USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 489 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 1 ARG N :NH3+ -177:sc= -0.0842 (180deg=-0.0943) USER MOD Set 1.2: A 4 HIS : no HD1:sc= -0.448 K(o=-0.53,f=-1.3) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -2.84 X(o=-2.8,f=-3.3!) USER MOD Single : A 25 THR OG1 : rot -115:sc= 0.267 USER MOD Single : A 27 SER OG : rot 180:sc= -0.0188 USER MOD Single : A 32 ASN : amide:sc= -0.0415 X(o=-0.042,f=-0.063) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ -132:sc= -1.42 (180deg=-2.29!) USER MOD Single : A 42 THR OG1 : rot -6:sc= 0.333 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 161:sc= -0.0234 (180deg=-0.483) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -6.578 29.940 2.444 1.00 99.99 N ATOM 2 CA ARG A 1 -7.928 30.082 2.953 1.00 0.00 C ATOM 3 C ARG A 1 -8.493 28.715 3.326 1.00 0.00 C ATOM 4 O ARG A 1 -9.017 28.527 4.424 1.00 0.00 O ATOM 5 CB ARG A 1 -8.701 31.188 3.673 1.00 0.00 C ATOM 6 CG ARG A 1 -7.907 32.473 3.844 1.00 0.00 C ATOM 7 CD ARG A 1 -6.766 32.296 4.832 1.00 0.00 C ATOM 8 NE ARG A 1 -7.240 31.866 6.145 1.00 0.00 N ATOM 9 CZ ARG A 1 -6.461 31.308 7.069 1.00 0.00 C ATOM 10 NH1 ARG A 1 -5.171 31.111 6.827 1.00 0.00 N ATOM 11 NH2 ARG A 1 -6.972 30.947 8.238 1.00 0.00 N ATOM 0 H1 ARG A 1 -6.183 30.880 2.240 1.00 99.99 H new ATOM 0 H2 ARG A 1 -5.987 29.463 3.155 1.00 99.99 H new ATOM 0 H3 ARG A 1 -6.594 29.375 1.571 1.00 99.99 H new ATOM 0 HA ARG A 1 -8.060 30.728 2.085 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -9.612 31.405 3.115 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -9.007 30.826 4.655 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -7.509 32.787 2.879 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -8.569 33.267 4.189 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -6.060 31.562 4.443 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -6.224 33.237 4.932 1.00 0.00 H new ATOM 0 HE ARG A 1 -8.226 32.001 6.367 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -4.772 31.388 5.930 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -4.578 30.683 7.538 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -7.963 31.097 8.430 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -6.375 30.519 8.946 1.00 0.00 H new ATOM 27 N ARG A 2 -8.384 27.763 2.405 1.00 0.00 N ATOM 28 CA ARG A 2 -8.884 26.413 2.637 1.00 0.00 C ATOM 29 C ARG A 2 -8.120 25.398 1.794 1.00 0.00 C ATOM 30 O ARG A 2 -7.372 24.575 2.323 1.00 0.00 O ATOM 31 CB ARG A 2 -10.378 26.339 2.316 1.00 0.00 C ATOM 32 CG ARG A 2 -11.009 25.001 2.666 1.00 0.00 C ATOM 33 CD ARG A 2 -10.794 23.978 1.562 1.00 0.00 C ATOM 34 NE ARG A 2 -11.778 22.899 1.617 1.00 0.00 N ATOM 35 CZ ARG A 2 -13.023 23.009 1.161 1.00 0.00 C ATOM 36 NH1 ARG A 2 -13.440 24.144 0.615 1.00 0.00 N ATOM 37 NH2 ARG A 2 -13.855 21.980 1.253 1.00 0.00 N ATOM 0 H ARG A 2 -7.954 27.902 1.491 1.00 0.00 H new ATOM 0 HA ARG A 2 -8.733 26.171 3.689 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -10.897 27.129 2.858 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -10.523 26.533 1.253 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -10.582 24.628 3.597 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -12.077 25.135 2.837 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -10.852 24.473 0.593 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -9.791 23.559 1.646 1.00 0.00 H new ATOM 0 HE ARG A 2 -11.494 22.010 2.029 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -12.805 24.939 0.543 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -14.396 24.222 0.267 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -13.540 21.105 1.673 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -14.810 22.063 0.904 1.00 0.00 H new ATOM 51 N ARG A 3 -8.313 25.462 0.481 1.00 0.00 N ATOM 52 CA ARG A 3 -7.641 24.549 -0.437 1.00 0.00 C ATOM 53 C ARG A 3 -6.162 24.897 -0.572 1.00 0.00 C ATOM 54 O ARG A 3 -5.354 24.062 -0.977 1.00 0.00 O ATOM 55 CB ARG A 3 -8.313 24.587 -1.810 1.00 0.00 C ATOM 56 CG ARG A 3 -8.205 23.280 -2.580 1.00 0.00 C ATOM 57 CD ARG A 3 -6.837 23.123 -3.229 1.00 0.00 C ATOM 58 NE ARG A 3 -6.936 22.946 -4.676 1.00 0.00 N ATOM 59 CZ ARG A 3 -7.047 23.951 -5.544 1.00 0.00 C ATOM 60 NH1 ARG A 3 -7.067 25.208 -5.117 1.00 0.00 N ATOM 61 NH2 ARG A 3 -7.133 23.700 -6.843 1.00 0.00 N ATOM 0 H ARG A 3 -8.929 26.137 0.028 1.00 0.00 H new ATOM 0 HA ARG A 3 -7.721 23.542 -0.028 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -9.366 24.837 -1.682 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -7.865 25.385 -2.402 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -8.386 22.443 -1.905 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -8.979 23.244 -3.347 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -6.229 24.002 -3.012 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -6.325 22.265 -2.793 1.00 0.00 H new ATOM 0 HE ARG A 3 -6.919 21.995 -5.044 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -6.997 25.409 -4.119 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -7.152 25.973 -5.787 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -7.114 22.737 -7.179 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -7.218 24.470 -7.507 1.00 0.00 H new ATOM 75 N HIS A 4 -5.815 26.133 -0.231 1.00 0.00 N ATOM 76 CA HIS A 4 -4.435 26.590 -0.315 1.00 0.00 C ATOM 77 C HIS A 4 -3.935 26.563 -1.757 1.00 0.00 C ATOM 78 O HIS A 4 -3.138 25.704 -2.132 1.00 0.00 O ATOM 79 CB HIS A 4 -3.533 25.723 0.569 1.00 0.00 C ATOM 80 CG HIS A 4 -3.366 26.258 1.957 1.00 0.00 C ATOM 81 ND1 HIS A 4 -2.228 26.056 2.710 1.00 0.00 N ATOM 82 CD2 HIS A 4 -4.199 26.994 2.730 1.00 0.00 C ATOM 83 CE1 HIS A 4 -2.370 26.642 3.886 1.00 0.00 C ATOM 84 NE2 HIS A 4 -3.556 27.219 3.923 1.00 0.00 N ATOM 0 H HIS A 4 -6.472 26.836 0.106 1.00 0.00 H new ATOM 0 HA HIS A 4 -4.399 27.620 0.041 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -3.949 24.717 0.623 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -2.553 25.637 0.101 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -5.186 27.340 2.459 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -1.640 26.648 4.681 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -3.934 27.747 4.710 1.00 0.00 H new ATOM 93 N ILE A 5 -4.410 27.511 -2.559 1.00 0.00 N ATOM 94 CA ILE A 5 -4.010 27.596 -3.959 1.00 0.00 C ATOM 95 C ILE A 5 -2.499 27.774 -4.085 1.00 0.00 C ATOM 96 O ILE A 5 -1.859 27.153 -4.933 1.00 0.00 O ATOM 97 CB ILE A 5 -4.721 28.763 -4.677 1.00 0.00 C ATOM 98 CG1 ILE A 5 -4.379 28.762 -6.168 1.00 0.00 C ATOM 99 CG2 ILE A 5 -4.341 30.091 -4.039 1.00 0.00 C ATOM 100 CD1 ILE A 5 -5.105 27.692 -6.954 1.00 0.00 C ATOM 0 H ILE A 5 -5.071 28.230 -2.264 1.00 0.00 H new ATOM 0 HA ILE A 5 -4.303 26.659 -4.433 1.00 0.00 H new ATOM 0 HB ILE A 5 -5.798 28.629 -4.573 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -4.621 