USER MOD reduce.3.24.130724 H: found=0, std=0, add=565, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 563 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 39 HIS HD1 : A 39 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 47 THR OG1 : rot 80:sc= 0.153 USER MOD Set 1.2: A 72 GLN : amide:sc= 0.00423 X(o=0.16,f=0.14) USER MOD Set 2.1: A 44 LYS NZ :NH3+ 179:sc= 0 (180deg=-1.51e-05) USER MOD Set 2.2: A 49 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 16 SER OG : rot 22:sc= 1 USER MOD Set 3.2: A 37 GLN : amide:sc= -1.36 K(o=-0.36,f=0.67) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0756 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -167:sc= -0.0203 (180deg=-0.197) USER MOD Single : A 11 LYS NZ :NH3+ 151:sc=-0.000597 (180deg=-0.301) USER MOD Single : A 17 HIS : no HD1:sc= -0.752 X(o=-0.75,f=-0.31) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0296) USER MOD Single : A 27 HIS : no HD1:sc= -1.84 K(o=-1.8,f=-0.58) USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00845) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.226 X(o=-0.23,f=-0.57) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 TYR OH : rot 180:sc= -0.783 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.704 -14.226 -48.087 1.00 0.00 N ATOM 2 CA GLY A 1 -11.421 -14.354 -46.669 1.00 0.00 C ATOM 3 C GLY A 1 -10.088 -15.026 -46.403 1.00 0.00 C ATOM 4 O GLY A 1 -9.147 -14.388 -45.934 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.625 -13.761 -48.217 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.961 -13.655 -48.539 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.728 -15.170 -48.523 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.424 -13.365 -46.210 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.216 -14.929 -46.193 1.00 0.00 H new ATOM 8 N SER A 2 -10.009 -16.319 -46.702 1.00 0.00 N ATOM 9 CA SER A 2 -8.784 -17.080 -46.487 1.00 0.00 C ATOM 10 C SER A 2 -8.082 -16.629 -45.210 1.00 0.00 C ATOM 11 O SER A 2 -6.859 -16.497 -45.174 1.00 0.00 O ATOM 12 CB SER A 2 -7.843 -16.920 -47.683 1.00 0.00 C ATOM 13 OG SER A 2 -7.523 -15.557 -47.902 1.00 0.00 O ATOM 0 H SER A 2 -10.779 -16.861 -47.094 1.00 0.00 H new ATOM 0 HA SER A 2 -9.052 -18.131 -46.382 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.929 -17.488 -47.509 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.311 -17.335 -48.576 1.00 0.00 H new ATOM 0 HG SER A 2 -6.919 -15.482 -48.670 1.00 0.00 H new ATOM 19 N SER A 3 -8.866 -16.395 -44.162 1.00 0.00 N ATOM 20 CA SER A 3 -8.321 -15.955 -42.883 1.00 0.00 C ATOM 21 C SER A 3 -9.137 -16.518 -41.723 1.00 0.00 C ATOM 22 O SER A 3 -10.325 -16.805 -41.867 1.00 0.00 O ATOM 23 CB SER A 3 -8.300 -14.427 -42.812 1.00 0.00 C ATOM 24 OG SER A 3 -7.613 -13.980 -41.656 1.00 0.00 O ATOM 0 H SER A 3 -9.880 -16.503 -44.174 1.00 0.00 H new ATOM 0 HA SER A 3 -7.300 -16.329 -42.803 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.818 -14.025 -43.703 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.321 -14.046 -42.802 1.00 0.00 H new ATOM 0 HG SER A 3 -7.612 -13.000 -41.634 1.00 0.00 H new ATOM 30 N GLY A 4 -8.489 -16.674 -40.572 1.00 0.00 N ATOM 31 CA GLY A 4 -9.169 -17.202 -39.404 1.00 0.00 C ATOM 32 C GLY A 4 -8.209 -17.557 -38.286 1.00 0.00 C ATOM 33 O GLY A 4 -7.489 -18.552 -38.370 1.00 0.00 O ATOM 0 H GLY A 4 -7.506 -16.444 -40.428 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.887 -16.466 -39.042 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.736 -18.089 -39.687 1.00 0.00 H new ATOM 37 N SER A 5 -8.196 -16.741 -37.237 1.00 0.00 N ATOM 38 CA SER A 5 -7.313 -16.972 -36.100 1.00 0.00 C ATOM 39 C SER A 5 -8.117 -17.287 -34.842 1.00 0.00 C ATOM 40 O SER A 5 -9.233 -16.798 -34.668 1.00 0.00 O ATOM 41 CB SER A 5 -6.426 -15.749 -35.859 1.00 0.00 C ATOM 42 OG SER A 5 -5.351 -15.708 -36.782 1.00 0.00 O ATOM 0 H SER A 5 -8.787 -15.914 -37.151 1.00 0.00 H new ATOM 0 HA SER A 5 -6.682 -17.830 -36.331 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.022 -14.841 -35.949 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.035 -15.774 -34.842 1.00 0.00 H new ATOM 0 HG SER A 5 -4.800 -14.916 -36.608 1.00 0.00 H new ATOM 48 N SER A 6 -7.541 -18.106 -33.969 1.00 0.00 N ATOM 49 CA SER A 6 -8.204 -18.491 -32.728 1.00 0.00 C ATOM 50 C SER A 6 -7.274 -18.304 -31.534 1.00 0.00 C ATOM 51 O SER A 6 -6.224 -18.939 -31.446 1.00 0.00 O ATOM 52 CB SER A 6 -8.670 -19.946 -32.804 1.00 0.00 C ATOM 53 OG SER A 6 -9.406 -20.306 -31.648 1.00 0.00 O ATOM 0 H SER A 6 -6.616 -18.516 -34.098 1.00 0.00 H new ATOM 0 HA SER A 6 -9.072 -17.846 -32.594 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.287 -20.088 -33.691 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.806 -20.603 -32.909 1.00 0.00 H new ATOM 0 HG SER A 6 -9.694 -21.240 -31.721 1.00 0.00 H new ATOM 59 N GLY A 7 -7.668 -17.427 -30.616 1.00 0.00 N ATOM 60 CA GLY A 7 -6.859 -17.171 -29.438 1.00 0.00 C ATOM 61 C GLY A 7 -7.530 -16.219 -28.469 1.00 0.00 C ATOM 62 O GLY A 7 -6.953 -15.201 -28.086 1.00 0.00 O ATOM 0 H GLY A 7 -8.533 -16.889 -30.667 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.652 -18.114 -28.932 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.899 -16.756 -29.744 1.00 0.00 H new ATOM 66 N LYS A 8 -8.754 -16.549 -28.071 1.00 0.00 N ATOM 67 CA LYS A 8 -9.507 -15.716 -27.140 1.00 0.00 C ATOM 68 C LYS A 8 -9.024 -15.927 -25.708 1.00 0.00 C ATOM 69 O LYS A 8 -9.041 -17.038 -25.179 1.00 0.00 O ATOM 70 CB LYS A 8 -11.001 -16.030 -27.236 1.00 0.00 C ATOM 71 CG LYS A 8 -11.862 -15.177 -26.321 1.00 0.00 C ATOM 72 CD LYS A 8 -13.296 -15.099 -26.818 1.00 0.00 C ATOM 73 CE LYS A 8 -14.160 -14.250 -25.897 1.00 0.00 C ATOM 74 NZ LYS A 8 -14.267 -14.843 -24.535 1.00 0.00 N ATOM 0 H LYS A 8 -9.246 -17.388 -28.379 1.00 0.00 H new ATOM 0 HA LYS A 8 -9.343 -14.673 -27.411 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -11.328 -15.887 -28.266 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -11.159 -17.081 -26.994 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -11.847 -15.593 -25.314 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -11.443 -14.173 -26.257 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -13.311 -14.678 -27.823 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -13.714 -16.104 -26.887 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -13.738 -13.248 -25.825 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -15.156 -14.146 -26.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -15.027 -14.368 -24.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -14.482 -15.857 -24.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -13.366 -14.719 -24.030 1.00 0.00 H new ATOM 88 N PRO A 9 -8.583 -14.835 -25.065 1.00 0.00 N ATOM 89 CA PRO A 9 -8.089 -14.875 -23.685 1.00 0.00 C ATOM 90 C PRO A 9 -9.203 -15.139 -22.678 1.00 0.00 C ATOM 91 O PRO A 9 -10.344 -15.408 -23.056 1.00 0.00 O ATOM 92 CB PRO A 9 -7.502 -13.477 -23.479 1.00 0.00 C ATOM 93 CG PRO A 9 -8.237 -12.611 -24.443 1.00 0.00 C ATOM 94 CD PRO A 9 -8.534 -13.478 -25.634 1.00 0.00 C ATOM 0 HA PRO A 9 -7.371 -15.681 -23.532 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -7.643 -13.136 -22.453 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -6.430 -13.465 -23.674 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -9.156 -12.227 -24.001 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -7.636 -11.748 -24.729 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -9.479 -13.205 -26.104 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -7.761 -13.390 -26.398 1.00 0.00 H new ATOM 102 N ILE A 10 -8.865 -15.062 -21.395 1.00 0.00 N ATOM 103 CA ILE A 10 -9.838 -15.291 -20.335 1.00 0.00 C ATOM 104 C ILE A 10 -10.102 -14.013 -19.545 1.00 0.00 C ATOM 105 O ILE A 10 -9.250 -13.128 -19.471 1.00 0.00 O ATOM 106 CB ILE A 10 -9.365 -16.391 -19.366 1.00 0.00 C ATOM 107 CG1 ILE A 10 -8.096 -15.947 -18.635 1.00 0.00 C ATOM 108 CG2 ILE A 10 -9.122 -17.691 -20.118 1.00 0.00 C ATOM 109 CD1 ILE A 10 -7.815 -16.738 -17.377 1.00 0.00 C ATOM 0 H ILE A 10 -7.925 -14.843 -21.065 1.00 0.00 H new ATOM 0 HA ILE A 10 -10.760 -15.614 -20.818 1.00 0.00 H new ATOM 0 HB ILE A 10 -10.147 -16.563 -18.626 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -7.246 -16.040 -19.311 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -8.185 -14.891 -18.378 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -8.788 -18.458 -19.420 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -10.047 -18.013 -20.596 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -8.356 -17.534 -20.878 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -6.901 -16.369 -16.912 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -8.647 -16.625 -16.682 