 GLU A 46 34.075 3.773 11.558 1.00 0.00 H new ATOM 0 HG2 GLU A 46 33.461 2.761 13.672 1.00 0.00 H new ATOM 0 HG3 GLU A 46 35.103 2.886 14.272 1.00 0.00 H new ATOM 761 N ASP A 47 33.474 1.094 10.631 1.00 0.00 N ATOM 762 CA ASP A 47 32.367 0.132 10.478 1.00 0.00 C ATOM 763 C ASP A 47 32.867 -1.074 9.688 1.00 0.00 C ATOM 764 O ASP A 47 32.448 -2.216 9.904 1.00 0.00 O ATOM 765 CB ASP A 47 31.185 0.795 9.749 1.00 0.00 C ATOM 766 CG ASP A 47 29.956 -0.082 9.709 1.00 0.00 C ATOM 767 OD1 ASP A 47 29.712 -0.727 8.677 1.00 0.00 O ATOM 768 OD2 ASP A 47 29.223 -0.121 10.711 1.00 0.00 O ATOM 0 H ASP A 47 33.538 1.786 9.885 1.00 0.00 H new ATOM 0 HA ASP A 47 32.024 -0.192 11.460 1.00 0.00 H new ATOM 0 HB2 ASP A 47 30.939 1.734 10.244 1.00 0.00 H new ATOM 0 HB3 ASP A 47 31.484 1.040 8.730 1.00 0.00 H new ATOM 773 N LYS A 48 33.779 -0.769 8.787 1.00 0.00 N ATOM 774 CA LYS A 48 34.449 -1.748 7.938 1.00 0.00 C ATOM 775 C LYS A 48 33.450 -2.446 6.980 1.00 0.00 C ATOM 776 O LYS A 48 33.206 -3.651 7.091 1.00 0.00 O ATOM 777 CB LYS A 48 35.194 -2.788 8.808 1.00 0.00 C ATOM 778 CG LYS A 48 36.037 -3.783 8.019 1.00 0.00 C ATOM 779 CD LYS A 48 37.058 -3.075 7.147 1.00 0.00 C ATOM 780 CE LYS A 48 37.866 -4.064 6.336 1.00 0.00 C ATOM 781 NZ LYS A 48 38.800 -3.383 5.411 1.00 0.00 N ATOM 0 H LYS A 48 34.086 0.189 8.617 1.00 0.00 H new ATOM 0 HA LYS A 48 35.177 -1.220 7.322 1.00 0.00 H new ATOM 0 HB2 LYS A 48 35.840 -2.260 9.510 1.00 0.00 H new ATOM 0 HB3 LYS A 48 34.463 -3.339 9.400 1.00 0.00 H new ATOM 0 HG2 LYS A 48 36.548 -4.455 8.708 1.00 0.00 H new ATOM 0 HG3 LYS A 48 35.388 -4.398 7.396 1.00 0.00 H new ATOM 0 HD2 LYS A 48 36.549 -2.381 6.477 1.00 0.00 H new ATOM 0 HD3 LYS A 48 37.726 -2.482 7.773 1.00 0.00 H new ATOM 0 HE2 LYS A 48 38.428 -4.712 7.008 1.00 0.00 H new ATOM 0 HE3 LYS A 48 37.192 -4.704 5.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 39.311 -4.093 4.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 38.265 -2.758 4.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 39.481 -2.819 5.958 1.00 0.00 H new ATOM 795 N LEU A 49 32.841 -1.677 6.062 1.00 0.00 N ATOM 796 CA LEU A 49 31.929 -2.257 5.075 1.00 0.00 C ATOM 797 C LEU A 49 32.687 -3.148 4.103 1.00 0.00 C ATOM 798 O LEU A 49 32.277 -4.276 3.821 1.00 0.00 O ATOM 799 CB LEU A 49 31.190 -1.158 4.295 1.00 0.00 C ATOM 800 CG LEU A 49 30.193 -0.327 5.097 1.00 0.00 C ATOM 801 CD1 LEU A 49 29.650 0.814 4.252 1.00 0.00 C ATOM 802 CD2 LEU A 49 29.057 -1.204 5.591 1.00 0.00 C ATOM 0 H LEU A 49 32.964 -0.667 5.986 1.00 0.00 H new ATOM 0 HA LEU A 49 31.197 -2.858 5.615 1.00 0.00 H new ATOM 0 HB2 LEU A 49 31.931 -0.485 3.864 1.00 0.00 H new ATOM 0 HB3 LEU A 49 30.660 -1.623 3.464 1.00 0.00 H new ATOM 0 HG LEU A 49 30.708 0.097 5.959 1.00 