29.738 -6.589 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -3.304 28.622 -6.286 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -4.851 30.903 -4.557 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -4.636 30.088 -2.990 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -3.263 30.235 -4.112 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -4.814 27.751 -8.003 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -4.844 26.710 -6.559 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -6.181 27.843 -6.867 1.00 0.00 H new ATOM 112 N VAL A 6 -1.938 28.625 -3.232 1.00 0.00 N ATOM 113 CA VAL A 6 -0.505 28.885 -3.242 1.00 0.00 C ATOM 114 C VAL A 6 0.057 28.881 -1.822 1.00 0.00 C ATOM 115 O VAL A 6 0.133 29.921 -1.169 1.00 0.00 O ATOM 116 CB VAL A 6 -0.184 30.234 -3.917 1.00 0.00 C ATOM 117 CG1 VAL A 6 -0.894 31.375 -3.207 1.00 0.00 C ATOM 118 CG2 VAL A 6 1.319 30.473 -3.957 1.00 0.00 C ATOM 0 H VAL A 6 -2.456 29.146 -2.525 1.00 0.00 H new ATOM 0 HA VAL A 6 -0.036 28.086 -3.817 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.549 30.195 -4.944 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.653 32.317 -3.700 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -1.971 31.212 -3.243 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -0.568 31.416 -2.168 1.00 0.00 H new ATOM 0 HG21 VAL A 6 1.523 31.430 -4.437 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.713 30.486 -2.941 1.00 0.00 H new ATOM 0 HG23 VAL A 6 1.800 29.674 -4.522 1.00 0.00 H new ATOM 128 N ARG A 7 0.447 27.701 -1.352 1.00 0.00 N ATOM 129 CA ARG A 7 0.999 27.558 -0.010 1.00 0.00 C ATOM 130 C ARG A 7 1.550 26.152 0.202 1.00 0.00 C ATOM 131 O ARG A 7 2.636 25.978 0.754 1.00 0.00 O ATOM 132 CB ARG A 7 -0.071 27.869 1.039 1.00 0.00 C ATOM 133 CG ARG A 7 0.189 29.154 1.810 1.00 0.00 C ATOM 134 CD ARG A 7 1.254 28.961 2.878 1.00 0.00 C ATOM 135 NE ARG A 7 0.719 29.155 4.224 1.00 0.00 N ATOM 136 CZ ARG A 7 1.478 29.338 5.304 1.00 0.00 C ATOM 137 NH1 ARG A 7 2.800 29.353 5.199 1.00 0.00 N ATOM 138 NH2 ARG A 7 0.911 29.507 6.490 1.00 0.00 N ATOM 0 H ARG A 7 0.391 26.830 -1.880 1.00 0.00 H new ATOM 0 HA ARG A 7 1.819 28.268 0.100 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -1.041 27.940 0.547 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -0.131 27.039 1.742 1.00 0.00 H new ATOM 0 HG2 ARG A 7 0.504 29.936 1.119 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -0.736 29.493 2.275 1.00 0.00 H new ATOM 0 HD2 ARG A 7 1.673 27.958 2.795 1.00 0.00 H new ATOM 0 HD3 ARG A 7 2.070 29.663 2.707 1.00 0.00 H new ATOM 0 HE ARG A 7 -0.294 29.150 4.344 1.00 0.00 H new ATOM 0 HH11 ARG A 7 3.241 29.224 4.288 1.00 0.00 H new ATOM 0 HH12 ARG A 7 3.376 29.493 6.029 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -0.105 29.497 6.575 1.00 0.00 H new ATOM 0 HH22 ARG A 7 1.491 29.647 7.317 1.00 0.00 H new ATOM 152 N LYS A 8 0.794 25.149 -0.235 1.00 0.00 N ATOM 153 CA LYS A 8 1.220 23.757 -0.083 1.00 0.00 C ATOM 154 C LYS A 8 2.582 23.527 -0.737 1.00 0.00 C ATOM 155 O LYS A 8 3.524 23.087 -0.081 1.00 0.00 O ATOM 156 CB LYS A 8 0.184 22.773 -0.659 1.00 0.00 C ATOM 157 CG LYS A 8 -0.724 23.347 -1.741 1.00 0.00 C ATOM 158 CD LYS A 8 -1.207 22.261 -2.690 1.00 0.00 C ATOM 159 CE LYS A 8 -1.285 22.767 -4.121 1.00 0.00 C ATOM 160 NZ LYS A 8 -0.919 21.710 -5.104 1.00 0.00 N ATOM 0 H LYS A 8 -0.109 25.270 -0.694 1.00 0.00 H new ATOM 0 HA LYS A 8 1.305 23.566 0.987 1.00 0.00 H new ATOM 0 HB2 LYS A 8 0.713 21.913 -1.069 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -0.438 22.405 0.157 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.581 23.836 -1.278 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -0.186 24.111 -2.303 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.532 21.407 -2.641 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -2.189 21.910 -2.373 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -2.296 23.120 -4.327 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.618 23.621 -4.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -0.985 22.095 -6.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 0.054 21.391 -4.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -1.571 20.905 -5.007 1.00 0.00 H new ATOM 174 N ARG A 9 2.685 23.822 -2.030 1.00 0.00 N ATOM 175 CA ARG A 9 3.936 23.639 -2.756 1.00 0.00 C ATOM 176 C ARG A 9 5.053 24.485 -2.157 1.00 0.00 C ATOM 177 O ARG A 9 6.233 24.209 -2.369 1.00 0.00 O ATOM 178 CB ARG A 9 3.750 23.989 -4.233 1.00 0.00 C ATOM 179 CG ARG A 9 3.152 25.369 -4.461 1.00 0.00 C ATOM 180 CD ARG A 9 4.132 26.302 -5.158 1.00 0.00 C ATOM 181 NE ARG A 9 3.600 26.809 -6.421 1.00 0.00 N ATOM 182 CZ ARG A 9 4.351 27.338 -7.384 1.00 0.00 C ATOM 183 NH1 ARG A 9 5.666 27.432 -7.232 1.00 0.00 N ATOM 184 NH2 ARG A 9 3.786 27.774 -8.501 1.00 0.00 N ATOM 0 H ARG A 9 1.918 24.188 -2.595 1.00 0.00 H new ATOM 0 HA ARG A 9 4.220 22.590 -2.670 1.00 0.00 H new ATOM 0 HB2 ARG A 9 4.716 23.933 -4.735 1.00 0.00 H new ATOM 0 HB3 ARG A 9 3.106 23.242 -4.697 1.00 0.00 H new ATOM 0 HG2 ARG A 9 2.247 25.278 -5.062 1.00 0.00 H new ATOM 0 HG3 ARG A 9 2.858 25.800 -3.504 1.00 0.00 H new ATOM 0 HD2 ARG A 9 4.366 27.139 -4.501 1.00 0.00 H new ATOM 0 HD3 ARG A 9 5.067 25.773 -5.344 1.00 0.00 H new ATOM 0 HE ARG A 9 2.593 26.754 -6.574 1.00 0.00 H new ATOM 0 HH11 ARG A 9 6.105 27.098 -6.374 1.00 0.00 H new ATOM 0 HH12 ARG A 9 6.237 27.838 -7.973 1.00 0.00 H new ATOM 0 HH21 ARG A 9 2.776 27.704 -8.622 1.00 0.00 H new ATOM 0 HH22 ARG A 9 4.362 28.179 -9.239 1.00 0.00 H new ATOM 198 N THR A 10 4.678 25.511 -1.404 1.00 0.00 N ATOM 199 CA THR A 10 5.655 26.384 -0.778 1.00 0.00 C ATOM 200 C THR A 10 6.286 25.708 0.434 1.00 0.00 C ATOM 201 O THR A 10 7.387 26.067 0.848 1.00 0.00 O ATOM 202 CB THR A 10 5.010 27.701 -0.363 1.00 0.00 C ATOM 203 OG1 THR A 10 4.593 28.437 -1.500 1.00 0.00 O ATOM 204 CG2 THR A 10 5.938 28.580 0.440 1.00 0.00 C ATOM 0 H THR A 10 3.706 25.756 -1.214 1.00 0.00 H new ATOM 0 HA THR A 10 6.438 26.591 -1.508 1.00 0.00 H new ATOM 0 HB THR A 10 4.157 27.429 0.259 1.00 0.00 H new ATOM 0 HG1 THR A 10 4.180 29.278 -1.212 1.00 0.00 H new ATOM 0 HG21 THR A 10 5.424 29.503 0.707 1.00 0.00 H new ATOM 0 HG22 THR A 10 6.240 28.057 1.348 1.00 0.00 H new ATOM 0 HG23 THR A 10 6.821 28.815 -0.154 1.00 0.00 H new ATOM 212 N LEU A 11 5.595 24.718 0.997 1.00 0.00 N ATOM 213 CA LEU A 11 6.116 23.995 2.153 1.00 0.00 C ATOM 214 C LEU A 11 7.540 23.516 1.884 1.00 0.00 C ATOM 215 O LEU A 11 8.307 23.257 2.813 1.00 0.00 O ATOM 216 CB LEU A 11 5.219 22.802 2.492 1.00 0.00 C ATOM 217 CG LEU A 11 4.072 23.108 3.456 1.00 0.00 C ATOM 218 CD1 LEU A 11 3.211 24.239 2.917 1.00 0.00 C ATOM 219 CD2 LEU A 11 3.232 21.863 3.696 1.00 0.00 C ATOM 0 H LEU A 11 4.681 24.401 0.674 1.00 0.00 H new ATOM 0 HA LEU A 11 6.127 24.676 3.004 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.800 22.407 1.566 