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -7.694 -17.791 -17.629 1.00 0.00 H new ATOM 121 N LYS A 11 -11.289 -13.924 -18.954 1.00 0.00 N ATOM 122 CA LYS A 11 -11.666 -12.757 -18.167 1.00 0.00 C ATOM 123 C LYS A 11 -11.246 -12.924 -16.710 1.00 0.00 C ATOM 124 O LYS A 11 -11.730 -13.818 -16.014 1.00 0.00 O ATOM 125 CB LYS A 11 -13.177 -12.527 -18.250 1.00 0.00 C ATOM 126 CG LYS A 11 -13.997 -13.786 -18.028 1.00 0.00 C ATOM 127 CD LYS A 11 -15.478 -13.471 -17.898 1.00 0.00 C ATOM 128 CE LYS A 11 -16.277 -14.704 -17.503 1.00 0.00 C ATOM 129 NZ LYS A 11 -15.998 -15.120 -16.100 1.00 0.00 N ATOM 0 H LYS A 11 -12.007 -14.647 -19.006 1.00 0.00 H new ATOM 0 HA LYS A 11 -11.149 -11.890 -18.579 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -13.464 -11.781 -17.509 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -13.420 -12.113 -19.229 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -13.842 -14.474 -18.859 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -13.651 -14.292 -17.127 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -15.621 -12.689 -17.152 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -15.853 -13.081 -18.844 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -17.341 -14.498 -17.616 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -16.037 -15.524 -18.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -16.836 -15.591 -15.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -15.192 -15.778 -16.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -15.770 -14.282 -15.528 1.00 0.00 H new ATOM 143 N ILE A 12 -10.346 -12.059 -16.256 1.00 0.00 N ATOM 144 CA ILE A 12 -9.864 -12.111 -14.881 1.00 0.00 C ATOM 145 C ILE A 12 -10.194 -10.823 -14.134 1.00 0.00 C ATOM 146 O ILE A 12 -9.338 -9.953 -13.967 1.00 0.00 O ATOM 147 CB ILE A 12 -8.343 -12.347 -14.826 1.00 0.00 C ATOM 148 CG1 ILE A 12 -7.984 -13.665 -15.516 1.00 0.00 C ATOM 149 CG2 ILE A 12 -7.859 -12.349 -13.384 1.00 0.00 C ATOM 150 CD1 ILE A 12 -6.542 -13.738 -15.967 1.00 0.00 C ATOM 0 H ILE A 12 -9.936 -11.314 -16.819 1.00 0.00 H new ATOM 0 HA ILE A 12 -10.371 -12.948 -14.400 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.845 -11.534 -15.355 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -8.185 -14.490 -14.832 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -8.634 -13.802 -16.380 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -6.782 -12.517 -13.362 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -8.086 -11.388 -12.923 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -8.362 -13.144 -12.833 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -6.359 -14.699 -16.447 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -6.341 -12.934 -16.675 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -5.885 -13.633 -15.104 1.00 0.00 H new ATOM 162 N ARG A 13 -11.440 -10.709 -13.685 1.00 0.00 N ATOM 163 CA ARG A 13 -11.883 -9.527 -12.955 1.00 0.00 C ATOM 164 C ARG A 13 -11.337 -9.532 -11.530 1.00 0.00 C ATOM 165 O ARG A 13 -10.618 -8.619 -11.127 1.00 0.00 O ATOM 166 CB ARG A 13 -13.411 -9.462 -12.927 1.00 0.00 C ATOM 167 CG ARG A 13 -14.018 -8.858 -14.183 1.00 0.00 C ATOM 168 CD ARG A 13 -13.973 -9.834 -15.348 1.00 0.00 C ATOM 169 NE ARG A 13 -14.975 -10.889 -15.218 1.00 0.00 N ATOM 170 CZ ARG A 13 -16.271 -10.703 -15.442 1.00 0.00 C ATOM 171 NH1 ARG A 13 -16.720 -9.509 -15.805 1.00 0.00 N ATOM 172 NH2 ARG A 13 -17.122 -11.712 -15.302 1.00 0.00 N ATOM 0 H ARG A 13 -12.160 -11.420 -13.814 1.00 0.00 H new ATOM 0 HA ARG A 13 -11.498 -8.647 -13.470 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -13.807 -10.468 -12.790 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -13.726 -8.876 -12.064 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -15.051 -8.571 -13.987 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -13.479 -7.948 -14.448 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -14.135 -9.293 -16.280 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -12.981 -10.282 -15.408 1.00 0.00 H new ATOM 0 HE ARG A 13 -14.662 -11.819 -14.940 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -16.070 -8.731 -15.913 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -17.716 -9.369 -15.976 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -16.781 -12.632 -15.022 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -18.117 -11.568 -15.474 1.00 0.00 H new ATOM 186 N GLY A 14 -11.686 -10.567 -10.772 1.00 0.00 N ATOM 187 CA GLY A 14 -11.223 -10.672 -9.400 1.00 0.00 C ATOM 188 C GLY A 14 -11.875 -9.651 -8.489 1.00 0.00 C ATOM 189 O GLY A 14 -11.714 -8.442 -8.660 1.00 0.00 O ATOM 0 H GLY A 14 -12.281 -11.335 -11.083 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -11.431 -11.674 -9.025 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -10.141 -10.540 -9.374 1.00 0.00 H new ATOM 193 N PRO A 15 -12.634 -10.137 -7.496 1.00 0.00 N ATOM 194 CA PRO A 15 -13.329 -9.275 -6.535 1.00 0.00 C ATOM 195 C PRO A 15 -12.366 -8.570 -5.587 1.00 0.00 C ATOM 196 O PRO A 15 -12.517 -7.381 -5.304 1.00 0.00 O ATOM 197 CB PRO A 15 -14.221 -10.251 -5.764 1.00 0.00 C ATOM 198 CG PRO A 15 -13.534 -11.568 -5.884 1.00 0.00 C ATOM 199 CD PRO A 15 -12.870 -11.567 -7.233 1.00 0.00 C ATOM 0 HA PRO A 15 -13.878 -8.474 -7.029 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -14.325 -9.952 -4.721 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -15.225 -10.288 -6.187 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -12.801 -11.700 -5.088 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -14.246 -12.389 -5.800 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -11.938 -12.133 -7.223 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -13.507 -12.016 -7.995 1.00 0.00 H new ATOM 207 N SER A 16 -11.376 -9.310 -5.098 1.00 0.00 N ATOM 208 CA SER A 16 -10.389 -8.755 -4.178 1.00 0.00 C ATOM 209 C SER A 16 -9.133 -9.620 -4.142 1.00 0.00 C ATOM 210 O SER A 16 -9.197 -10.835 -4.334 1.00 0.00 O ATOM 211 CB SER A 16 -10.982 -8.637 -2.772 1.00 0.00 C ATOM 212 OG SER A 16 -11.829 -7.505 -2.670 1.00 0.00 O ATOM 0 H SER A 16 -11.236 -10.295 -5.323 1.00 0.00 H new ATOM 0 HA SER A 16 -10.114 -7.762 -4.534 1.00 0.00 H new ATOM 0 HB2 SER A 16 -11.545 -9.539 -2.534 1.00 0.00 H new ATOM 0 HB3 SER A 16 -10.178 -8.561 -2.040 1.00 0.00 H new ATOM 0 HG SER A 16 -12.129 -7.239 -3.564 1.00 0.00 H new ATOM 218 N HIS A 17 -7.992 -8.986 -3.894 1.00 0.00 N ATOM 219 CA HIS A 17 -6.720 -9.696 -3.831 1.00 0.00 C ATOM 220 C HIS A 17 -5.880 -9.205 -2.656 1.00 0.00 C ATOM 221 O HIS A 17 -6.067 -8.090 -2.169 1.00 0.00 O ATOM 222 CB HIS A 17 -5.946 -9.515 -5.137 1.00 0.00 C ATOM 223 CG HIS A 17 -6.742 -9.859 -6.358 1.00 0.00 C ATOM 224 ND1 HIS A 17 -7.493 -8.934 -7.051 1.00 0.00 N ATOM 225 CD2 HIS A 17 -6.900 -11.035 -7.010 1.00 0.00 C ATOM 226 CE1 HIS A 17 -8.081 -9.526 -8.076 1.00 0.00 C ATOM 227 NE2 HIS A 17 -7.737 -10.801 -8.074 1.00 0.00 N ATOM 0 H HIS A 17 -7.922 -7.981 -3.733 1.00 0.00 H new ATOM 0 HA HIS A 17 -6.931 -10.755 -3.686 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -5.612 -8.480 -5.211 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -5.052 -10.138 -5.109 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -6.452 -11.981 -6.743 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -8.732 -9.048 -8.793 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -8.043 -11.499 -8.752 1.00 0.00 H new ATOM 236 N CYS A 18 -4.955 -10.045 -2.204 1.00 0.00 N ATOM 237 CA CYS A 18 -4.088 -9.698 -1.085 1.00 0.00 C ATOM 238 C CYS A 18 -3.239 -8.474 -1.415 1.00 0.00 C ATOM 239 O CYS A 18 -2.613 -8.406 -2.472 1.00 0.00 O ATOM 240 CB CYS A 18 -3.182 -10.879 -0.729 1.00 0.00 C ATOM 241 SG CYS A 18 -2.075 -10.567 0.684 1.00 0.00 S ATOM 0 H CYS A 18 -4.787 -10.971 -2.596 1.00 0.00 H new ATOM 0 HA CYS A 18 -4.719 -9.461 -0.228 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -3.804 -11.746 -0.505 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -2.579 -11.136 -1.600 1.00 0.00 H new ATOM 246 N ALA A 19 -3.222 -7.508 -0.501 1.00 0.00 N ATOM 247 CA ALA A 19 -2.449 -6.288 -0.693 1.00 0.00 C ATOM 248 C ALA A 19 -0.997 -6.485 -0.269 1.00 0.00 C ATOM 249 O ALA A 19 -0.284 -5.521 0.006 1.00 0.00 O ATOM 250 CB ALA A 19 -3.076 -5.139 0.082 1.00 0.00 C ATOM 0 H ALA A 19 -3.735 -7.548 0.380 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.460 -6.044 -1.755 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.488 -4.234 -0.070 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.094 -4.975 -0.271 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.096 -5.384 1.144 1.00 0.00 H new ATOM 256 N GLY A 20 -0.566 -7.742 -0.217 1.00 0.00 N ATOM 257 CA GLY A 20 0.798 -8.042 0.175 1.00 0.00 C ATOM 258 C GLY A 20 1.499 -8.953 -0.813 1.00 