0.00 H new ATOM 0 HD11 LEU A 49 28.940 1.396 4.840 1.00 0.00 H new ATOM 0 HD12 LEU A 49 30.472 1.456 3.936 1.00 0.00 H new ATOM 0 HD13 LEU A 49 29.147 0.409 3.374 1.00 0.00 H new ATOM 0 HD21 LEU A 49 28.352 -0.599 6.162 1.00 0.00 H new ATOM 0 HD22 LEU A 49 28.545 -1.650 4.739 1.00 0.00 H new ATOM 0 HD23 LEU A 49 29.457 -1.993 6.228 1.00 0.00 H new ATOM 814 N ALA A 50 33.800 -2.642 3.610 1.00 0.00 N ATOM 815 CA ALA A 50 34.612 -3.361 2.650 1.00 0.00 C ATOM 816 C ALA A 50 36.072 -2.944 2.782 1.00 0.00 C ATOM 817 O ALA A 50 36.476 -2.390 3.812 1.00 0.00 O ATOM 818 CB ALA A 50 34.100 -3.092 1.239 1.00 0.00 C ATOM 0 H ALA A 50 34.166 -1.724 3.863 1.00 0.00 H new ATOM 0 HA ALA A 50 34.542 -4.430 2.849 1.00 0.00 H new ATOM 0 HB1 ALA A 50 34.713 -3.635 0.520 1.00 0.00 H new ATOM 0 HB2 ALA A 50 33.065 -3.425 1.158 1.00 0.00 H new ATOM 0 HB3 ALA A 50 34.155 -2.024 1.030 1.00 0.00 H new ATOM 824 N ASP A 51 36.859 -3.213 1.755 1.00 0.00 N ATOM 825 CA ASP A 51 38.270 -2.847 1.761 1.00 0.00 C ATOM 826 C ASP A 51 38.424 -1.353 1.555 1.00 0.00 C ATOM 827 O ASP A 51 38.947 -0.655 2.420 1.00 0.00 O ATOM 828 CB ASP A 51 39.049 -3.607 0.679 1.00 0.00 C ATOM 829 CG ASP A 51 39.055 -5.102 0.905 1.00 0.00 C ATOM 830 OD1 ASP A 51 39.847 -5.580 1.744 1.00 0.00 O ATOM 831 OD2 ASP A 51 38.263 -5.810 0.250 1.00 0.00 O ATOM 0 H ASP A 51 36.548 -3.683 0.905 1.00 0.00 H new ATOM 0 HA ASP A 51 38.682 -3.122 2.732 1.00 0.00 H new ATOM 0 HB2 ASP A 51 38.611 -3.393 -0.296 1.00 0.00 H new ATOM 0 HB3 ASP A 51 40.076 -3.243 0.654 1.00 0.00 H new ATOM 836 N TYR A 52 37.947 -0.874 0.408 1.00 0.00 N ATOM 837 CA TYR A 52 38.017 0.539 0.042 1.00 0.00 C ATOM 838 C TYR A 52 39.471 0.973 -0.107 1.00 0.00 C ATOM 839 O TYR A 52 40.044 0.722 -1.183 1.00 0.00 O ATOM 840 CB TYR A 52 37.266 1.425 1.063 1.00 0.00 C ATOM 841 CG TYR A 52 37.246 2.904 0.708 1.00 0.00 C ATOM 842 CD1 TYR A 52 36.650 3.351 -0.465 1.00 0.00 C ATOM 843 CD2 TYR A 52 37.820 3.849 1.551 1.00 0.00 C ATOM 844 CE1 TYR A 52 36.627 4.695 -0.790 1.00 0.00 C ATOM 845 CE2 TYR A 52 37.801 5.194 1.235 1.00 0.00 C ATOM 846 CZ TYR A 52 37.205 5.612 0.064 1.00 0.00 C ATOM 847 OH TYR A 52 37.185 6.955 -0.256 1.00 0.00 O ATOM 848 OXT TYR A 52 40.040 1.536 0.847 1.00 0.00 O ATOM 0 H TYR A 52 37.499 -1.458 -0.297 1.00 0.00 H new ATOM 0 HA TYR A 52 37.520 0.668 -0.920 1.00 0.00 H new ATOM 0 HB2 TYR A 52 36.239 1.070 1.150 1.00 0.00 H new ATOM 0 HB3 TYR A 52 37.729 1.304 2.042 1.00 0.00 H new ATOM 0 HD1 TYR A 52 36.196 2.636 -1.135 1.00 0.00 H new ATOM 0 HD2 TYR A 52 38.289 3.526 2.469 1.00 0.00 H new ATOM 0 HE1 TYR A 52 36.160 5.025 -1.706 1.00 0.00 H new ATOM 0 HE2 TYR A 52 38.251 5.914 1.902 1.00 0.00 H new ATOM 0 HH TYR A 52 37.633 7.466 0.450 1.00 0.00 H new TER 858 TYR A 52