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.836 22.014 2.924 1.00 0.00 H new ATOM 0 HG LEU A 11 4.497 23.424 4.409 1.00 0.00 H new ATOM 0 HD11 LEU A 11 2.400 24.443 3.616 1.00 0.00 H new ATOM 0 HD12 LEU A 11 3.820 25.135 2.797 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.795 23.951 1.952 1.00 0.00 H new ATOM 0 HD21 LEU A 11 2.420 22.099 4.384 1.00 0.00 H new ATOM 0 HD22 LEU A 11 2.816 21.517 2.750 1.00 0.00 H new ATOM 0 HD23 LEU A 11 3.857 21.080 4.126 1.00 0.00 H new ATOM 231 N ARG A 12 7.889 23.414 0.604 1.00 0.00 N ATOM 232 CA ARG A 12 9.216 22.984 0.202 1.00 0.00 C ATOM 233 C ARG A 12 10.268 24.018 0.596 1.00 0.00 C ATOM 234 O ARG A 12 11.460 23.719 0.627 1.00 0.00 O ATOM 235 CB ARG A 12 9.249 22.750 -1.309 1.00 0.00 C ATOM 236 CG ARG A 12 9.305 21.282 -1.697 1.00 0.00 C ATOM 237 CD ARG A 12 9.707 21.105 -3.153 1.00 0.00 C ATOM 238 NE ARG A 12 8.556 20.821 -4.008 1.00 0.00 N ATOM 239 CZ ARG A 12 8.557 20.981 -5.329 1.00 0.00 C ATOM 240 NH1 ARG A 12 9.644 21.420 -5.952 1.00 0.00 N ATOM 241 NH2 ARG A 12 7.467 20.700 -6.032 1.00 0.00 N ATOM 0 H ARG A 12 7.263 23.626 -0.173 1.00 0.00 H new ATOM 0 HA ARG A 12 9.447 22.052 0.717 1.00 0.00 H new ATOM 0 HB2 ARG A 12 8.364 23.202 -1.757 1.00 0.00 H new ATOM 0 HB3 ARG A 12 10.116 23.261 -1.728 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.017 20.762 -1.056 1.00 0.00 H new ATOM 0 HG3 ARG A 12 8.331 20.823 -1.529 1.00 0.00 H new ATOM 0 HD2 ARG A 12 10.205 22.009 -3.504 1.00 0.00 H new ATOM 0 HD3 ARG A 12 10.428 20.292 -3.234 1.00 0.00 H new ATOM 0 HE ARG A 12 7.702 20.480 -3.566 1.00 0.00 H new ATOM 0 HH11 ARG A 12 10.485 21.637 -5.418 1.00 0.00 H new ATOM 0 HH12 ARG A 12 9.638 21.540 -6.965 1.00 0.00 H new ATOM 0 HH21 ARG A 12 6.629 20.361 -5.560 1.00 0.00 H new ATOM 0 HH22 ARG A 12 7.468 20.823 -7.045 1.00 0.00 H new ATOM 255 N ARG A 13 9.821 25.235 0.896 1.00 0.00 N ATOM 256 CA ARG A 13 10.728 26.306 1.287 1.00 0.00 C ATOM 257 C ARG A 13 11.431 25.978 2.601 1.00 0.00 C ATOM 258 O ARG A 13 12.649 26.119 2.716 1.00 0.00 O ATOM 259 CB ARG A 13 9.963 27.625 1.416 1.00 0.00 C ATOM 260 CG ARG A 13 9.961 28.454 0.141 1.00 0.00 C ATOM 261 CD ARG A 13 11.247 29.251 -0.008 1.00 0.00 C ATOM 262 NE ARG A 13 11.066 30.655 0.352 1.00 0.00 N ATOM 263 CZ ARG A 13 11.995 31.592 0.175 1.00 0.00 C ATOM 264 NH1 ARG A 13 13.170 31.279 -0.357 1.00 0.00 N ATOM 265 NH2 ARG A 13 11.748 32.845 0.530 1.00 0.00 N ATOM 0 H ARG A 13 8.837 25.502 0.875 1.00 0.00 H new ATOM 0 HA ARG A 13 11.487 26.407 0.511 1.00 0.00 H new ATOM 0 HB2 ARG A 13 8.933 27.412 1.703 1.00 0.00 H new ATOM 0 HB3 ARG A 13 10.403 28.213 2.221 1.00 0.00 H new ATOM 0 HG2 ARG A 13 9.837 27.798 -0.720 1.00 0.00 H new ATOM 0 HG3 ARG A 13 9.109 29.134 0.149 1.00 0.00 H new ATOM 0 HD2 ARG A 13 12.020 28.812 0.622 1.00 0.00 H new ATOM 0 HD3 ARG A 13 11.598 29.183 -1.038 1.00 0.00 H new ATOM 0 HE ARG A 13 10.175 30.934 0.763 1.00 0.00 H new ATOM 0 HH11 ARG A 13 13.365 30.316 -0.633 1.00 0.00 H new ATOM 0 HH12 ARG A 13 13.878 32.001 -0.490 1.00 0.00 H new ATOM 0 HH21 ARG A 13 10.846 33.091 0.939 1.00 0.00 H new ATOM 0 HH22 ARG A 13 12.460 33.563 0.395 1.00 0.00 H new ATOM 279 N LEU A 14 10.659 25.540 3.590 1.00 0.00 N ATOM 280 CA LEU A 14 11.212 25.194 4.894 1.00 0.00 C ATOM 281 C LEU A 14 12.151 23.995 4.795 1.00 0.00 C ATOM 282 O LEU A 14 13.231 23.990 5.388 1.00 0.00 O ATOM 283 CB LEU A 14 10.086 24.893 5.886 1.00 0.00 C ATOM 284 CG LEU A 14 9.515 26.114 6.608 1.00 0.00 C ATOM 285 CD1 LEU A 14 8.489 26.818 5.735 1.00 0.00 C ATOM 286 CD2 LEU A 14 8.897 25.705 7.936 1.00 0.00 C ATOM 0 H LEU A 14 9.649 25.416 3.513 1.00 0.00 H new ATOM 0 HA LEU A 14 11.786 26.049 5.251 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.277 24.394 5.353 1.00 0.00 H new ATOM 0 HB3 LEU A 14 10.458 24.190 6.632 1.00 0.00 H new ATOM 0 HG LEU A 14 10.330 26.810 6.807 1.00 0.00 H new ATOM 0 HD11 LEU A 14 8.093 27.684 6.265 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.962 27.144 4.809 1.00 0.00 H new ATOM 0 HD13 LEU A 14 7.675 26.131 5.504 1.00 0.00 H new ATOM 0 HD21 LEU A 14 8.495 26.586 8.437 1.00 0.00 H new ATOM 0 HD22 LEU A 14 8.093 24.990 7.759 1.00 0.00 H new ATOM 0 HD23 LEU A 14 9.659 25.245 8.566 1.00 0.00 H new ATOM 298 N LEU A 15 11.733 22.979 4.048 1.00 0.00 N ATOM 299 CA LEU A 15 12.536 21.773 3.878 1.00 0.00 C ATOM 300 C LEU A 15 13.767 22.045 3.019 1.00 0.00 C ATOM 301 O LEU A 15 14.899 21.908 3.482 1.00 0.00 O ATOM 302 CB LEU A 15 11.695 20.664 3.244 1.00 0.00 C ATOM 303 CG LEU A 15 10.318 20.454 3.876 1.00 0.00 C ATOM 304 CD1 LEU A 15 9.313 19.999 2.829 1.00 0.00 C ATOM 305 CD2 LEU A 15 10.401 19.447 5.013 1.00 0.00 C ATOM 0 H LEU A 15 10.843 22.966 3.550 1.00 0.00 H new ATOM 0 HA LEU A 15 12.872 21.452 4.864 1.00 0.00 H new ATOM 0 HB2 LEU A 15 11.562 20.890 2.186 1.00 0.00 H new ATOM 0 HB3 LEU A 15 12.251 19.728 3.303 1.00 0.00 H new ATOM 0 HG LEU A 15 9.978 21.406 4.285 1.00 0.00 H new ATOM 0 HD11 LEU A 15 8.339 19.855 3.298 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.232 20.756 2.049 1.00 0.00 H new ATOM 0 HD13 LEU A 15 9.646 19.059 2.389 1.00 0.00 H new ATOM 0 HD21 LEU A 15 9.412 19.310 5.451 1.00 0.00 H new ATOM 0 HD22 LEU A 15 10.763 18.493 4.629 1.00 0.00 H new ATOM 0 HD23 LEU A 15 11.088 19.815 5.775 1.00 0.00 H new ATOM 317 N GLN A 16 13.538 22.420 1.762 1.00 0.00 N ATOM 318 CA GLN A 16 14.626 22.704 0.824 1.00 0.00 C ATOM 319 C GLN A 16 15.740 23.520 1.475 1.00 0.00 C ATOM 320 O GLN A 16 16.920 23.288 1.216 1.00 0.00 O ATOM 321 CB GLN A 16 14.092 23.452 -0.396 1.00 0.00 C ATOM 322 CG GLN A 16 13.264 22.586 -1.333 1.00 0.00 C ATOM 323 CD GLN A 16 13.724 22.679 -2.775 1.00 0.00 C ATOM 324 OE1 GLN A 16 14.402 23.631 -3.160 1.00 0.00 O ATOM 325 NE2 GLN A 16 13.356 21.690 -3.580 1.00 0.00 N ATOM 0 H GLN A 16 12.605 22.535 1.367 1.00 0.00 H new ATOM 0 HA GLN A 16 15.045 21.746 0.515 1.00 0.00 H new ATOM 0 HB2 GLN A 16 13.483 24.291 -0.059 1.00 0.00 H new ATOM 0 HB3 GLN A 16 14.932 23.871 -0.950 1.00 0.00 H new ATOM 0 HG2 GLN A 16 13.318 21.548 -1.005 1.00 0.00 H new ATOM 0 HG3 GLN A 16 12.218 22.886 -1.269 1.00 0.00 H new ATOM 0 HE21 GLN A 16 12.794 20.920 -3.218 1.00 0.00 H new ATOM 0 HE22 GLN A 16 13.636 21.700 -4.561 1.00 0.00 H new ATOM 334 N GLU A 17 15.361 24.477 2.318 1.00 0.00 N ATOM 335 CA GLU A 17 16.336 25.326 2.998 1.00 0.00 C ATOM 336 C GLU A 17 17.438 24.485 3.637 1.00 0.00 C ATOM 337 O GLU A 17 18.615 24.842 3.585 1.00 0.00 O ATOM 338 CB GLU A 17 15.646 26.183 4.063 1.00 0.00 C ATOM 339 CG GLU A 17 15.254 27.567 3.570 1.00 0.00 C ATOM 340 CD GLU A 17 16.217 28.643 4.030 1.00 0.00 C ATOM 341 OE1 GLU A 17 17.393 28.607 3.612 1.00 0.00 O ATOM 342 OE2 GLU A 17 15.795 29.524 4.809 1.00 0.00 O ATOM 0 H GLU A 17 14.389 24.684 2.546 1.00 0.00 H new ATOM 0 HA GLU A 17 16.790 25.982 2.255 1.00 0.00 H new ATOM 0 HB2 GLU A 17 14.753 25.664 4.412 1.00 0.00 H new ATOM 0 HB3 GLU A 17 16.311 26.287 4.921 1.00 