0.00 C ATOM 259 O GLY A 20 2.697 -8.812 -1.058 1.00 0.00 O ATOM 0 H GLY A 20 -1.137 -8.557 -0.439 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.359 -7.112 0.268 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.795 -8.512 1.159 1.00 0.00 H new ATOM 263 N CYS A 21 0.750 -9.892 -1.383 1.00 0.00 N ATOM 264 CA CYS A 21 1.306 -10.832 -2.349 1.00 0.00 C ATOM 265 C CYS A 21 0.544 -10.770 -3.669 1.00 0.00 C ATOM 266 O CYS A 21 0.910 -11.428 -4.643 1.00 0.00 O ATOM 267 CB CYS A 21 1.264 -12.255 -1.789 1.00 0.00 C ATOM 268 SG CYS A 21 -0.417 -12.881 -1.475 1.00 0.00 S ATOM 0 H CYS A 21 -0.244 -10.022 -1.192 1.00 0.00 H new ATOM 0 HA CYS A 21 2.343 -10.552 -2.535 1.00 0.00 H new ATOM 0 HB2 CYS A 21 1.765 -12.924 -2.489 1.00 0.00 H new ATOM 0 HB3 CYS A 21 1.831 -12.285 -0.859 1.00 0.00 H new ATOM 273 N LYS A 22 -0.520 -9.974 -3.694 1.00 0.00 N ATOM 274 CA LYS A 22 -1.335 -9.823 -4.894 1.00 0.00 C ATOM 275 C LYS A 22 -1.947 -11.158 -5.308 1.00 0.00 C ATOM 276 O LYS A 22 -1.847 -11.564 -6.465 1.00 0.00 O ATOM 277 CB LYS A 22 -0.492 -9.260 -6.041 1.00 0.00 C ATOM 278 CG LYS A 22 -0.024 -7.833 -5.808 1.00 0.00 C ATOM 279 CD LYS A 22 1.210 -7.789 -4.922 1.00 0.00 C ATOM 280 CE LYS A 22 1.744 -6.371 -4.781 1.00 0.00 C ATOM 281 NZ LYS A 22 2.843 -6.290 -3.780 1.00 0.00 N ATOM 0 H LYS A 22 -0.838 -9.423 -2.897 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.143 -9.127 -4.668 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.378 -9.899 -6.189 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.075 -9.297 -6.961 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.197 -7.361 -6.765 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.826 -7.257 -5.346 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.966 -8.187 -3.937 1.00 0.00 H new ATOM 0 HD3 LYS A 22 1.984 -8.431 -5.342 1.00 0.00 H new ATOM 0 HE2 LYS A 22 2.107 -6.022 -5.748 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.933 -5.705 -4.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 3.180 -5.308 -3.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.491 -6.599 -2.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.627 -6.906 -4.075 1.00 0.00 H new ATOM 295 N GLU A 23 -2.581 -11.833 -4.354 1.00 0.00 N ATOM 296 CA GLU A 23 -3.209 -13.122 -4.621 1.00 0.00 C ATOM 297 C GLU A 23 -4.677 -13.108 -4.205 1.00 0.00 C ATOM 298 O GLU A 23 -5.019 -12.646 -3.116 1.00 0.00 O ATOM 299 CB GLU A 23 -2.469 -14.238 -3.883 1.00 0.00 C ATOM 300 CG GLU A 23 -1.094 -14.539 -4.455 1.00 0.00 C ATOM 301 CD GLU A 23 -1.160 -15.308 -5.760 1.00 0.00 C ATOM 302 OE1 GLU A 23 -1.885 -16.323 -5.813 1.00 0.00 O ATOM 303 OE2 GLU A 23 -0.487 -14.896 -6.727 1.00 0.00 O ATOM 0 H GLU A 23 -2.673 -11.509 -3.391 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.155 -13.308 -5.694 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.364 -13.961 -2.834 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.073 -15.145 -3.914 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.559 -13.603 -4.616 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.520 -15.113 -3.728 1.00 0.00 H new ATOM 310 N GLU A 24 -5.540 -13.616 -5.079 1.00 0.00 N ATOM 311 CA GLU A 24 -6.971 -13.661 -4.803 1.00 0.00 C ATOM 312 C GLU A 24 -7.243 -14.313 -3.450 1.00 0.00 C ATOM 313 O GLU A 24 -6.801 -15.433 -3.189 1.00 0.00 O ATOM 314 CB GLU A 24 -7.703 -14.426 -5.907 1.00 0.00 C ATOM 315 CG GLU A 24 -9.186 -14.616 -5.636 1.00 0.00 C ATOM 316 CD GLU A 24 -9.916 -15.248 -6.805 1.00 0.00 C ATOM 317 OE1 GLU A 24 -9.252 -15.906 -7.633 1.00 0.00 O ATOM 318 OE2 GLU A 24 -11.151 -15.085 -6.892 1.00 0.00 O ATOM 0 H GLU A 24 -5.273 -14.002 -5.984 1.00 0.00 H new ATOM 0 HA GLU A 24 -7.342 -12.636 -4.775 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.580 -13.893 -6.850 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -7.237 -15.403 -6.031 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -9.313 -15.241 -4.752 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.637 -13.650 -5.410 1.00 0.00 H new ATOM 325 N ILE A 25 -7.973 -13.605 -2.595 1.00 0.00 N ATOM 326 CA ILE A 25 -8.305 -14.115 -1.270 1.00 0.00 C ATOM 327 C ILE A 25 -9.653 -14.827 -1.277 1.00 0.00 C ATOM 328 O ILE A 25 -10.679 -14.242 -0.929 1.00 0.00 O ATOM 329 CB ILE A 25 -8.340 -12.985 -0.225 1.00 0.00 C ATOM 330 CG1 ILE A 25 -6.962 -12.331 -0.102 1.00 0.00 C ATOM 331 CG2 ILE A 25 -8.798 -13.523 1.122 1.00 0.00 C ATOM 332 CD1 ILE A 25 -6.984 -11.007 0.628 1.00 0.00 C ATOM 0 H ILE A 25 -8.346 -12.677 -2.796 1.00 0.00 H new ATOM 0 HA ILE A 25 -7.523 -14.825 -1.000 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.053 -12.229 -0.554 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.291 -13.013 0.420 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -6.550 -12.180 -1.100 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -8.817 -12.712 1.850 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -9.797 -13.947 1.024 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -8.108 -14.296 1.459 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -5.973 -10.602 0.677 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -7.629 -10.308 0.095 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -7.365 -11.155 1.638 1.00 0.00 H new ATOM 344 N LYS A 26 -9.644 -16.095 -1.675 1.00 0.00 N ATOM 345 CA LYS A 26 -10.865 -16.891 -1.725 1.00 0.00 C ATOM 346 C LYS A 26 -11.524 -16.962 -0.351 1.00 0.00 C ATOM 347 O LYS A 26 -10.877 -17.295 0.643 1.00 0.00 O ATOM 348 CB LYS A 26 -10.558 -18.302 -2.229 1.00 0.00 C ATOM 349 CG LYS A 26 -9.998 -18.336 -3.641 1.00 0.00 C ATOM 350 CD LYS A 26 -11.053 -17.962 -4.668 1.00 0.00 C ATOM 351 CE LYS A 26 -11.930 -19.152 -5.025 1.00 0.00 C ATOM 352 NZ LYS A 26 -11.233 -20.100 -5.938 1.00 0.00 N ATOM 0 H LYS A 26 -8.804 -16.594 -1.968 1.00 0.00 H new ATOM 0 HA LYS A 26 -11.556 -16.408 -2.416 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.844 -18.773 -1.553 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -11.470 -18.897 -2.195 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -9.156 -17.648 -3.716 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -9.615 -19.333 -3.858 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -11.674 -17.156 -4.277 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.568 -17.583 -5.568 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -12.223 -19.674 -4.114 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -12.846 -18.799 -5.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -11.908 -20.814 -6.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -10.842 -19.578 -6.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -10.461 -20.571 -5.425 1.00 0.00 H new ATOM 366 N HIS A 27 -12.816 -16.650 -0.302 1.00 0.00 N ATOM 367 CA HIS A 27 -13.563 -16.682 0.950 1.00 0.00 C ATOM 368 C HIS A 27 -13.064 -17.806 1.852 1.00 0.00 C ATOM 369 O HIS A 27 -12.935 -18.951 1.421 1.00 0.00 O ATOM 370 CB HIS A 27 -15.056 -16.859 0.673 1.00 0.00 C ATOM 371 CG HIS A 27 -15.362 -17.988 -0.262 1.00 0.00 C ATOM 372 ND1 HIS A 27 -16.645 -18.334 -0.630 1.00 0.00 N ATOM 373 CD2 HIS A 27 -14.542 -18.851 -0.907 1.00 0.00 C ATOM 374 CE1 HIS A 27 -16.601 -19.362 -1.459 1.00 0.00 C ATOM 375 NE2 HIS A 27 -15.336 -19.694 -1.644 1.00 0.00 N ATOM 0 H HIS A 27 -13.366 -16.372 -1.115 1.00 0.00 H new ATOM 0 HA HIS A 27 -13.406 -15.733 1.462 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -15.575 -17.029 1.617 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -15.452 -15.934 0.254 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -13.464 -18.872 -0.852 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -17.454 -19.848 -1.909 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -15.003 -20.453 -2.238 1.00 0.00 H new ATOM 384 N GLY A 28 -12.784 -17.471 3.108 1.00 0.00 N ATOM 385 CA GLY A 28 -12.301 -18.464 4.051 1.00 0.00 C ATOM 386 C GLY A 28 -11.386 -17.868 5.102 1.00 0.00 C ATOM 387 O GLY A 28 -11.548 -18.127 6.294 1.00 0.00 O ATOM 0 H GLY A 28 -12.883 -16.530 3.489 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -13.151 -18.939 4.541 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -11.767 -19.245 3.510 1.00 0.00 H new ATOM 391 N GLN A 29 -10.421 -17.068 4.660 1.00 0.00 N ATOM 392 CA GLN A 29 -9.475 -16.437 5.572 1.00 0.00 C ATOM 393 C GLN A 29 -8.967 -15.116 5.001 1.00 0.00 C ATOM 394 O GLN A 29 -8.571 -15.043 3.838 1.00 0.00 O ATOM 395 CB GLN A 29 -8.297 -17.373 5.847 1.00 0.00 C ATOM 396 CG GLN A 29 -8.705 -18.697 6.473 1.00 0.00 C ATOM 397 CD GLN A 29 -7.514 -19.542 6.880 1.00 0.00 C ATOM 398 OE1 GLN A 29 -6.380 -19.064 6.908 1.00 0.00 O ATOM 399 NE2 GLN A 29 -7.766 -20.806 7.199 1.00 0.00 N ATOM 0 H GLN A 29 -10.274 -16.842 3.676 1.00 0.00 H new ATOM 0 HA GLN A 29 -9.994 -16.232 6.509 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -7.773 -17.569 4.911 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -7.591 -16.870 6.508 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -9.325 -18.505 7.348 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -9.317 -19.256 5.765 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -8.722 -21.161 7.162 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -7.004 -21.422 7.481 1.00 0.00 H new ATOM 408 N SER A 30 -8.983 -14.075 5.828 1.00 0.00 N ATOM 409 CA SER A 30 -8.529 -12.756 5.404 1.00 0.00 C ATOM 410 C SER A 30 -8.368 -11.826 6.603 1.00 0.00 C ATOM 411 O SER A 30 -8.982 -12.033 7.651 1.00 0.00 O ATOM 412 CB SER A 30 -9.515 -12.151 4.403 1.00 0.00 C ATOM 413 OG SER A 30 -10.797 -11.989 4.985 1.00 0.00 O ATOM 0 H SER A 30 -9.305 -14.120 6.795 1.00 0.00 H new ATOM 0 HA SER A 30 -7.558 -12.870 4.922 1.00 0.00 H new ATOM 0 HB2 SER A 30 -9.143 -11.186 4.060 1.00 0.00 H new ATOM 0 HB3 SER A 30 -9.589 -12.794 3.526 1.00 0.00 H new ATOM 0 HG SER A 30 -11.409 -11.599 4.326 1.00 0.00 H new ATOM 419 N LEU A 31 -7.539 -10.801 6.441 1.00 0.00 N ATOM 420 CA LEU A 31 -7.296 -9.838 7.509 1.00 0.00 C ATOM 421 C LEU A 31 -7.632 -8.422 7.052 1.00 0.00 C ATOM 422 O LEU A 31 -6.964 -7.863 6.182 1.00 0.00 O ATOM 423 CB LEU A 31 -5.836 -9.906 7.962 1.00 0.00 C ATOM 424 CG LEU A 31 -5.548 -9.404 9.377 1.00 0.00 C ATOM 425 CD1 LEU A 31 -4.140 -9.788 9.803 1.00 0.00 C ATOM 426 CD2 LEU A 31 -5.740 -7.897 9.458 1.00 0.00 C ATOM 0 H LEU A 31 -7.024 -10.615 5.580 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.943 -10.093 8.348 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.502 -10.941 7.890 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.232 -9.327 7.263 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.254 -9.877 10.060 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.953 -9.422 10.813 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.038 -10.873 9.785 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.419 -9.344 9.117 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.531 -7.558 10.472 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.059 -7.406 8.763 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.768 -7.647 9.197 1.00 0.00 H new ATOM 438 N LEU A 32 -8.672 -7.846 7.646 1.00 0.00 N ATOM 439 CA LEU A 32 -9.097 -6.493 7.303 1.00 0.00 C ATOM 440 C LEU A 32 -8.148 -5.457 7.896 1.00 0.00 C ATOM 441 O LEU A 32 -7.835 -5.497 9.086 1.00 0.00 O ATOM 442 CB LEU A 32 -10.521 -6.243 7.801 1.00 0.00 C ATOM 443 CG LEU A 32 -11.647 -6.653 6.852 1.00 0.00 C ATOM 444 CD1 LEU A 32 -11.566 -5.862 5.555 1.00 0.00 C ATOM 445 CD2 LEU A 32 -11.589 -8.148 6.571 1.00 0.00 C ATOM 0 H LEU A 32 -9.236 -8.295 8.367 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.077 -6.396 6.217 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -10.654 -6.777 8.742 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.626 -5.180 8.020 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.600 -6.430 7.331 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -12.375 -6.167 4.892 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.656 -4.798 5.772 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.608 -6.054 5.071 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.398 -8.423 5.894 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.632 -8.395 6.112 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -11.696 -8.698 7.506 1.00 0.00 H new ATOM 457 N ALA A 33 -7.696 -4.528 7.060 1.00 0.00 N ATOM 458 CA ALA A 33 -6.786 -3.479 7.503 1.00 0.00 C ATOM 459 C ALA A 33 -6.579 -2.435 6.411 1.00 0.00 C ATOM 460 O ALA A 33 -6.425 -2.773 5.236 1.00 0.00 O ATOM 461 CB ALA A 33 -5.452 -4.079 7.922 1.00 0.00 C ATOM 0 H ALA A 33 -7.945 -4.481 6.072 1.00 0.00 H new ATOM 0 HA ALA A 33 -7.235 -2.983 8.364 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -4.783 -3.284 8.250 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.610 -4.781 8.740 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.006 -4.602 7.076 1.00 0.00 H new ATOM 467 N LEU A 34 -6.577 -1.166 6.804 1.00 0.00 N ATOM 468 CA LEU A 34 -6.389 -0.072 5.858 1.00 0.00 C ATOM 469 C LEU A 34 -7.366 -0.187 4.692 1.00 0.00 C ATOM 470 O LEU A 34 -7.001 0.043 3.539 1.00 0.00 O ATOM 471 CB LEU A 34 -4.951 -0.065 5.335 1.00 0.00 C ATOM 472 CG LEU A 34 -3.887 0.452 6.304 1.00 0.00 C ATOM 473 CD1 LEU A 34 -3.459 -0.647 7.263 1.00 0.00 C ATOM 474 CD2 LEU A 34 -2.687 0.992 5.539 1.00 0.00 C ATOM 0 H LEU A 34 -6.704 -0.869 7.772 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.584 0.865 6.380 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.686 -1.082 5.045 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.917 0.543 4.431 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.318 1.266 6.887 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.701 -0.260 7.945 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.322 -0.987 7.835 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.046 -1.483 6.698 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.940 1.356 6.244 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.255 0.197 4.931 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.005 1.811 4.893 1.00 0.00 H new ATOM 486 N ASP A 35 -8.608 -0.541 5.001 1.00 0.00 N ATOM 487 CA ASP A 35 -9.639 -0.683 3.979 1.00 0.00 C ATOM 488 C ASP A 35 -9.186 -1.638 2.879 1.00 0.00 C ATOM 489 O ASP A 35 -9.628 -1.538 1.734 1.00 0.00 O ATOM 490 CB ASP A 35 -9.982 0.681 3.378 1.00 0.00 C ATOM 491 CG ASP A 35 -11.223 0.635 2.508 1.00 0.00 C ATOM 492 OD1 ASP A 35 -12.339 0.724 3.061 1.00 0.00 O ATOM 493 OD2 ASP A 35 -11.078 0.511 1.274 1.00 0.00 O ATOM 0 H ASP A 35 -8.926 -0.735 5.951 1.00 0.00 H new ATOM 0 HA ASP A 35 -10.530 -1.098 4.451 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -10.132 1.402 4.182 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -9.139 1.036 2.785 1.00 0.00 H new ATOM 498 N LYS A 36 -8.302 -2.564 3.234 1.00 0.00 N ATOM 499 CA LYS A 36 -7.789 -3.539 2.279 1.00 0.00 C ATOM 500 C LYS A 36 -7.886 -4.954 2.840 1.00 0.00 C ATOM 501 O LYS A 36 -8.289 -5.150 3.986 1.00 0.00 O ATOM 502 CB LYS A 36 -6.335 -3.218 1.924 1.00 0.00 C ATOM 503 CG LYS A 36 -6.190 -2.303 0.720 1.00 0.00 C ATOM 504 CD LYS A 36 -4.813 -1.662 0.670 1.00 0.00 C ATOM 505 CE LYS A 36 -4.552 -1.009 -0.679 1.00 0.00 C ATOM 506 NZ LYS A 36 -4.215 -2.014 -1.726 1.00 0.00 N ATOM 0 H LYS A 36 -7.926 -2.660 4.177 1.00 0.00 H new ATOM 0 HA LYS A 36 -8.398 -3.483 1.377 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.854 -2.752 2.784 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.804 -4.149 1.728 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.361 -2.872 -0.194 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.953 -1.526 0.758 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.729 -0.915 1.459 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.051 -2.417 0.863 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.433 -0.446 -0.986 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.734 -0.295 -0.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.978 -1.525 -2.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.400 -2.580 -1.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.031 -2.639 -1.883 1.00 0.00 H new ATOM 520 N GLN A 37 -7.515 -5.935 2.024 1.00 0.00 N ATOM 521 CA GLN A 37 -7.560 -7.332 2.440 1.00 0.00 C ATOM 522 C GLN A 37 -6.187 -7.982 2.316 1.00 0.00 C ATOM 523 O GLN A 37 -5.646 -8.107 1.217 1.00 0.00 O ATOM 524 CB GLN A 37 -8.581 -8.103 1.602 1.00 0.00 C ATOM 525 CG GLN A 37 -10.025 -7.783 1.954 1.00 0.00 C ATOM 526 CD GLN A 37 -10.986 -8.106 0.827 1.00 0.00 C ATOM 527 OE1 GLN A 37 -11.865 -7.309 0.498 1.00 0.00 O ATOM 528 NE2 GLN A 37 -10.824 -9.280 0.229 1.00 0.00 N ATOM 0 H GLN A 37 -7.180 -5.789 1.072 1.00 0.00 H new ATOM 0 HA GLN A 37 -7.862 -7.363 3.487 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -8.415 -7.881 0.548 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -8.412 -9.172 1.733 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -10.311 -8.345 2.843 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -10.108 -6.726 2.205 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -10.082 -9.910 0.534 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -11.442 -9.552 -0.536 1.00 0.00 H new ATOM 537 N TRP A 38 -5.628 -8.395 3.448 1.00 0.00 N ATOM 538 CA TRP A 38 -4.316 -9.032 3.464 1.00 0.00 C ATOM 539 C TRP A 38 -4.388 -10.409 4.116 1.00 0.00 C ATOM 540 O TRP A 38 -5.310 -10.698 4.880 1.00 0.00 O ATOM 541 CB TRP A 38 -3.309 -8.154 4.209 1.00 0.00 C ATOM 542 CG TRP A 38 -3.532 -6.687 4.000 1.00 0.00 C ATOM 543 CD1 TRP A 38 -4.663 -5.980 4.293 