0.00 H new ATOM 0 HG2 GLU A 17 15.213 27.563 2.481 1.00 0.00 H new ATOM 0 HG3 GLU A 17 14.252 27.805 3.926 1.00 0.00 H new ATOM 349 N ARG A 18 17.045 23.368 4.240 1.00 0.00 N ATOM 350 CA ARG A 18 17.993 22.472 4.891 1.00 0.00 C ATOM 351 C ARG A 18 19.046 21.980 3.901 1.00 0.00 C ATOM 352 O ARG A 18 20.220 21.844 4.244 1.00 0.00 O ATOM 353 CB ARG A 18 17.246 21.289 5.519 1.00 0.00 C ATOM 354 CG ARG A 18 17.058 20.099 4.587 1.00 0.00 C ATOM 355 CD ARG A 18 16.231 19.002 5.238 1.00 0.00 C ATOM 356 NE ARG A 18 16.927 17.716 5.237 1.00 0.00 N ATOM 357 CZ ARG A 18 17.867 17.381 6.118 1.00 0.00 C ATOM 358 NH1 ARG A 18 18.226 18.229 7.073 1.00 0.00 N ATOM 359 NH2 ARG A 18 18.450 16.192 6.045 1.00 0.00 N ATOM 0 H ARG A 18 16.074 23.061 4.291 1.00 0.00 H new ATOM 0 HA ARG A 18 18.507 23.022 5.679 1.00 0.00 H new ATOM 0 HB2 ARG A 18 17.790 20.960 6.404 1.00 0.00 H new ATOM 0 HB3 ARG A 18 16.267 21.630 5.855 1.00 0.00 H new ATOM 0 HG2 ARG A 18 16.569 20.428 3.670 1.00 0.00 H new ATOM 0 HG3 ARG A 18 18.032 19.701 4.303 1.00 0.00 H new ATOM 0 HD2 ARG A 18 15.996 19.286 6.264 1.00 0.00 H new ATOM 0 HD3 ARG A 18 15.283 18.901 4.710 1.00 0.00 H new ATOM 0 HE ARG A 18 16.678 17.036 4.519 1.00 0.00 H new ATOM 0 HH11 ARG A 18 17.781 19.145 7.136 1.00 0.00 H new ATOM 0 HH12 ARG A 18 18.947 17.965 7.745 1.00 0.00 H new ATOM 0 HH21 ARG A 18 18.178 15.535 5.314 1.00 0.00 H new ATOM 0 HH22 ARG A 18 19.170 15.935 6.720 1.00 0.00 H new ATOM 373 N GLU A 19 18.614 21.712 2.673 1.00 0.00 N ATOM 374 CA GLU A 19 19.514 21.233 1.633 1.00 0.00 C ATOM 375 C GLU A 19 18.922 21.478 0.250 1.00 0.00 C ATOM 376 O GLU A 19 19.436 22.287 -0.522 1.00 0.00 O ATOM 377 CB GLU A 19 19.801 19.742 1.826 1.00 0.00 C ATOM 378 CG GLU A 19 21.252 19.446 2.162 1.00 0.00 C ATOM 379 CD GLU A 19 21.473 18.002 2.570 1.00 0.00 C ATOM 380 OE1 GLU A 19 20.536 17.392 3.125 1.00 0.00 O ATOM 381 OE2 GLU A 19 22.584 17.482 2.333 1.00 0.00 O ATOM 0 H GLU A 19 17.645 21.819 2.375 1.00 0.00 H new ATOM 0 HA GLU A 19 20.450 21.787 1.710 1.00 0.00 H new ATOM 0 HB2 GLU A 19 19.165 19.357 2.624 1.00 0.00 H new ATOM 0 HB3 GLU A 19 19.530 19.207 0.916 1.00 0.00 H new ATOM 0 HG2 GLU A 19 21.875 19.675 1.298 1.00 0.00 H new ATOM 0 HG3 GLU A 19 21.575 20.102 2.971 1.00 0.00 H new ATOM 388 N LEU A 20 17.840 20.772 -0.055 1.00 0.00 N ATOM 389 CA LEU A 20 17.176 20.907 -1.346 1.00 0.00 C ATOM 390 C LEU A 20 15.967 19.983 -1.433 1.00 0.00 C ATOM 391 O LEU A 20 14.945 20.337 -2.019 1.00 0.00 O ATOM 392 CB LEU A 20 18.155 20.595 -2.481 1.00 0.00 C ATOM 393 CG LEU A 20 18.801 21.819 -3.136 1.00 0.00 C ATOM 394 CD1 LEU A 20 20.315 21.674 -3.172 1.00 0.00 C ATOM 395 CD2 LEU A 20 18.252 22.026 -4.540 1.00 0.00 C ATOM 0 H LEU A 20 17.403 20.099 0.575 1.00 0.00 H new ATOM 0 HA LEU A 20 16.832 21.937 -1.445 1.00 0.00 H new ATOM 0 HB2 LEU A 20 18.944 19.951 -2.093 1.00 0.00 H new ATOM 0 HB3 LEU A 20 17.629 20.027 -3.248 1.00 0.00 H new ATOM 0 HG LEU A 20 18.555 22.696 -2.537 1.00 0.00 H new ATOM 0 HD11 LEU A 20 20.754 22.554 -3.641 1.00 0.00 H new ATOM 0 HD12 LEU A 20 20.696 21.577 -2.155 1.00 0.00 H new ATOM 0 HD13 LEU A 20 20.582 20.786 -3.745 1.00 0.00 H new ATOM 0 HD21 LEU A 20 18.723 22.900 -4.990 1.00 0.00 H new ATOM 0 HD22 LEU A 20 18.465 21.146 -5.147 1.00 0.00 H new ATOM 0 HD23 LEU A 20 17.174 22.180 -4.490 1.00 0.00 H new ATOM 407 N VAL A 21 16.096 18.794 -0.848 1.00 0.00 N ATOM 408 CA VAL A 21 15.022 17.804 -0.857 1.00 0.00 C ATOM 409 C VAL A 21 14.957 17.069 -2.197 1.00 0.00 C ATOM 410 O VAL A 21 14.060 16.257 -2.426 1.00 0.00 O ATOM 411 CB VAL A 21 13.647 18.448 -0.526 1.00 0.00 C ATOM 412 CG1 VAL A 21 12.794 18.649 -1.776 1.00 0.00 C ATOM 413 CG2 VAL A 21 12.902 17.608 0.499 1.00 0.00 C ATOM 0 H VAL A 21 16.939 18.492 -0.359 1.00 0.00 H new ATOM 0 HA VAL A 21 15.250 17.078 -0.077 1.00 0.00 H new ATOM 0 HB VAL A 21 13.841 19.434 -0.104 1.00 0.00 H new ATOM 0 HG11 VAL A 21 11.842 19.101 -1.498 1.00 0.00 H new ATOM 0 HG12 VAL A 21 13.318 19.304 -2.472 1.00 0.00 H new ATOM 0 HG13 VAL A 21 12.612 17.685 -2.251 1.00 0.00 H new ATOM 0 HG21 VAL A 21 11.941 18.072 0.720 1.00 0.00 H new ATOM 0 HG22 VAL A 21 12.738 16.607 0.099 1.00 0.00 H new ATOM 0 HG23 VAL A 21 13.492 17.542 1.413 1.00 0.00 H new ATOM 423 N GLU A 22 15.910 17.359 -3.081 1.00 0.00 N ATOM 424 CA GLU A 22 15.954 16.726 -4.392 1.00 0.00 C ATOM 425 C GLU A 22 16.981 15.593 -4.423 1.00 0.00 C ATOM 426 O GLU A 22 16.658 14.472 -4.815 1.00 0.00 O ATOM 427 CB GLU A 22 16.276 17.762 -5.473 1.00 0.00 C ATOM 428 CG GLU A 22 15.079 18.136 -6.331 1.00 0.00 C ATOM 429 CD GLU A 22 15.483 18.732 -7.665 1.00 0.00 C ATOM 430 OE1 GLU A 22 15.695 17.956 -8.622 1.00 0.00 O ATOM 431 OE2 GLU A 22 15.587 19.973 -7.754 1.00 0.00 O ATOM 0 H GLU A 22 16.661 18.028 -2.911 1.00 0.00 H new ATOM 0 HA GLU A 22 14.972 16.299 -4.593 1.00 0.00 H new ATOM 0 HB2 GLU A 22 16.667 18.661 -4.998 1.00 0.00 H new ATOM 0 HB3 GLU A 22 17.065 17.372 -6.115 1.00 0.00 H new ATOM 0 HG2 GLU A 22 14.468 17.250 -6.503 1.00 0.00 H new ATOM 0 HG3 GLU A 22 14.458 18.851 -5.791 1.00 0.00 H new ATOM 438 N PRO A 23 18.238 15.865 -4.018 1.00 0.00 N ATOM 439 CA PRO A 23 19.302 14.854 -4.013 1.00 0.00 C ATOM 440 C PRO A 23 19.067 13.764 -2.968 1.00 0.00 C ATOM 441 O PRO A 23 19.883 13.572 -2.065 1.00 0.00 O ATOM 442 CB PRO A 23 20.573 15.653 -3.679 1.00 0.00 C ATOM 443 CG PRO A 23 20.197 17.089 -3.841 1.00 0.00 C ATOM 444 CD PRO A 23 18.729 17.167 -3.542 1.00 0.00 C ATOM 0 HA PRO A 23 19.358 14.328 -4.966 1.00 0.00 H new ATOM 0 HB2 PRO A 23 20.909 15.448 -2.663 1.00 0.00 H new ATOM 0 HB3 PRO A 23 21.392 15.384 -4.346 1.00 0.00 H new ATOM 0 HG2 PRO A 23 20.768 17.721 -3.161 1.00 0.00 H new ATOM 0 HG3 PRO A 23 20.408 17.436 -4.852 1.00 0.00 H new ATOM 0 HD2 PRO A 23 18.538 17.308 -2.478 1.00 0.00 H new ATOM 0 HD3 PRO A 23 18.252 17.996 -4.064 1.00 0.00 H new ATOM 452 N LEU A 24 17.952 13.051 -3.099 1.00 0.00 N ATOM 453 CA LEU A 24 17.610 11.977 -2.169 1.00 0.00 C ATOM 454 C LEU A 24 16.241 11.392 -2.502 1.00 0.00 C ATOM 455 O LEU A 24 16.025 10.185 -2.387 1.00 0.00 O ATOM 456 CB LEU A 24 17.614 12.493 -0.726 1.00 0.00 C ATOM 457 CG LEU A 24 17.127 11.490 0.325 1.00 0.00 C ATOM 458 CD1 LEU A 24 18.258 11.107 1.268 1.00 0.00 C ATOM 459 CD2 LEU A 24 15.951 12.060 1.104 1.00 0.00 C ATOM 0 H LEU A 24 17.268 13.197 -3.841 1.00 0.00 H new ATOM 0 HA LEU A 24 18.362 11.194 -2.268 1.00 0.00 H new ATOM 0 HB2 LEU A 24 18.628 12.801 -0.470 1.00 0.00 H new ATOM 0 HB3 LEU A 24 16.988 13.384 -0.673 1.00 0.00 H new ATOM 0 HG LEU A 24 16.793 10.590 -0.191 1.00 0.00 H new ATOM 0 HD11 LEU A 24 17.891 10.394 2.006 1.00 0.00 H new ATOM 0 HD12 LEU A 24 19.069 10.654 0.698 1.00 0.00 H new ATOM 0 HD13 LEU A 24 18.626 11.998 1.776 1.00 0.00 H new ATOM 0 HD21 LEU A 24 15.619 11.333 1.846 1.00 0.00 H new ATOM 0 HD22 LEU A 24 16.258 12.977 1.607 1.00 0.00 H new ATOM 0 HD23 LEU A 24 15.132 12.279 0.419 1.00 0.00 H new ATOM 471 N THR A 25 15.319 12.257 -2.911 1.00 0.00 N ATOM 472 CA THR A 25 13.967 11.830 -3.257 1.00 0.00 C ATOM 473 C THR A 25 13.898 11.339 -4.700 1.00 0.00 C ATOM 474 O THR A 25 14.711 11.730 -5.538 1.00 0.00 O ATOM 475 CB THR A 25 12.982 12.982 -3.050 1.00 0.00 C ATOM 476 OG1 THR A 25 13.065 13.910 -4.117 1.00 0.00 O ATOM 477 CG2 THR A 25 13.210 13.742 -1.762 1.00 0.00 C ATOM 0 H THR A 25 15.483 13.259 -3.011 1.00 0.00 H new ATOM 0 HA THR A 25 13.696 11.002 -2.602 1.00 0.00 H new ATOM 0 HB THR A 25 11.998 12.515 -3.007 1.00 0.00 H new ATOM 0 HG1 THR A 25 13.394 14.769 -3.779 1.00 0.00 H new ATOM 0 HG21 THR A 25 12.477 14.545 -1.679 1.00 0.00 H new ATOM 0 HG22 THR A 25 13.103 13.064 -0.915 1.00 0.00 H new ATOM 0 HG23 THR A 25 14.214 14.166 -1.763 1.00 0.00 H new ATOM 485 N PRO A 26 12.922 10.467 -5.010 1.00 0.00 N ATOM 486 CA PRO A 26 12.751 9.921 -6.359 1.00 0.00 C ATOM 487 C PRO A 26 12.213 10.954 -7.344 1.00 0.00 C ATOM 488 O PRO A 26 12.423 10.842 -8.551 1.00 0.00 O ATOM 489 CB PRO A 26 11.736 8.794 -6.159 1.00 0.00 C ATOM 490 CG PRO A 26 10.955 9.199 -4.957 1.00 0.00 C ATOM 491 CD PRO A 26 11.911 9.948 -4.070 1.00 0.00 C ATOM 0 HA PRO A 26 13.698 9.591 -6.786 1.00 0.00 H new ATOM 0 HB2 PRO A 26 11.092 8.682 -7.031 1.00 0.00 H new ATOM 0 HB3 PRO A 26 12.233 7.836 -6.004 1.00 0.00 H new ATOM 0 HG2 PRO A 26 10.109 9.827 -5.236 1.00 0.00 H new ATOM 0 HG3 PRO A 26 10.549 8.327 -4.444 1.00 0.00 H new ATOM 0 HD2 PRO A 26 11.412 10.754 -3.533 1.00 0.00 H new ATOM 0 HD3 PRO A 26 12.358 9.295 -3.321 1.00 0.00 H new ATOM 499 N SER A 27 11.519 11.960 -6.822 1.00 0.00 N ATOM 500 CA SER A 27 10.953 13.011 -7.658 1.00 0.00 C ATOM 501 C SER A 27 10.660 14.262 -6.835 1.00 0.00 C ATOM 502 O SER A 27 11.160 15.346 -7.137 1.00 0.00 O ATOM 503 CB SER A 27 9.671 12.521 -8.334 1.00 0.00 C ATOM 504 OG SER A 27 8.791 11.933 -7.392 1.00 0.00 O ATOM 0 H SER A 27 11.335 12.069 -5.825 1.00 0.00 H new ATOM 0 HA SER A 27 11.686 13.264 -8.424 1.00 0.00 H new ATOM 0 HB2 SER A 27 9.175 13.356 -8.828 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.919 11.794 -9.108 1.00 0.00 H new ATOM 0 HG SER A 27 7.979 11.629 -7.848 1.00 0.00 H new ATOM 510 N GLY A 28 9.847 14.104 -5.796 1.00 0.00 N ATOM 511 CA GLY A 28 9.502 15.230 -4.947 1.00 0.00 C ATOM 512 C GLY A 28 9.701 14.933 -3.473 1.00 0.00 C ATOM 513 O GLY A 28 9.915 15.843 -2.673 1.00 0.00 O ATOM 0 H GLY A 28 9.421 13.217 -5.527 1.00 0.00 H new ATOM 0 HA2 GLY A 28 10.111 16.090 -5.226 1.00 0.00 H new ATOM 0 HA3 GLY A 28 8.462 15.506 -5.121 1.00 0.00 H new ATOM 517 N GLU A 29 9.627 13.656 -3.114 1.00 0.00 N ATOM 518 CA GLU A 29 9.800 13.235 -1.729 1.00 0.00 C ATOM 519 C GLU A 29 9.675 11.718 -1.608 1.00 0.00 C ATOM 520 O GLU A 29 10.449 11.084 -0.891 1.00 0.00 O ATOM 521 CB GLU A 29 8.766 13.925 -0.833 1.00 0.00 C ATOM 522 CG GLU A 29 9.322 15.119 -0.075 1.00 0.00 C ATOM 523 CD GLU A 29 9.486 14.845 1.407 1.00 0.00 C ATOM 524 OE1 GLU A 29 8.539 14.307 2.019 1.00 0.00 O ATOM 525 OE2 GLU A 29 10.562 15.164 1.955 1.00 0.00 O ATOM 0 H GLU A 29 9.448 12.892 -3.766 1.00 0.00 H new ATOM 0 HA GLU A 29 10.799 13.525 -1.403 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.927 14.253 -1.446 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.375 13.201 -0.118 1.00 0.00 H new ATOM 0 HG2 GLU A 29 10.288 15.396 -0.498 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.658 15.972 -0.211 1.00 0.00 H new ATOM 532 N ALA A 30 8.694 11.156 -2.324 1.00 0.00 N ATOM 533 CA ALA A 30 8.424 9.708 -2.340 1.00 0.00 C ATOM 534 C ALA A 30 7.057 9.384 -1.734 1.00 0.00 C ATOM 535 O ALA A 30 6.198 8.822 -2.414 1.00 0.00 O ATOM 536 CB ALA A 30 9.524 8.903 -1.656 1.00 0.00 C ATOM 0 H ALA A 30 8.059 11.694 -2.914 1.00 0.00 H new ATOM 0 HA ALA A 30 8.410 9.410 -3.388 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.277 7.842 -1.695 1.00 0.00 H new ATOM 0 HB2 ALA A 30 10.471 9.074 -2.167 1.00 0.00 H new ATOM 0 HB3 ALA A 30 9.611 9.217 -0.616 1.00 0.00 H new ATOM 542 N PRO A 31 6.815 9.732 -0.453 1.00 0.00 N ATOM 543 CA PRO A 31 5.529 9.467 0.195 1.00 0.00 C ATOM 544 C PRO A 31 4.459 10.451 -0.260 1.00 0.00 C ATOM 545 O PRO A 31 3.277 10.118 -0.318 1.00 0.00 O ATOM 546 CB PRO A 31 5.839 9.658 1.677 1.00 0.00 C ATOM 547 CG PRO A 31 6.934 10.667 1.698 1.00 0.00 C ATOM 548 CD PRO A 31 7.754 10.419 0.459 1.00 0.00 C ATOM 0 HA PRO A 31 5.136 8.479 -0.044 1.00 0.00 H new ATOM 0 HB2 PRO A 31 4.964 10.009 2.224 1.00 0.00 H new ATOM 0 HB3 PRO A 31 6.151 8.723 2.142 1.00 0.00 H new ATOM 0 HG2 PRO A 31 6.531 11.680 1.702 1.00 0.00 H new ATOM 0 HG3 PRO A 31 7.543 10.563 2.596 1.00 0.00 H new ATOM 0 HD2 PRO A 31 8.120 11.351 0.028 1.00 0.00 H new ATOM 0 HD3 PRO A 31 8.627 9.802 0.674 1.00 0.00 H new ATOM 556 N ASN A 32 4.894 11.667 -0.588 1.00 0.00 N ATOM 557 CA ASN A 32 4.003 12.728 -1.052 1.00 0.00 C ATOM 558 C ASN A 32 2.955 12.190 -2.027 1.00 0.00 C ATOM 559 O ASN A 32 1.772 12.507 -1.911 1.00 0.00 O ATOM 560 CB ASN A 32 4.833 13.840 -1.713 1.00 0.00 C ATOM 561 CG ASN A 32 4.052 14.643 -2.740 1.00 0.00 C ATOM 562 OD1 ASN A 32 3.286 15.541 -2.392 1.00 0.00 O ATOM 563 ND2 ASN A 32 4.248 14.319 -4.011 1.00 0.00 N ATOM 0 H ASN A 32 5.875 11.944 -0.539 1.00 0.00 H new ATOM 0 HA ASN A 32 3.471 13.134 -0.192 1.00 0.00 H new ATOM 0 HB2 ASN A 32 5.205 14.514 -0.941 1.00 0.00 H new ATOM 0 HB3 ASN A 32 5.704 13.396 -2.195 1.00 0.00 H new ATOM 0 HD21 ASN A 32 3.753 14.822 -4.748 1.00 0.00 H new ATOM 0 HD22 ASN A 32 4.893 13.567 -4.252 1.00 0.00 H new ATOM 570 N GLN A 33 3.397 11.378 -2.982 1.00 0.00 N ATOM 571 CA GLN A 33 2.491 10.803 -3.970 1.00 0.00 C ATOM 572 C GLN A 33 1.691 9.648 -3.375 1.00 0.00 C ATOM 573 O GLN A 33 0.595 9.339 -3.840 1.00 0.00 O ATOM 574 CB GLN A 33 3.262 10.324 -5.195 1.00 0.00 C ATOM 575 CG GLN A 33 4.424 9.400 -4.866 1.00 0.00 C ATOM 576 CD GLN A 33 5.002 8.731 -6.096 1.00 0.00 C ATOM 577 OE1 GLN A 33 4.561 7.654 -6.497 1.00 0.00 O ATOM 578 NE2 GLN A 33 5.998 9.367 -6.704 1.00 0.00 N ATOM 0 H GLN A 33 4.373 11.104 -3.093 1.00 0.00 H new ATOM 0 HA GLN A 33 1.795 11.585 -4.275 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.576 9.805 -5.865 1.00 0.00 H new ATOM 0 HB3 GLN A 33 3.641 11.191 -5.736 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.207 9.970 -4.365 1.00 0.00 H new ATOM 0 HG3 GLN A 33 4.089 8.636 -4.165 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.333 10.258 -6.338 1.00 0.00 H new ATOM 0 HE22 GLN A 33 6.427 8.964 -7.537 1.00 0.00 H new ATOM 587 N ALA A 34 2.235 9.029 -2.334 1.00 0.00 N ATOM 588 CA ALA A 34 1.559 7.930 -1.665 1.00 0.00 C ATOM 589 C ALA A 34 0.296 8.448 -1.004 1.00 0.00 C ATOM 590 O ALA A 34 -0.802 7.966 -1.273 1.00 0.00 O ATOM 591 CB ALA A 34 2.478 7.282 -0.640 1.00 0.00 C ATOM 0 H ALA A 34 3.143 9.271 -1.937 1.00 0.00 H new ATOM 0 HA ALA A 34 1.292 7.170 -2.399 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.955 6.461 -0.149 