1.00 0.00 C ATOM 544 CD2 TRP A 38 -2.601 -5.748 3.452 1.00 0.00 C ATOM 545 NE1 TRP A 38 -4.491 -4.658 3.959 1.00 0.00 N ATOM 546 CE2 TRP A 38 -3.234 -4.490 3.442 1.00 0.00 C ATOM 547 CE3 TRP A 38 -1.293 -5.847 2.970 1.00 0.00 C ATOM 548 CZ2 TRP A 38 -2.603 -3.343 2.969 1.00 0.00 C ATOM 549 CZ3 TRP A 38 -0.668 -4.708 2.500 1.00 0.00 C ATOM 550 CH2 TRP A 38 -1.322 -3.469 2.503 1.00 0.00 C ATOM 0 H TRP A 38 -6.062 -8.300 4.366 1.00 0.00 H new ATOM 0 HA TRP A 38 -3.987 -9.155 2.432 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -3.364 -8.374 5.275 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -2.302 -8.411 3.882 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -5.561 -6.398 4.724 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -5.187 -3.921 4.077 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -0.780 -6.797 2.965 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -3.106 -2.387 2.970 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 0.342 -4.774 2.124 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -0.806 -2.597 2.131 1.00 0.00 H new ATOM 561 N HIS A 39 -3.411 -11.256 3.810 1.00 0.00 N ATOM 562 CA HIS A 39 -3.364 -12.603 4.368 1.00 0.00 C ATOM 563 C HIS A 39 -2.840 -12.580 5.801 1.00 0.00 C ATOM 564 O HIS A 39 -2.309 -11.570 6.262 1.00 0.00 O ATOM 565 CB HIS A 39 -2.480 -13.504 3.504 1.00 0.00 C ATOM 566 CG HIS A 39 -3.118 -13.904 2.209 1.00 0.00 C ATOM 567 ND1 HIS A 39 -2.445 -13.896 1.005 1.00 0.00 N ATOM 568 CD2 HIS A 39 -4.373 -14.327 1.933 1.00 0.00 C ATOM 569 CE1 HIS A 39 -3.260 -14.295 0.045 1.00 0.00 C ATOM 570 NE2 HIS A 39 -4.436 -14.563 0.582 1.00 0.00 N ATOM 0 H HIS A 39 -2.641 -11.034 3.179 1.00 0.00 H new ATOM 0 HA HIS A 39 -4.378 -13.002 4.377 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -1.544 -12.987 3.294 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -2.229 -14.402 4.069 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -5.176 -14.455 2.644 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -3.007 -14.386 -1.001 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -5.258 -14.892 0.075 1.00 0.00 H new ATOM 578 N VAL A 40 -2.995 -13.700 6.500 1.00 0.00 N ATOM 579 CA VAL A 40 -2.538 -13.808 7.880 1.00 0.00 C ATOM 580 C VAL A 40 -1.015 -13.830 7.955 1.00 0.00 C ATOM 581 O VAL A 40 -0.431 -13.552 9.002 1.00 0.00 O ATOM 582 CB VAL A 40 -3.093 -15.076 8.557 1.00 0.00 C ATOM 583 CG1 VAL A 40 -2.796 -15.058 10.049 1.00 0.00 C ATOM 584 CG2 VAL A 40 -4.587 -15.204 8.304 1.00 0.00 C ATOM 0 H VAL A 40 -3.433 -14.545 6.133 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.912 -12.930 8.407 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.599 -15.945 8.123 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.195 -15.961 10.510 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.718 -15.017 10.205 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -3.262 -14.183 10.502 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -4.962 -16.105 8.789 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -5.101 -14.332 8.710 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.770 -15.266 7.231 1.00 0.00 H new ATOM 594 N SER A 41 -0.378 -14.163 6.837 1.00 0.00 N ATOM 595 CA SER A 41 1.077 -14.225 6.776 1.00 0.00 C ATOM 596 C SER A 41 1.626 -13.172 5.818 1.00 0.00 C ATOM 597 O SER A 41 2.764 -13.267 5.358 1.00 0.00 O ATOM 598 CB SER A 41 1.532 -15.618 6.335 1.00 0.00 C ATOM 599 OG SER A 41 0.880 -16.012 5.140 1.00 0.00 O ATOM 0 H SER A 41 -0.847 -14.394 5.961 1.00 0.00 H new ATOM 0 HA SER A 41 1.466 -14.022 7.774 1.00 0.00 H new ATOM 0 HB2 SER A 41 2.611 -15.620 6.182 1.00 0.00 H new ATOM 0 HB3 SER A 41 1.320 -16.340 7.124 1.00 0.00 H new ATOM 0 HG SER A 41 1.189 -16.904 4.878 1.00 0.00 H new ATOM 605 N CYS A 42 0.809 -12.166 5.523 1.00 0.00 N ATOM 606 CA CYS A 42 1.210 -11.094 4.620 1.00 0.00 C ATOM 607 C CYS A 42 1.107 -9.736 5.309 1.00 0.00 C ATOM 608 O CYS A 42 1.887 -8.826 5.031 1.00 0.00 O ATOM 609 CB CYS A 42 0.340 -11.107 3.362 1.00 0.00 C ATOM 610 SG CYS A 42 0.741 -12.447 2.194 1.00 0.00 S ATOM 0 H CYS A 42 -0.135 -12.071 5.897 1.00 0.00 H new ATOM 0 HA CYS A 42 2.249 -11.260 4.337 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.705 -11.198 3.657 1.00 0.00 H new ATOM 0 HB3 CYS A 42 0.445 -10.150 2.851 1.00 0.00 H new ATOM 615 N PHE A 43 0.138 -9.608 6.210 1.00 0.00 N ATOM 616 CA PHE A 43 -0.068 -8.362 6.939 1.00 0.00 C ATOM 617 C PHE A 43 1.029 -8.152 7.978 1.00 0.00 C ATOM 618 O PHE A 43 0.983 -8.718 9.070 1.00 0.00 O ATOM 619 CB PHE A 43 -1.438 -8.365 7.620 1.00 0.00 C ATOM 620 CG PHE A 43 -1.839 -7.025 8.167 1.00 0.00 C ATOM 621 CD1 PHE A 43 -1.856 -5.906 7.350 1.00 0.00 C ATOM 622 CD2 PHE A 43 -2.199 -6.885 9.497 1.00 0.00 C ATOM 623 CE1 PHE A 43 -2.225 -4.671 7.850 1.00 0.00 C ATOM 624 CE2 PHE A 43 -2.569 -5.653 10.003 1.00 0.00 C ATOM 625 CZ PHE A 43 -2.581 -4.544 9.178 1.00 0.00 C ATOM 0 H PHE A 43 -0.517 -10.352 6.453 1.00 0.00 H new ATOM 0 HA PHE A 43 -0.028 -7.541 6.223 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -2.190 -8.696 6.904 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -1.430 -9.092 8.432 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -1.578 -6.000 6.311 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -2.191 -7.748 10.146 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -2.235 -3.807 7.203 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -2.848 -5.557 11.042 1.00 0.00 H new ATOM 0 HZ PHE A 43 -2.868 -3.580 9.571 1.00 0.00 H new ATOM 635 N LYS A 44 2.016 -7.333 7.630 1.00 0.00 N ATOM 636 CA LYS A 44 3.126 -7.046 8.531 1.00 0.00 C ATOM 637 C LYS A 44 3.659 -5.635 8.306 1.00 0.00 C ATOM 638 O LYS A 44 3.270 -4.958 7.353 1.00 0.00 O ATOM 639 CB LYS A 44 4.250 -8.065 8.330 1.00 0.00 C ATOM 640 CG LYS A 44 4.460 -8.460 6.879 1.00 0.00 C ATOM 641 CD LYS A 44 5.604 -9.450 6.730 1.00 0.00 C ATOM 642 CE LYS A 44 5.700 -9.981 5.308 1.00 0.00 C ATOM 643 NZ LYS A 44 6.152 -8.931 4.354 1.00 0.00 N ATOM 0 H LYS A 44 2.070 -6.856 6.730 1.00 0.00 H new ATOM 0 HA LYS A 44 2.758 -7.117 9.554 1.00 0.00 H new ATOM 0 HB2 LYS A 44 5.179 -7.651 8.723 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.027 -8.959 8.913 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.544 -8.899 6.484 1.00 0.00 H new ATOM 0 HG3 LYS A 44 4.668 -7.570 6.285 1.00 0.00 H new ATOM 0 HD2 LYS A 44 6.542 -8.967 7.003 1.00 0.00 H new ATOM 0 HD3 LYS A 44 5.460 -10.281 7.421 1.00 0.00 H new ATOM 0 HE2 LYS A 44 6.394 -10.821 5.280 1.00 0.00 H new ATOM 0 HE3 LYS A 44 4.727 -10.361 4.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.221 -9.336 3.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 5.467 -8.148 4.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 7.084 -8.574 4.647 1.00 0.00 H new ATOM 657 N CYS A 45 4.551 -5.196 9.188 1.00 0.00 N ATOM 658 CA CYS A 45 5.138 -3.865 9.085 1.00 0.00 C ATOM 659 C CYS A 45 5.722 -3.635 7.694 1.00 0.00 C ATOM 660 O CYS A 45 5.883 -4.573 6.914 1.00 0.00 O ATOM 661 CB CYS A 45 6.227 -3.682 10.144 1.00 0.00 C ATOM 662 SG CYS A 45 6.751 -1.954 10.380 1.00 0.00 S ATOM 0 H CYS A 45 4.883 -5.743 9.982 1.00 0.00 H new ATOM 0 HA CYS A 45 4.349 -3.132 9.255 1.00 0.00 H new ATOM 0 HB2 CYS A 45 5.864 -4.073 11.094 1.00 0.00 H new ATOM 0 HB3 CYS A 45 7.095 -4.279 9.864 1.00 0.00 H new ATOM 667 N GLN A 46 6.038 -2.380 7.392 1.00 0.00 N ATOM 668 CA GLN A 46 6.604 -2.026 6.095 1.00 0.00 C ATOM 669 C GLN A 46 8.084 -1.678 6.224 1.00 0.00 C ATOM 670 O GLN A 46 8.809 -1.626 5.230 1.00 0.00 O ATOM 671 CB GLN A 46 5.842 -0.848 5.487 1.00 0.00 C ATOM 672 CG GLN A 46 6.470 -0.311 4.210 1.00 0.00 C ATOM 673 CD GLN A 46 6.678 -1.389 3.165 1.00 0.00 C ATOM 674 OE1 GLN A 46 7.798 -1.618 2.707 1.00 0.00 O ATOM 675 NE2 GLN A 46 5.597 -2.058 2.780 1.00 0.00 N ATOM 0 H GLN A 46 5.912 -1.592 8.027 1.00 0.00 H new ATOM 0 HA GLN A 46 6.508 -2.890 5.437 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.818 -1.158 5.276 1.00 0.00 H new ATOM 0 HB3 GLN A 46 5.787 -0.044 6.221 1.00 0.00 H new ATOM 0 HG2 GLN A 46 5.833 0.472 3.798 1.00 0.00 H new ATOM 0 HG3 GLN A 46 7.429 0.150 4.447 1.00 0.00 H new ATOM 0 HE21 GLN A 46 4.688 -1.835 3.186 1.00 0.00 H new ATOM 0 HE22 GLN A 46 5.676 -2.794 2.079 1.00 0.00 H new ATOM 684 N THR A 47 8.526 -1.440 7.455 1.00 0.00 N ATOM 685 CA THR A 47 9.918 -1.095 7.713 1.00 0.00 C ATOM 686 C THR A 47 10.700 -2.304 8.215 1.00 0.00 C ATOM 687 O THR A 47 11.848 -2.518 7.827 1.00 0.00 O ATOM 688 CB THR A 47 10.033 0.041 8.747 1.00 0.00 C ATOM 689 OG1 THR A 47 9.458 1.242 8.220 1.00 0.00 O ATOM 690 CG2 THR A 47 11.487 0.290 9.118 1.00 0.00 C ATOM 0 H THR A 47 7.940 -1.480 8.289 1.00 0.00 H new ATOM 0 HA THR A 47 10.341 -0.759 6.766 1.00 0.00 H new ATOM 0 HB THR A 47 9.492 -0.258 9.645 