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.367 6.898 -1.140 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.772 8.022 0.105 1.00 0.00 H new ATOM 597 N LEU A 35 0.454 9.466 -0.165 1.00 0.00 N ATOM 598 CA LEU A 35 -0.689 10.074 0.499 1.00 0.00 C ATOM 599 C LEU A 35 -1.558 10.754 -0.543 1.00 0.00 C ATOM 600 O LEU A 35 -2.777 10.824 -0.406 1.00 0.00 O ATOM 601 CB LEU A 35 -0.262 11.098 1.554 1.00 0.00 C ATOM 602 CG LEU A 35 1.166 10.964 2.048 1.00 0.00 C ATOM 603 CD1 LEU A 35 2.068 11.881 1.241 1.00 0.00 C ATOM 604 CD2 LEU A 35 1.259 11.283 3.533 1.00 0.00 C ATOM 0 H LEU A 35 1.355 9.883 0.069 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.243 9.287 1.010 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.393 12.098 1.140 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.934 11.016 2.409 1.00 0.00 H new ATOM 0 HG LEU A 35 1.493 9.933 1.912 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.094 11.786 1.595 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.020 11.604 0.188 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.738 12.913 1.360 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.293 11.180 3.863 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.923 12.305 3.707 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.628 10.593 4.094 1.00 0.00 H new ATOM 616 N LEU A 36 -0.911 11.257 -1.592 1.00 0.00 N ATOM 617 CA LEU A 36 -1.619 11.931 -2.663 1.00 0.00 C ATOM 618 C LEU A 36 -2.526 10.954 -3.403 1.00 0.00 C ATOM 619 O LEU A 36 -3.723 11.199 -3.523 1.00 0.00 O ATOM 620 CB LEU A 36 -0.640 12.621 -3.625 1.00 0.00 C ATOM 621 CG LEU A 36 -0.544 14.139 -3.463 1.00 0.00 C ATOM 622 CD1 LEU A 36 0.613 14.692 -4.280 1.00 0.00 C ATOM 623 CD2 LEU A 36 -1.852 14.801 -3.873 1.00 0.00 C ATOM 0 H LEU A 36 0.100 11.208 -1.718 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.246 12.706 -2.223 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.351 12.191 -3.482 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.940 12.397 -4.649 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.359 14.362 -2.412 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.665 15.773 -4.152 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.546 14.241 -3.941 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.459 14.459 -5.333 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.767 15.881 -3.752 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.066 14.569 -4.916 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.661 14.428 -3.245 1.00 0.00 H new ATOM 635 N ARG A 37 -1.968 9.846 -3.899 1.00 0.00 N ATOM 636 CA ARG A 37 -2.764 8.862 -4.620 1.00 0.00 C ATOM 637 C ARG A 37 -3.813 8.249 -3.722 1.00 0.00 C ATOM 638 O ARG A 37 -4.909 7.927 -4.173 1.00 0.00 O ATOM 639 CB ARG A 37 -1.870 7.771 -5.210 1.00 0.00 C ATOM 640 CG ARG A 37 -2.615 6.792 -6.103 1.00 0.00 C ATOM 641 CD ARG A 37 -1.853 5.484 -6.255 1.00 0.00 C ATOM 642 NE ARG A 37 -2.723 4.322 -6.094 1.00 0.00 N ATOM 643 CZ ARG A 37 -3.128 3.858 -4.915 1.00 0.00 C ATOM 644 NH1 ARG A 37 -2.745 4.453 -3.792 1.00 0.00 N ATOM 645 NH2 ARG A 37 -3.920 2.796 -4.857 1.00 0.00 N ATOM 0 H ARG A 37 -0.978 9.614 -3.813 1.00 0.00 H new ATOM 0 HA ARG A 37 -3.271 9.377 -5.436 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -1.071 8.239 -5.785 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.397 7.221 -4.397 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -3.601 6.593 -5.683 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -2.771 7.240 -7.085 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -1.382 5.451 -7.237 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.053 5.443 -5.516 1.00 0.00 H new ATOM 0 HE ARG A 37 -3.038 3.838 -6.935 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -2.137 5.271 -3.830 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -3.059 4.092 -2.891 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -4.219 2.335 -5.716 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -4.231 2.440 -3.953 1.00 0.00 H new ATOM 659 N ILE A 38 -3.495 8.113 -2.448 1.00 0.00 N ATOM 660 CA ILE A 38 -4.452 7.561 -1.510 1.00 0.00 C ATOM 661 C ILE A 38 -5.502 8.608 -1.174 1.00 0.00 C ATOM 662 O ILE A 38 -6.699 8.365 -1.292 1.00 0.00 O ATOM 663 CB ILE A 38 -3.761 7.074 -0.225 1.00 0.00 C ATOM 664 CG1 ILE A 38 -2.657 6.079 -0.583 1.00 0.00 C ATOM 665 CG2 ILE A 38 -4.771 6.440 0.720 1.00 0.00 C ATOM 666 CD1 ILE A 38 -1.554 5.997 0.449 1.00 0.00 C ATOM 0 H ILE A 38 -2.595 8.373 -2.044 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.931 6.701 -1.978 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.316 7.928 0.285 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.098 5.090 -0.710 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -2.224 6.360 -1.543 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -4.262 6.102 1.623 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -5.532 7.174 0.985 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -5.244 5.589 0.230 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.807 5.271 0.127 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -1.086 6.975 0.559 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.973 5.685 1.406 1.00 0.00 H new ATOM 678 N LEU A 39 -5.041 9.781 -0.768 1.00 0.00 N ATOM 679 CA LEU A 39 -5.934 10.875 -0.423 1.00 0.00 C ATOM 680 C LEU A 39 -6.677 11.408 -1.648 1.00 0.00 C ATOM 681 O LEU A 39 -7.695 12.081 -1.504 1.00 0.00 O ATOM 682 CB LEU A 39 -5.150 12.008 0.241 1.00 0.00 C ATOM 683 CG LEU A 39 -6.006 13.146 0.802 1.00 0.00 C ATOM 684 CD1 LEU A 39 -5.443 13.635 2.128 1.00 0.00 C ATOM 685 CD2 LEU A 39 -6.092 14.290 -0.197 1.00 0.00 C ATOM 0 H LEU A 39 -4.050 10.000 -0.669 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.675 10.486 0.276 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -4.553 11.590 1.051 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.453 12.423 -0.487 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.012 12.766 0.977 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -6.065 14.444 2.511 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.434 12.814 2.845 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.426 13.998 1.980 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.704 15.090 0.218 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.091 14.669 -0.403 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.542 13.932 -1.123 1.00 0.00 H new ATOM 697 N LYS A 40 -6.178 11.117 -2.851 1.00 0.00 N ATOM 698 CA LYS A 40 -6.833 11.597 -4.063 1.00 0.00 C ATOM 699 C LYS A 40 -7.718 10.513 -4.672 1.00 0.00 C ATOM 700 O LYS A 40 -8.776 10.810 -5.229 1.00 0.00 O ATOM 701 CB LYS A 40 -5.798 12.098 -5.077 1.00 0.00 C ATOM 702 CG LYS A 40 -5.076 10.987 -5.828 1.00 0.00 C ATOM 703 CD LYS A 40 -3.814 11.468 -6.557 1.00 0.00 C ATOM 704 CE LYS A 40 -3.225 12.757 -5.983 1.00 0.00 C ATOM 705 NZ LYS A 40 -2.143 13.302 -6.850 1.00 0.00 N ATOM 0 H LYS A 40 -5.337 10.561 -3.008 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.474 12.436 -3.793 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -6.296 12.746 -5.799 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.061 12.709 -4.556 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -4.803 10.200 -5.125 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.759 10.544 -6.553 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.059 10.683 -6.513 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -4.051 11.624 -7.609 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -4.014 13.501 -5.875 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.830 12.564 -4.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -1.316 13.539 -6.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -1.874 12.590 -7.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -2.483 14.158 -7.332 1.00 0.00 H new ATOM 719 N GLU A 41 -7.299 9.256 -4.551 1.00 0.00 N ATOM 720 CA GLU A 41 -8.088 8.148 -5.083 1.00 0.00 C ATOM 721 C GLU A 41 -8.973 7.542 -3.995 1.00 0.00 C ATOM 722 O GLU A 41 -9.771 6.644 -4.259 1.00 0.00 O ATOM 723 CB GLU A 41 -7.178 7.079 -5.702 1.00 0.00 C ATOM 724 CG GLU A 41 -6.674 6.036 -4.714 1.00 0.00 C ATOM 725 CD GLU A 41 -7.451 4.736 -4.793 1.00 0.00 C ATOM 726 OE1 GLU A 41 -7.446 4.106 -5.872 1.00 0.00 O ATOM 727 OE2 GLU A 41 -8.063 4.347 -3.776 1.00 0.00 O ATOM 0 H GLU A 41 -6.429 8.981 -4.095 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.735 8.539 -5.869 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -7.722 6.573 -6.500 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -6.321 7.571 -6.162 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.620 5.837 -4.907 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.743 6.436 -3.702 1.00 0.00 H new ATOM 734 N THR A 42 -8.831 8.049 -2.774 1.00 0.00 N ATOM 735 CA THR A 42 -9.619 7.571 -1.650 1.00 0.00 C ATOM 736 C THR A 42 -10.158 8.745 -0.829 1.00 0.00 C ATOM 737 O THR A 42 -10.699 8.556 0.261 1.00 0.00 O ATOM 738 CB THR A 42 -8.777 6.640 -0.773 1.00 0.00 C ATOM 739 OG1 THR A 42 -8.362 5.502 -1.506 1.00 0.00 O ATOM 740 CG2 THR A 42 -9.501 6.148 0.462 1.00 0.00 C ATOM 0 H THR A 42 -8.174 8.794 -2.540 1.00 0.00 H new ATOM 0 HA THR A 42 -10.470 7.010 -2.036 1.00 0.00 H new ATOM 0 HB THR A 42 -7.926 7.243 -0.455 1.00 0.00 H new ATOM 0 HG1 THR A 42 -8.788 5.508 -2.389 1.00 0.00 H new ATOM 0 HG21 THR A 42 -8.842 5.494 1.034 1.00 0.00 H new ATOM 0 HG22 THR A 42 -9.790 7.000 1.078 1.00 0.00 H new ATOM 0 HG23 THR A 42 -10.392 5.595 0.165 1.00 0.00 H new ATOM 748 N GLU A 43 -10.013 9.960 -1.363 1.00 0.00 N ATOM 749 CA GLU A 43 -10.491 11.166 -0.682 1.00 0.00 C ATOM 750 C GLU A 43 -11.893 10.952 -0.128 1.00 0.00 C ATOM 751 O GLU A 43 -12.112 11.019 1.082 1.00 0.00 O ATOM 752 CB GLU A 43 -10.497 12.372 -1.631 1.00 0.00 C ATOM 753 CG GLU A 43 -10.619 12.008 -3.103 1.00 0.00 C ATOM 754 CD GLU A 43 -11.442 13.011 -3.887 1.00 0.00 C ATOM 755 OE1 GLU A 43 -11.201 14.227 -3.732 1.00 0.00 O ATOM 756 OE2 GLU A 43 -12.329 12.582 -4.656 1.00 0.00 O ATOM 0 H GLU A 43 -9.569 10.135 -2.264 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.806 11.369 0.141 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -11.324 13.028 -1.361 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -9.578 12.940 -1.484 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -9.623 11.941 -3.540 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -11.074 11.022 -3.193 1.00 0.00 H new ATOM 763 N PHE A 44 -12.840 10.698 -1.023 1.00 0.00 N ATOM 764 CA PHE A 44 -14.224 10.476 -0.628 1.00 0.00 C ATOM 765 C PHE A 44 -14.506 8.992 -0.404 1.00 0.00 C ATOM 766 O PHE A 44 -15.498 8.633 0.230 1.00 0.00 O ATOM 767 CB PHE A 44 -15.174 11.032 -1.691 1.00 0.00 C ATOM 768 CG PHE A 44 -15.545 12.471 -1.471 1.00 0.00 C ATOM 769 CD1 PHE A 44 -16.458 12.822 -0.490 1.00 0.00 C ATOM 770 CD2 PHE A 44 -14.978 13.471 -2.245 1.00 0.00 C ATOM 771 CE1 PHE A 44 -16.799 14.145 -0.286 1.00 0.00 C ATOM 772 CE2 PHE A 44 -15.317 14.796 -2.044 1.00 0.00 C ATOM 773 CZ PHE A 44 -16.228 15.133 -1.063 1.00 0.00 C ATOM 0 H PHE A 44 -12.674 10.641 -2.028 1.00 0.00 H new ATOM 0 HA PHE A 44 -14.390 11.000 0.313 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -14.708 10.931 -2.671 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -16.082 10.429 -1.706 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -16.908 12.054 0.121 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -14.264 13.213 -3.013 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -17.512 14.406 0.481 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -14.870 15.567 -2.654 1.00 0.00 H new ATOM 0 HZ PHE A 44 -16.494 16.168 -0.904 1.00 0.00 H new ATOM 783 N LYS A 45 -13.635 8.130 -0.925 1.00 0.00 N ATOM 784 CA LYS A 45 -13.816 6.692 -0.766 1.00 0.00 C ATOM 785 C LYS A 45 -13.787 6.304 0.711 1.00 0.00 C ATOM 786 O LYS A 45 -14.637 5.548 1.179 1.00 0.00 O ATOM 787 CB LYS A 45 -12.739 5.925 -1.534 1.00 0.00 C ATOM 788 CG LYS A 45 -12.632 6.327 -2.996 1.00 0.00 C ATOM 789 CD LYS A 45 -13.876 5.936 -3.774 1.00 0.00 C ATOM 790 CE LYS A 45 -14.145 6.900 -4.919 1.00 0.00 C ATOM 791 NZ LYS A 45 -15.046 6.309 -5.946 1.00 0.00 N ATOM 0 H LYS A 45 -12.806 8.400 -1.455 1.00 0.00 H new ATOM 0 HA LYS A 45 -14.791 6.427 -1.175 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -11.776 6.086 -1.050 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -12.952 4.858 -1.474 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -12.480 7.404 -3.068 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -11.758 5.852 -3.442 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -13.758 4.926 -4.168 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -14.735 5.918 -3.103 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -14.593 7.813 -4.526 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -13.201 7.182 -5.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -15.203 6.999 -6.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -14.608 5.452 -6.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -15.957 6.063 -5.508 1.00 0.00 H new ATOM 805 N LYS A 46 -12.803 6.823 1.440 1.00 0.00 N ATOM 806 CA LYS A 46 -12.669 6.528 2.862 1.00 0.00 C ATOM 807 C LYS A 46 -13.896 7.001 3.638 1.00 0.00 C ATOM 808 O LYS A 46 -14.201 6.483 4.712 1.00 0.00 O ATOM 809 CB LYS A 46 -11.410 7.190 3.425 1.00 0.00 C ATOM 810 CG LYS A 46 -11.450 8.708 3.386 1.00 0.00 C ATOM 811 CD LYS A 46 -10.457 9.319 4.361 1.00 0.00 C ATOM 812 CE LYS A 46 -9.032 9.209 3.845 1.00 0.00 C ATOM 813 NZ LYS A 46 -8.881 9.811 2.491 1.00 0.00 N ATOM 0 H LYS A 46 -12.088 7.449 1.070 1.00 0.00 H new ATOM 0 HA LYS A 46 -12.586 5.447 2.975 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -11.269 6.865 4.456 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -10.544 6.843 2.861 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -11.228 9.053 2.376 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -12.456 9.052 3.626 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -10.706 10.367 4.526 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -10.536 8.817 5.325 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -8.355 9.706 4.540 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -8.739 8.160 3.