1.00 0.00 H new ATOM 0 HG1 THR A 47 8.482 1.202 8.303 1.00 0.00 H new ATOM 0 HG21 THR A 47 11.543 1.096 9.849 1.00 0.00 H new ATOM 0 HG22 THR A 47 11.914 -0.617 9.545 1.00 0.00 H new ATOM 0 HG23 THR A 47 12.047 0.570 8.226 1.00 0.00 H new ATOM 698 N CYS A 48 10.070 -3.092 9.080 1.00 0.00 N ATOM 699 CA CYS A 48 10.706 -4.281 9.635 1.00 0.00 C ATOM 700 C CYS A 48 10.091 -5.550 9.052 1.00 0.00 C ATOM 701 O CYS A 48 10.698 -6.620 9.090 1.00 0.00 O ATOM 702 CB CYS A 48 10.573 -4.291 11.160 1.00 0.00 C ATOM 703 SG CYS A 48 8.864 -4.495 11.756 1.00 0.00 S ATOM 0 H CYS A 48 9.119 -2.929 9.412 1.00 0.00 H new ATOM 0 HA CYS A 48 11.763 -4.255 9.369 1.00 0.00 H new ATOM 0 HB2 CYS A 48 11.185 -5.098 11.562 1.00 0.00 H new ATOM 0 HB3 CYS A 48 10.975 -3.358 11.555 1.00 0.00 H new ATOM 708 N SER A 49 8.883 -5.422 8.513 1.00 0.00 N ATOM 709 CA SER A 49 8.184 -6.558 7.924 1.00 0.00 C ATOM 710 C SER A 49 7.881 -7.616 8.981 1.00 0.00 C ATOM 711 O SER A 49 8.232 -8.786 8.824 1.00 0.00 O ATOM 712 CB SER A 49 9.019 -7.170 6.798 1.00 0.00 C ATOM 713 OG SER A 49 8.735 -6.547 5.557 1.00 0.00 O ATOM 0 H SER A 49 8.368 -4.543 8.472 1.00 0.00 H new ATOM 0 HA SER A 49 7.241 -6.199 7.513 1.00 0.00 H new ATOM 0 HB2 SER A 49 10.079 -7.064 7.028 1.00 0.00 H new ATOM 0 HB3 SER A 49 8.814 -8.238 6.728 1.00 0.00 H new ATOM 0 HG SER A 49 9.282 -6.954 4.854 1.00 0.00 H new ATOM 719 N VAL A 50 7.227 -7.196 10.060 1.00 0.00 N ATOM 720 CA VAL A 50 6.876 -8.107 11.143 1.00 0.00 C ATOM 721 C VAL A 50 5.373 -8.357 11.185 1.00 0.00 C ATOM 722 O VAL A 50 4.575 -7.432 11.028 1.00 0.00 O ATOM 723 CB VAL A 50 7.331 -7.557 12.508 1.00 0.00 C ATOM 724 CG1 VAL A 50 6.473 -6.370 12.919 1.00 0.00 C ATOM 725 CG2 VAL A 50 7.285 -8.650 13.565 1.00 0.00 C ATOM 0 H VAL A 50 6.930 -6.231 10.207 1.00 0.00 H new ATOM 0 HA VAL A 50 7.393 -9.046 10.947 1.00 0.00 H new ATOM 0 HB VAL A 50 8.362 -7.215 12.417 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.809 -5.995 13.886 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.562 -5.581 12.173 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.431 -6.682 12.994 1.00 0.00 H new ATOM 0 HG21 VAL A 50 7.610 -8.244 14.523 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.266 -9.025 13.657 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.947 -9.466 13.274 1.00 0.00 H new ATOM 735 N ILE A 51 4.993 -9.613 11.396 1.00 0.00 N ATOM 736 CA ILE A 51 3.586 -9.985 11.460 1.00 0.00 C ATOM 737 C ILE A 51 2.846 -9.160 12.508 1.00 0.00 C ATOM 738 O ILE A 51 3.272 -9.074 13.660 1.00 0.00 O ATOM 739 CB ILE A 51 3.412 -11.480 11.784 1.00 0.00 C ATOM 740 CG1 ILE A 51 4.108 -12.338 10.725 1.00 0.00 C ATOM 741 CG2 ILE A 51 1.936 -11.835 11.875 1.00 0.00 C ATOM 742 CD1 ILE A 51 3.579 -12.115 9.325 1.00 0.00 C ATOM 0 H ILE A 51 5.641 -10.390 11.526 1.00 0.00 H new ATOM 0 HA ILE A 51 3.162 -9.784 10.476 1.00 0.00 H new ATOM 0 HB ILE A 51 3.874 -11.683 12.750 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.177 -12.123 10.740 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.991 -13.390 10.986 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.830 -12.895 12.105 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.468 -11.245 12.663 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.451 -11.620 10.923 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.117 -12.755 8.626 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.517 -12.357 9.295 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.721 -11.071 9.044 1.00 0.00 H new ATOM 754 N LEU A 52 1.735 -8.556 12.101 1.00 0.00 N ATOM 755 CA LEU A 52 0.933 -7.739 13.006 1.00 0.00 C ATOM 756 C LEU A 52 -0.441 -8.362 13.228 1.00 0.00 C ATOM 757 O LEU A 52 -1.295 -8.343 12.341 1.00 0.00 O ATOM 758 CB LEU A 52 0.780 -6.324 12.445 1.00 0.00 C ATOM 759 CG LEU A 52 2.078 -5.597 12.092 1.00 0.00 C ATOM 760 CD1 LEU A 52 1.821 -4.523 11.047 1.00 0.00 C ATOM 761 CD2 LEU A 52 2.707 -4.992 13.339 1.00 0.00 C ATOM 0 H LEU A 52 1.369 -8.616 11.151 1.00 0.00 H new ATOM 0 HA LEU A 52 1.448 -7.689 13.965 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.161 -6.375 11.549 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.237 -5.723 13.174 1.00 0.00 H new ATOM 0 HG LEU A 52 2.776 -6.322 11.673 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.756 -4.016 10.808 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.417 -4.982 10.145 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.106 -3.799 11.437 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.630 -4.479 13.069 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.014 -4.280 13.787 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.928 -5.783 14.055 1.00 0.00 H new ATOM 773 N THR A 53 -0.650 -8.912 14.420 1.00 0.00 N ATOM 774 CA THR A 53 -1.920 -9.539 14.761 1.00 0.00 C ATOM 775 C THR A 53 -2.516 -8.926 16.023 1.00 0.00 C ATOM 776 O THR A 53 -3.731 -8.769 16.135 1.00 0.00 O ATOM 777 CB THR A 53 -1.760 -11.057 14.968 1.00 0.00 C ATOM 778 OG1 THR A 53 -0.766 -11.313 15.967 1.00 0.00 O ATOM 779 CG2 THR A 53 -1.367 -11.742 13.668 1.00 0.00 C ATOM 0 H THR A 53 0.045 -8.936 15.166 1.00 0.00 H new ATOM 0 HA THR A 53 -2.593 -9.363 13.922 1.00 0.00 H new ATOM 0 HB THR A 53 -2.718 -11.459 15.297 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.671 -12.280 16.094 1.00 0.00 H new ATOM 0 HG21 THR A 53 -1.260 -12.813 13.839 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.139 -11.570 12.918 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.420 -11.335 13.314 1.00 0.00 H new ATOM 787 N GLY A 54 -1.652 -8.580 16.972 1.00 0.00 N ATOM 788 CA GLY A 54 -2.112 -7.987 18.214 1.00 0.00 C ATOM 789 C GLY A 54 -2.381 -6.501 18.082 1.00 0.00 C ATOM 790 O GLY A 54 -3.534 -6.072 18.061 1.00 0.00 O ATOM 0 H GLY A 54 -0.641 -8.700 16.903 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.023 -8.491 18.538 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -1.364 -8.150 18.990 1.00 0.00 H new ATOM 794 N GLU A 55 -1.313 -5.713 17.995 1.00 0.00 N ATOM 795 CA GLU A 55 -1.441 -4.266 17.867 1.00 0.00 C ATOM 796 C GLU A 55 -0.579 -3.743 16.722 1.00 0.00 C ATOM 797 O GLU A 55 0.463 -4.316 16.403 1.00 0.00 O ATOM 798 CB GLU A 55 -1.042 -3.579 19.175 1.00 0.00 C ATOM 799 CG GLU A 55 -2.119 -3.636 20.245 1.00 0.00 C ATOM 800 CD GLU A 55 -1.604 -3.232 21.613 1.00 0.00 C ATOM 801 OE1 GLU A 55 -0.655 -3.880 22.104 1.00 0.00 O ATOM 802 OE2 GLU A 55 -2.149 -2.270 22.193 1.00 0.00 O ATOM 0 H GLU A 55 -0.351 -6.052 18.011 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.484 -4.037 17.648 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.135 -4.046 19.559 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.801 -2.536 18.969 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -2.942 -2.980 19.962 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.522 -4.648 20.297 1.00 0.00 H new ATOM 809 N TYR A 56 -1.022 -2.652 16.107 1.00 0.00 N ATOM 810 CA TYR A 56 -0.294 -2.052 14.995 1.00 0.00 C ATOM 811 C TYR A 56 -0.774 -0.628 14.734 1.00 0.00 C ATOM 812 O TYR A 56 -1.836 -0.223 15.208 1.00 0.00 O ATOM 813 CB TYR A 56 -0.462 -2.899 13.732 1.00 0.00 C ATOM 814 CG TYR A 56 -1.705 -2.563 12.940 1.00 0.00 C ATOM 815 CD1 TYR A 56 -2.911 -3.204 13.196 1.00 0.00 C ATOM 816 CD2 TYR A 56 -1.674 -1.605 11.934 1.00 0.00 C ATOM 817 CE1 TYR A 56 -4.049 -2.901 12.474 1.00 0.00 C ATOM 818 CE2 TYR A 56 -2.808 -1.294 11.208 1.00 0.00 C ATOM 819 CZ TYR A 56 -3.992 -1.945 11.481 1.00 0.00 C ATOM 820 OH TYR A 56 -5.123 -1.640 10.759 1.00 0.00 O ATOM 0 H TYR A 56 -1.882 -2.165 16.360 1.00 0.00 H new ATOM 0 HA TYR A 56 0.762 -2.016 15.263 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.412 -2.764 13.095 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -0.493 -3.952 14.012 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -2.959 -3.952 13.973 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -0.748 -1.095 11.716 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -4.978 -3.410 12.686 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -2.767 -0.545 10.431 1.00 0.00 H new ATOM 0 HH TYR A 56 -4.913 -0.946 10.100 1.00 0.00 H new ATOM 830 N ILE A 57 0.016 0.126 13.977 1.00 0.00 N ATOM 831 CA ILE A 57 -0.329 1.504 13.651 1.00 0.00 C ATOM 832 C ILE A 57 -0.162 1.775 12.160 1.00 0.00 C ATOM 833 O ILE A 57 0.863 1.436 11.568 1.00 0.00 O ATOM 834 CB ILE A 57 0.536 2.503 14.442 1.00 0.00 C ATOM 835 CG1 ILE A 57 0.845 1.952 15.836 1.00 0.00 C ATOM 836 CG2 ILE A 57 -0.166 3.849 14.543 1.00 0.00 C ATOM 837 CD1 ILE A 57 2.042 2.603 16.492 1.00 0.00 C ATOM 0 H ILE A 57 0.899 -0.194 13.578 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.374 1.641 13.928 1.00 0.00 H new ATOM 0 HB ILE A 57 1.477 2.645 13.911 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.028 2.090 16.474 1.00 0.00 H new ATOM 0 HG13 ILE A 57 1.020 0.879 15.763 1.00 0.00 H new ATOM 0 HG21 ILE A 57 0.458 4.544 15.105 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -0.339 4.245 13.542 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -1.121 3.724 15.054 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.201 2.163 17.476 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.927 2.443 15.875 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.862 3.673 16.598 1.00 0.00 H new ATOM 849 N SER A 58 -1.175 2.389 11.558 1.00 0.00 N ATOM 850 CA SER A 58 -1.142 2.703 10.135 1.00 0.00 C ATOM 851 C SER A 58 -0.774 4.167 9.910 1.00 0.00 C ATOM 852 O SER A 58 -1.320 5.063 10.555 1.00 0.00 O ATOM 853 CB SER A 58 -2.498 2.402 9.492 1.00 0.00 C ATOM 854 OG SER A 58 -3.476 3.343 9.900 1.00 0.00 O ATOM 0 H SER A 58 -2.029 2.679 12.034 1.00 0.00 H new ATOM 0 HA SER A 58 -0.380 2.078 9.668 1.00 0.00 H new ATOM 0 HB2 SER A 58 -2.401 2.421 8.406 1.00 0.00 H new ATOM 0 HB3 SER A 58 -2.819 1.397 9.766 1.00 0.00 H new ATOM 0 HG SER A 58 -4.333 3.130 9.474 1.00 0.00 H new ATOM 860 N LYS A 59 0.156 4.402 8.991 1.00 0.00 N ATOM 861 CA LYS A 59 0.598 5.756 8.678 1.00 0.00 C ATOM 862 C LYS A 59 0.557 6.008 7.174 1.00 0.00 C ATOM 863 O LYS A 59 1.041 5.195 6.386 1.00 0.00 O ATOM 864 CB LYS A 59 2.015 5.987 9.207 1.00 0.00 C ATOM 865 CG LYS A 59 2.270 7.413 9.662 1.00 0.00 C ATOM 866 CD LYS A 59 2.499 8.343 8.482 1.00 0.00 C ATOM 867 CE LYS A 59 2.461 9.803 8.907 1.00 0.00 C ATOM 868 NZ LYS A 59 1.984 10.688 7.808 1.00 0.00 N ATOM 0 H LYS A 59 0.619 3.672 8.449 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.083 6.455 9.164 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.197 5.310 10.042 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.731 5.730 8.427 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.420 7.767 10.246 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.140 7.436 10.319 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.463 8.121 8.024 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.737 8.164 7.723 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.807 9.913 9.772 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.457 10.116 9.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.972 11.675 8.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.623 10.603 6.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.023 10.405 7.527 1.00 0.00 H new ATOM 882 N ASP A 60 -0.021 7.138 6.783 1.00 0.00 N ATOM 883 CA ASP A 60 -0.121 7.498 5.374 1.00 0.00 C ATOM 884 C ASP A 60 -0.548 6.297 4.536 1.00 0.00 C ATOM 885 O ASP A 60 -0.134 6.151 3.386 1.00 0.00 O ATOM 886 CB ASP A 60 1.216 8.040 4.867 1.00 0.00 C ATOM 887 CG ASP A 60 1.115 8.617 3.469 1.00 0.00 C ATOM 888 OD1 ASP A 60 0.152 9.368 3.205 1.00 0.00 O ATOM 889 OD2 ASP A 60 1.997 8.316 2.637 1.00 0.00 O ATOM 0 H ASP A 60 -0.428 7.821 7.422 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.879 8.275 5.276 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.575 8.810 5.550 1.00 0.00 H new ATOM 0 HB3 ASP A 60 1.955 7.239 4.874 1.00 0.00 H new ATOM 894 N GLY A 61 -1.379 5.439 5.120 1.00 0.00 N ATOM 895 CA GLY A 61 -1.847 4.261 4.413 1.00 0.00 C ATOM 896 C GLY A 61 -0.803 3.163 4.362 1.00 0.00 C ATOM 897 O GLY A 61 -0.680 2.459 3.359 1.00 0.00 O ATOM 0 H GLY A 61 -1.736 5.539 6.070 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.745 3.882 4.900 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -2.128 4.538 3.397 1.00 0.00 H new ATOM 901 N VAL A 62 -0.048 3.015 5.445 1.00 0.00 N ATOM 902 CA VAL A 62 0.991 1.995 5.520 1.00 0.00 C ATOM 903 C VAL A 62 1.054 1.375 6.911 1.00 0.00 C ATOM 904 O VAL A 62 1.139 2.070 7.924 1.00 0.00 O ATOM 905 CB VAL A 62 2.374 2.575 5.166 1.00 0.00 C ATOM 906 CG1 VAL A 62 3.404 1.463 5.042 1.00 0.00 C ATOM 907 CG2 VAL A 62 2.297 3.387 3.882 1.00 0.00 C ATOM 0 H VAL A 62 -0.136 3.589 6.284 1.00 0.00 H new ATOM 0 HA VAL A 62 0.731 1.225 4.794 1.00 0.00 H new ATOM 0 HB VAL A 62 2.688 3.239 5.971 1.00 0.00 H new ATOM 0 HG11 VAL A 62 4.374 1.892 4.792 1.00 0.00 H new ATOM 0 HG12 VAL A 62 3.477 0.928 5.989 1.00 0.00 H new ATOM 0 HG13 VAL A 62 3.100 0.771 4.257 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.282 3.789 3.646 1.00 0.00 H new ATOM 0 HG22 VAL A 62 1.962 2.747 3.066 1.00 0.00 H new ATOM 0 HG23 VAL A 62 1.592 4.208 4.012 1.00 0.00 H new ATOM 917 N PRO A 63 1.011 0.036 6.965 1.00 0.00 N ATOM 918 CA PRO A 63 1.063 -0.708 8.227 1.00 0.00 C ATOM 919 C PRO A 63 2.433 -0.628 8.891 1.00 0.00 C ATOM 920 O PRO A 63 3.459 -0.850 8.249 1.00 0.00 O ATOM 921 CB PRO A 63 0.757 -2.147 7.803 1.00 0.00 C ATOM 922 CG PRO A 63 1.175 -2.218 6.375 1.00 0.00 C ATOM 923 CD PRO A 63 0.909 -0.856 5.797 1.00 0.00 C ATOM 0 HA PRO A 63 0.366 -0.309 8.964 1.00 0.00 H new ATOM 0 HB2 PRO A 63 1.306 -2.865 8.412 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -0.302 -2.377 7.917 1.00 0.00 H new ATOM 0 HG2 PRO A 63 2.230 -2.479 6.290 1.00 0.00 H new ATOM 0 HG3 PRO A 63 0.613 -2.985 5.842 1.00 0.00 H new ATOM 0 HD2 PRO A 63 1.637 -0.596 5.028 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -0.076 -0.801 5.334 1.00 0.00 H new ATOM 931 N TYR A 64 2.442 -0.310 10.181 1.00 0.00 N ATOM 932 CA TYR A 64 3.686 -0.199 10.932 1.00 0.00 C ATOM 933 C TYR A 64 3.515 -0.728 12.352 1.00 0.00 C ATOM 934 O TYR A 64 2.418 -0.699 12.911 1.00 0.00 O ATOM 935 CB TYR A 64 4.154 1.257 10.972 1.00 0.00 C ATOM 936 CG TYR A 64 4.590 1.790 9.626 1.00 0.00 C ATOM 937 CD1 TYR A 64 5.677 1.240 8.957 1.00 0.00 C ATOM 938 CD2 TYR A 64 3.914 2.843 9.021 1.00 0.00 C ATOM 939 CE1 TYR A 64 6.079 1.725 7.728 1.00 0.00 C ATOM 940 CE2 TYR A 64 4.308 3.333 7.791 1.00 0.00 C ATOM 941 CZ TYR A 64 5.391 2.771 7.149 1.00 0.00 C ATOM 942 OH TYR A 64 5.788 3.255 5.923 1.00 0.00 O ATOM 0 H TYR A 64 1.601 -0.125 10.728 1.00 0.00 H new ATOM 0 HA TYR A 64 4.440 -0.803 10.427 1.00 0.00 H new ATOM 0 HB2 TYR A 64 3.345 1.879 11.355 1.00 0.00 H new ATOM 0 HB3 TYR A 64 4.983 1.344 11.674 1.00 0.00 H new ATOM 0 HD1 TYR A 64 6.217 0.419 9.406 1.00 0.00 H new ATOM 0 HD2 TYR A 64 3.066 3.286 9.521 1.00 0.00 H new ATOM 0 HE1 TYR A 64 6.928 1.288 7.223 1.00 0.00 H new ATOM 0 HE2 TYR A 64 3.771 4.151 7.335 1.00 0.00 H new ATOM 0 HH TYR A 64 5.198 3.990 5.655 1.00 0.00 H new ATOM 952 N CYS A 65 4.608 -1.213 12.932 1.00 0.00 N ATOM 953 CA CYS A 65 4.581 -1.750 14.287 1.00 0.00 C ATOM 954 C CYS A 65 4.888 -0.659 15.310 1.00 0.00 C ATOM 955 O CYS A 65 5.250 0.460 14.949 1.00 0.00 O ATOM 956 CB CYS A 65 5.590 -2.892 14.426 1.00 0.00 C ATOM 957 SG CYS A 65 7.323 -2.386 14.186 1.00 0.00 S ATOM 0 H CYS A 65 5.524 -1.245 12.484 1.00 0.00 H new ATOM 0 HA CYS A 65 3.579 -2.134 14.479 1.00 0.00 H new ATOM 0 HB2 CYS A 65 5.486 -3.336 15.416 1.00 0.00 H new ATOM 0 HB3 CYS A 65 5.346 -3.669 13.701 1.00 0.00 H new ATOM 962 N GLU A 66 4.739 -0.996 16.588 1.00 0.00 N ATOM 963 CA GLU A 66 4.999 -0.045 17.663 1.00 0.00 C ATOM 964 C GLU A 66 6.491 0.258 17.772 1.00 0.00 C ATOM 965 O GLU A 66 6.905 1.118 18.548 1.00 0.00 O ATOM 966 CB GLU A 66 4.480 -0.592 18.994 1.00 0.00 C ATOM 967 CG GLU A 66 3.029 -1.042 18.943 1.00 0.00 C ATOM 968 CD GLU A 66 2.328 -0.904 20.280 1.00 0.00 C ATOM 969 OE1 GLU A 66 2.968 -1.177 21.317 1.00 0.00 O ATOM 970 OE2 GLU A 66 1.139 -0.523 20.289 1.00 0.00 O ATOM 0 H GLU A 66 4.440 -1.919 16.904 1.00 0.00 H new ATOM 0 HA GLU A 66 4.474 0.881 17.429 1.00 0.00 H new ATOM 0 HB2 GLU A 66 5.102 -1.434 19.299 1.00 0.00 H new ATOM 0 HB3 GLU A 66 4.587 0.177 19.759 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.496 -0.454 18.195 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.986 -2.082 18.620 1.00 0.00 H new ATOM 977 N SER A 67 7.292 -0.457 16.988 1.00 0.00 N ATOM 978 CA SER A 67 8.738 -0.268 17.000 1.00 0.00 C ATOM 979 C SER A 67 9.154 0.805 15.999 1.00 0.00 C ATOM 980 O SER A 67 9.564 1.901 16.382 1.00 0.00 O ATOM 981 CB SER A 67 9.448 -1.585 16.676 1.00 0.00 C ATOM 982 OG SER A 67 10.726 -1.638 17.285 1.00 0.00 O ATOM 0 H SER A 67 6.965 -1.171 16.338 1.00 0.00 H new ATOM 0 HA SER A 67 9.029 0.058 17.999 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.842 -2.423 17.021 1.00 0.00 H new ATOM 0 HB3 SER A 67 9.552 -1.690 15.596 1.00 0.00 H new ATOM 0 HG SER A 67 11.158 -2.489 17.064 1.00 0.00 H new ATOM 988 N ASP A 68 9.046 0.482 14.715 1.00 0.00 N ATOM 989 CA ASP A 68 9.409 1.418 13.657 1.00 0.00 C ATOM 990 C ASP A 68 8.580 2.696 13.754 1.00 0.00 C ATOM 991 O ASP A 68 9.125 3.794 13.866 1.00 0.00 O ATOM 992 CB ASP A 68 9.214 0.772 12.285 1.00 0.00 C ATOM 993 CG ASP A 68 10.204 -0.347 12.026 1.00 0.00 C ATOM 994 OD1 ASP A 68 11.394 -0.174 12.362 1.00 0.00 O ATOM 995 OD2 ASP A 68 9.789 -1.394 11.487 1.00 0.00 O ATOM 0 