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -7.876 10.009 2.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -9.238 9.147 1.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -9.423 10.697 2.443 1.00 0.00 H new ATOM 827 N ILE A 47 -14.595 7.990 3.088 1.00 0.00 N ATOM 828 CA ILE A 47 -15.786 8.536 3.731 1.00 0.00 C ATOM 829 C ILE A 47 -16.837 7.453 3.959 1.00 0.00 C ATOM 830 O ILE A 47 -17.303 7.256 5.081 1.00 0.00 O ATOM 831 CB ILE A 47 -16.406 9.675 2.895 1.00 0.00 C ATOM 832 CG1 ILE A 47 -15.358 10.752 2.606 1.00 0.00 C ATOM 833 CG2 ILE A 47 -17.603 10.277 3.617 1.00 0.00 C ATOM 834 CD1 ILE A 47 -14.872 11.473 3.845 1.00 0.00 C ATOM 0 H ILE A 47 -14.357 8.429 2.199 1.00 0.00 H new ATOM 0 HA ILE A 47 -15.469 8.935 4.694 1.00 0.00 H new ATOM 0 HB ILE A 47 -16.750 9.261 1.947 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -14.506 10.293 2.105 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -15.780 11.481 1.914 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -18.027 11.079 3.012 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -18.357 9.506 3.778 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -17.284 10.678 4.579 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -14.131 12.222 3.563 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -15.714 11.962 4.335 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -14.420 10.755 4.530 1.00 0.00 H new ATOM 846 N LYS A 48 -17.206 6.753 2.891 1.00 0.00 N ATOM 847 CA LYS A 48 -18.202 5.692 2.984 1.00 0.00 C ATOM 848 C LYS A 48 -17.729 4.597 3.936 1.00 0.00 C ATOM 849 O LYS A 48 -18.532 3.972 4.629 1.00 0.00 O ATOM 850 CB LYS A 48 -18.482 5.100 1.602 1.00 0.00 C ATOM 851 CG LYS A 48 -17.224 4.762 0.819 1.00 0.00 C ATOM 852 CD LYS A 48 -17.533 3.892 -0.387 1.00 0.00 C ATOM 853 CE LYS A 48 -16.303 3.690 -1.257 1.00 0.00 C ATOM 854 NZ LYS A 48 -15.627 2.394 -0.970 1.00 0.00 N ATOM 0 H LYS A 48 -16.831 6.901 1.954 1.00 0.00 H new ATOM 0 HA LYS A 48 -19.124 6.121 3.375 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -19.082 4.197 1.717 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -19.079 5.808 1.027 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -16.741 5.682 0.490 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -16.518 4.246 1.469 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -17.907 2.924 -0.053 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -18.325 4.353 -0.976 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -16.592 3.724 -2.308 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -15.603 4.509 -1.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -14.793 2.294 -1.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -15.329 2.371 0.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -16.287 1.611 -1.152 1.00 0.00 H new ATOM 868 N VAL A 49 -16.420 4.374 3.964 1.00 0.00 N ATOM 869 CA VAL A 49 -15.833 3.359 4.830 1.00 0.00 C ATOM 870 C VAL A 49 -15.950 3.758 6.297 1.00 0.00 C ATOM 871 O VAL A 49 -16.271 2.931 7.151 1.00 0.00 O ATOM 872 CB VAL A 49 -14.348 3.127 4.491 1.00 0.00 C ATOM 873 CG1 VAL A 49 -13.795 1.955 5.288 1.00 0.00 C ATOM 874 CG2 VAL A 49 -14.172 2.896 2.998 1.00 0.00 C ATOM 0 H VAL A 49 -15.744 4.884 3.395 1.00 0.00 H new ATOM 0 HA VAL A 49 -16.387 2.436 4.661 1.00 0.00 H new ATOM 0 HB VAL A 49 -13.787 4.020 4.766 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -12.745 1.806 5.035 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -13.886 2.165 6.354 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -14.358 1.053 5.047 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -13.117 2.734 2.777 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -14.745 2.020 2.695 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -14.528 3.769 2.450 1.00 0.00 H new ATOM 884 N LEU A 50 -15.688 5.029 6.583 1.00 0.00 N ATOM 885 CA LEU A 50 -15.765 5.537 7.948 1.00 0.00 C ATOM 886 C LEU A 50 -17.216 5.685 8.392 1.00 0.00 C ATOM 887 O LEU A 50 -17.530 5.557 9.576 1.00 0.00 O ATOM 888 CB LEU A 50 -15.048 6.885 8.054 1.00 0.00 C ATOM 889 CG LEU A 50 -13.560 6.857 7.701 1.00 0.00 C ATOM 890 CD1 LEU A 50 -13.084 8.241 7.286 1.00 0.00 C ATOM 891 CD2 LEU A 50 -12.745 6.342 8.877 1.00 0.00 C ATOM 0 H LEU A 50 -15.421 5.726 5.888 1.00 0.00 H new ATOM 0 HA LEU A 50 -15.274 4.819 8.605 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -15.548 7.598 7.398 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -15.157 7.258 9.072 1.00 0.00 H new ATOM 0 HG LEU A 50 -13.417 6.179 6.860 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -12.023 8.202 7.039 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -13.648 8.574 6.414 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -13.239 8.941 8.107 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -11.688 6.328 8.609 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -12.893 6.996 9.736 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -13.068 5.332 9.129 1.00 0.00 H new ATOM 903 N GLY A 51 -18.099 5.954 7.436 1.00 0.00 N ATOM 904 CA GLY A 51 -19.506 6.113 7.749 1.00 0.00 C ATOM 905 C GLY A 51 -20.299 4.843 7.513 1.00 0.00 C ATOM 906 O GLY A 51 -21.488 4.893 7.202 1.00 0.00 O ATOM 0 H GLY A 51 -17.865 6.065 6.450 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -19.611 6.415 8.791 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -19.922 6.916 7.140 1.00 0.00 H new ATOM 910 N SER A 52 -19.636 3.700 7.658 1.00 0.00 N ATOM 911 CA SER A 52 -20.283 2.410 7.458 1.00 0.00 C ATOM 912 C SER A 52 -21.380 2.186 8.493 1.00 0.00 C ATOM 913 O SER A 52 -22.394 1.548 8.210 1.00 0.00 O ATOM 914 CB SER A 52 -19.253 1.282 7.537 1.00 0.00 C ATOM 915 OG SER A 52 -19.868 0.017 7.361 1.00 0.00 O ATOM 0 H SER A 52 -18.650 3.642 7.914 1.00 0.00 H new ATOM 0 HA SER A 52 -20.737 2.409 6.467 1.00 0.00 H new ATOM 0 HB2 SER A 52 -18.489 1.428 6.773 1.00 0.00 H new ATOM 0 HB3 SER A 52 -18.748 1.313 8.502 1.00 0.00 H new ATOM 0 HG SER A 52 -19.189 -0.687 7.414 1.00 0.00 H new ATOM 921 N GLY A 53 -21.170 2.714 9.695 1.00 0.00 N ATOM 922 CA GLY A 53 -22.149 2.560 10.754 1.00 0.00 C ATOM 923 C GLY A 53 -22.171 1.156 11.325 1.00 0.00 C ATOM 924 O GLY A 53 -21.117 0.695 11.808 1.00 0.00 O ATOM 925 OXT GLY A 53 -23.244 0.517 11.288 1.00 0.00 O ATOM 0 H GLY A 53 -20.339 3.246 9.954 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -21.931 3.270 11.552 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -23.138 2.808 10.369 1.00 0.00 H new TER 929 GLY A 53