H ASP A 68 8.710 -0.421 14.381 1.00 0.00 H new ATOM 0 HA ASP A 68 10.460 1.678 13.781 1.00 0.00 H new ATOM 0 HB2 ASP A 68 8.200 0.380 12.212 1.00 0.00 H new ATOM 0 HB3 ASP A 68 9.318 1.532 11.511 1.00 0.00 H new ATOM 1000 N TYR A 69 7.262 2.544 13.709 1.00 0.00 N ATOM 1001 CA TYR A 69 6.358 3.685 13.787 1.00 0.00 C ATOM 1002 C TYR A 69 6.821 4.674 14.853 1.00 0.00 C ATOM 1003 O TYR A 69 7.064 5.847 14.565 1.00 0.00 O ATOM 1004 CB TYR A 69 4.935 3.215 14.096 1.00 0.00 C ATOM 1005 CG TYR A 69 3.901 4.314 14.004 1.00 0.00 C ATOM 1006 CD1 TYR A 69 3.734 5.227 15.038 1.00 0.00 C ATOM 1007 CD2 TYR A 69 3.092 4.441 12.881 1.00 0.00 C ATOM 1008 CE1 TYR A 69 2.790 6.232 14.958 1.00 0.00 C ATOM 1009 CE2 TYR A 69 2.146 5.444 12.792 1.00 0.00 C ATOM 1010 CZ TYR A 69 1.999 6.337 13.833 1.00 0.00 C ATOM 1011 OH TYR A 69 1.058 7.338 13.749 1.00 0.00 O ATOM 0 H TYR A 69 6.795 1.642 13.619 1.00 0.00 H new ATOM 0 HA TYR A 69 6.365 4.189 12.821 1.00 0.00 H new ATOM 0 HB2 TYR A 69 4.667 2.417 13.404 1.00 0.00 H new ATOM 0 HB3 TYR A 69 4.912 2.789 15.099 1.00 0.00 H new ATOM 0 HD1 TYR A 69 4.353 5.149 15.920 1.00 0.00 H new ATOM 0 HD2 TYR A 69 3.205 3.744 12.064 1.00 0.00 H new ATOM 0 HE1 TYR A 69 2.672 6.932 15.772 1.00 0.00 H new ATOM 0 HE2 TYR A 69 1.525 5.528 11.912 1.00 0.00 H new ATOM 0 HH TYR A 69 0.586 7.273 12.892 1.00 0.00 H new ATOM 1021 N HIS A 70 6.941 4.192 16.086 1.00 0.00 N ATOM 1022 CA HIS A 70 7.377 5.033 17.196 1.00 0.00 C ATOM 1023 C HIS A 70 8.781 5.576 16.948 1.00 0.00 C ATOM 1024 O HIS A 70 9.183 6.577 17.540 1.00 0.00 O ATOM 1025 CB HIS A 70 7.346 4.242 18.504 1.00 0.00 C ATOM 1026 CG HIS A 70 6.034 4.320 19.221 1.00 0.00 C ATOM 1027 ND1 HIS A 70 5.793 5.200 20.256 1.00 0.00 N ATOM 1028 CD2 HIS A 70 4.887 3.624 19.046 1.00 0.00 C ATOM 1029 CE1 HIS A 70 4.554 5.039 20.687 1.00 0.00 C ATOM 1030 NE2 HIS A 70 3.983 4.089 19.969 1.00 0.00 N ATOM 0 H HIS A 70 6.743 3.225 16.342 1.00 0.00 H new ATOM 0 HA HIS A 70 6.690 5.876 17.273 1.00 0.00 H new ATOM 0 HB2 HIS A 70 7.573 3.197 18.292 1.00 0.00 H new ATOM 0 HB3 HIS A 70 8.132 4.612 19.162 1.00 0.00 H new ATOM 0 HD2 HIS A 70 4.715 2.847 18.316 1.00 0.00 H new ATOM 0 HE1 HIS A 70 4.088 5.591 21.490 1.00 0.00 H new ATOM 0 HE2 HIS A 70 3.026 3.755 20.082 1.00 0.00 H new ATOM 1039 N ALA A 71 9.522 4.907 16.070 1.00 0.00 N ATOM 1040 CA ALA A 71 10.880 5.324 15.744 1.00 0.00 C ATOM 1041 C ALA A 71 10.897 6.227 14.515 1.00 0.00 C ATOM 1042 O ALA A 71 11.880 6.921 14.259 1.00 0.00 O ATOM 1043 CB ALA A 71 11.765 4.107 15.519 1.00 0.00 C ATOM 0 H ALA A 71 9.205 4.075 15.572 1.00 0.00 H new ATOM 0 HA ALA A 71 11.271 5.894 16.587 1.00 0.00 H new ATOM 0 HB1 ALA A 71 12.777 4.433 15.276 1.00 0.00 H new ATOM 0 HB2 ALA A 71 11.786 3.500 16.424 1.00 0.00 H new ATOM 0 HB3 ALA A 71 11.367 3.515 14.695 1.00 0.00 H new ATOM 1049 N GLN A 72 9.804 6.212 13.760 1.00 0.00 N ATOM 1050 CA GLN A 72 9.695 7.029 12.558 1.00 0.00 C ATOM 1051 C GLN A 72 8.958 8.332 12.850 1.00 0.00 C ATOM 1052 O GLN A 72 9.525 9.418 12.732 1.00 0.00 O ATOM 1053 CB GLN A 72 8.971 6.257 11.454 1.00 0.00 C ATOM 1054 CG GLN A 72 9.908 5.497 10.528 1.00 0.00 C ATOM 1055 CD GLN A 72 9.170 4.755 9.431 1.00 0.00 C ATOM 1056 OE1 GLN A 72 9.301 5.079 8.251 1.00 0.00 O ATOM 1057 NE2 GLN A 72 8.390 3.752 9.816 1.00 0.00 N ATOM 0 H GLN A 72 8.981 5.643 13.959 1.00 0.00 H new ATOM 0 HA GLN A 72 10.703 7.270 12.221 1.00 0.00 H new ATOM 0 HB2 GLN A 72 8.275 5.553 11.911 1.00 0.00 H new ATOM 0 HB3 GLN A 72 8.377 6.955 10.864 1.00 0.00 H new ATOM 0 HG2 GLN A 72 10.613 6.196 10.078 1.00 0.00 H new ATOM 0 HG3 GLN A 72 10.492 4.786 11.112 1.00 0.00 H new ATOM 0 HE21 GLN A 72 8.311 3.518 10.806 1.00 0.00 H new ATOM 0 HE22 GLN A 72 7.870 3.215 9.122 1.00 0.00 H new ATOM 1066 N PHE A 73 7.690 8.216 13.231 1.00 0.00 N ATOM 1067 CA PHE A 73 6.874 9.384 13.539 1.00 0.00 C ATOM 1068 C PHE A 73 6.586 9.468 15.035 1.00 0.00 C ATOM 1069 O PHE A 73 5.646 10.137 15.461 1.00 0.00 O ATOM 1070 CB PHE A 73 5.560 9.335 12.758 1.00 0.00 C ATOM 1071 CG PHE A 73 5.719 8.844 11.347 1.00 0.00 C ATOM 1072 CD1 PHE A 73 5.882 7.493 11.084 1.00 0.00 C ATOM 1073 CD2 PHE A 73 5.705 9.733 10.284 1.00 0.00 C ATOM 1074 CE1 PHE A 73 6.029 7.039 9.788 1.00 0.00 C ATOM 1075 CE2 PHE A 73 5.852 9.284 8.985 1.00 0.00 C ATOM 1076 CZ PHE A 73 6.013 7.935 8.737 1.00 0.00 C ATOM 0 H PHE A 73 7.205 7.324 13.334 1.00 0.00 H new ATOM 0 HA PHE A 73 7.432 10.273 13.244 1.00 0.00 H new ATOM 0 HB2 PHE A 73 4.859 8.687 13.283 1.00 0.00 H new ATOM 0 HB3 PHE A 73 5.120 10.332 12.740 1.00 0.00 H new ATOM 0 HD1 PHE A 73 5.894 6.787 11.902 1.00 0.00 H new ATOM 0 HD2 PHE A 73 5.578 10.789 10.473 1.00 0.00 H new ATOM 0 HE1 PHE A 73 6.156 5.984 9.596 1.00 0.00 H new ATOM 0 HE2 PHE A 73 5.841 9.987 8.165 1.00 0.00 H new ATOM 0 HZ PHE A 73 6.126 7.581 7.723 1.00 0.00 H new ATOM 1086 N GLY A 74 7.404 8.782 15.829 1.00 0.00 N ATOM 1087 CA GLY A 74 7.221 8.791 17.268 1.00 0.00 C ATOM 1088 C GLY A 74 8.236 9.666 17.977 1.00 0.00 C ATOM 1089 O GLY A 74 7.930 10.279 18.999 1.00 0.00 O ATOM 0 H GLY A 74 8.190 8.221 15.500 1.00 0.00 H new ATOM 0 HA2 GLY A 74 6.216 9.144 17.501 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.297 7.772 17.647 1.00 0.00 H new ATOM 1093 N SER A 75 9.448 9.722 17.433 1.00 0.00 N ATOM 1094 CA SER A 75 10.513 10.524 18.023 1.00 0.00 C ATOM 1095 C SER A 75 10.093 11.987 18.137 1.00 0.00 C ATOM 1096 O SER A 75 9.346 12.496 17.302 1.00 0.00 O ATOM 1097 CB SER A 75 11.788 10.412 17.186 1.00 0.00 C ATOM 1098 OG SER A 75 11.530 10.699 15.822 1.00 0.00 O ATOM 0 H SER A 75 9.716 9.222 16.585 1.00 0.00 H new ATOM 0 HA SER A 75 10.709 10.141 19.025 1.00 0.00 H new ATOM 0 HB2 SER A 75 12.540 11.101 17.570 1.00 0.00 H new ATOM 0 HB3 SER A 75 12.200 9.407 17.278 1.00 0.00 H new ATOM 0 HG SER A 75 12.361 10.622 15.309 1.00 0.00 H new ATOM 1104 N GLY A 76 10.580 12.657 19.176 1.00 0.00 N ATOM 1105 CA GLY A 76 10.245 14.054 19.381 1.00 0.00 C ATOM 1106 C GLY A 76 11.458 14.959 19.298 1.00 0.00 C ATOM 1107 O GLY A 76 12.014 15.190 18.224 1.00 0.00 O ATOM 0 H GLY A 76 11.201 12.257 19.880 1.00 0.00 H new ATOM 0 HA2 GLY A 76 9.514 14.362 18.634 1.00 0.00 H new ATOM 0 HA3 GLY A 76 9.773 14.172 20.357 1.00 0.00 H new ATOM 1111 N PRO A 77 11.885 15.491 20.453 1.00 0.00 N ATOM 1112 CA PRO A 77 13.043 16.386 20.532 1.00 0.00 C ATOM 1113 C PRO A 77 14.357 15.658 20.267 1.00 0.00 C ATOM 1114 O PRO A 77 15.275 16.214 19.663 1.00 0.00 O ATOM 1115 CB PRO A 77 12.997 16.900 21.973 1.00 0.00 C ATOM 1116 CG PRO A 77 12.272 15.841 22.729 1.00 0.00 C ATOM 1117 CD PRO A 77 11.270 15.259 21.771 1.00 0.00 C ATOM 0 HA PRO A 77 13.000 17.176 19.782 1.00 0.00 H new ATOM 0 HB2 PRO A 77 14.000 17.054 22.371 1.00 0.00 H new ATOM 0 HB3 PRO A 77 12.479 17.857 22.036 1.00 0.00 H new ATOM 0 HG2 PRO A 77 12.961 15.075 23.086 1.00 0.00 H new ATOM 0 HG3 PRO A 77 11.777 16.258 23.606 1.00 0.00 H new ATOM 0 HD2 PRO A 77 11.106 14.198 21.957 1.00 0.00 H new ATOM 0 HD3 PRO A 77 10.301 15.751 21.855 1.00 0.00 H new ATOM 1125 N SER A 78 14.440 14.413 20.723 1.00 0.00 N ATOM 1126 CA SER A 78 15.644 13.610 20.538 1.00 0.00 C ATOM 1127 C SER A 78 15.528 12.736 19.293 1.00 0.00 C ATOM 1128 O SER A 78 14.613 11.921 19.177 1.00 0.00 O ATOM 1129 CB SER A 78 15.892 12.735 21.768 1.00 0.00 C ATOM 1130 OG SER A 78 16.554 13.464 22.787 1.00 0.00 O ATOM 0 H SER A 78 13.689 13.938 21.223 1.00 0.00 H new ATOM 0 HA SER A 78 16.487 14.288 20.407 1.00 0.00 H new ATOM 0 HB2 SER A 78 14.943 12.356 22.146 1.00 0.00 H new ATOM 0 HB3 SER A 78 16.492 11.869 21.487 1.00 0.00 H new ATOM 0 HG SER A 78 16.699 12.883 23.563 1.00 0.00 H new ATOM 1136 N SER A 79 16.463 12.912 18.365 1.00 0.00 N ATOM 1137 CA SER A 79 16.465 12.143 17.126 1.00 0.00 C ATOM 1138 C SER A 79 17.296 10.872 17.277 1.00 0.00 C ATOM 1139 O SER A 79 18.096 10.747 18.203 1.00 0.00 O ATOM 1140 CB SER A 79 17.011 12.990 15.976 1.00 0.00 C ATOM 1141 OG SER A 79 16.200 14.130 15.752 1.00 0.00 O ATOM 0 H SER A 79 17.229 13.580 18.448 1.00 0.00 H new ATOM 0 HA SER A 79 15.437 11.859 16.902 1.00 0.00 H new ATOM 0 HB2 SER A 79 18.030 13.304 16.203 1.00 0.00 H new ATOM 0 HB3 SER A 79 17.058 12.389 15.068 1.00 0.00 H new ATOM 0 HG SER A 79 16.572 14.656 15.013 1.00 0.00 H new ATOM 1147 N GLY A 80 17.101 9.932 16.357 1.00 0.00 N ATOM 1148 CA GLY A 80 17.839 8.683 16.405 1.00 0.00 C ATOM 1149 C GLY A 80 19.022 8.673 15.458 1.00 0.00 C ATOM 1150 O GLY A 80 18.973 9.347 14.430 1.00 0.00 O ATOM 0 H GLY A 80 16.446 10.013 15.580 1.00 0.00 H new ATOM 0 HA2 GLY A 80 18.190 8.511 17.422 1.00 0.00 H new ATOM 0 HA3 GLY A 80 17.170 7.859 16.155 1.00 0.00 H new TER 1154 GLY A 80 HETATM 1155 ZN ZN A 201 -0.926 -12.662 0.777 1.00 0.00 ZN HETATM 1156 ZN ZN A 401 8.250 -2.233 12.221 1.00 0.00 ZN