USER MOD reduce.3.24.130724 H: found=0, std=0, add=408, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 406 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 32 HIS HE2 : A 32 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 38 HIS HD1 : A 38 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 35 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 37 GLN : amide:sc= -0.466 X(o=-0.47,f=-0.12) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.132 USER MOD Single : A 3 SER OG : rot -81:sc= -0.71 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 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -110:sc= -1.79 (180deg=-6.47!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -172:sc= 0.66 (180deg=0.545) USER MOD Single : A 23 TYR OH : rot -7:sc= -3.27! USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot -160:sc= -0.0514 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot -81:sc= 0.884 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.979 K(o=-0.98,f=-4.3!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -22.545 33.434 7.402 1.00 0.00 N ATOM 2 CA GLY A 1 -21.334 32.693 7.097 1.00 0.00 C ATOM 3 C GLY A 1 -20.160 33.125 7.953 1.00 0.00 C ATOM 4 O GLY A 1 -19.825 34.308 8.009 1.00 0.00 O ATOM 0 H1 GLY A 1 -23.318 33.102 6.791 1.00 0.00 H new ATOM 0 H2 GLY A 1 -22.802 33.284 8.398 1.00 0.00 H new ATOM 0 H3 GLY A 1 -22.383 34.448 7.236 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -21.516 31.629 7.245 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -21.083 32.830 6.045 1.00 0.00 H new ATOM 8 N SER A 2 -19.533 32.164 8.624 1.00 0.00 N ATOM 9 CA SER A 2 -18.392 32.452 9.486 1.00 0.00 C ATOM 10 C SER A 2 -17.181 32.874 8.660 1.00 0.00 C ATOM 11 O SER A 2 -16.588 33.925 8.902 1.00 0.00 O ATOM 12 CB SER A 2 -18.044 31.226 10.333 1.00 0.00 C ATOM 13 OG SER A 2 -17.716 30.117 9.514 1.00 0.00 O ATOM 0 H SER A 2 -19.796 31.179 8.587 1.00 0.00 H new ATOM 0 HA SER A 2 -18.665 33.275 10.146 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.205 31.459 10.988 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.888 30.972 10.974 1.00 0.00 H new ATOM 0 HG SER A 2 -17.496 29.347 10.079 1.00 0.00 H new ATOM 19 N SER A 3 -16.819 32.047 7.685 1.00 0.00 N ATOM 20 CA SER A 3 -15.676 32.332 6.825 1.00 0.00 C ATOM 21 C SER A 3 -16.128 32.611 5.395 1.00 0.00 C ATOM 22 O SER A 3 -16.536 31.703 4.673 1.00 0.00 O ATOM 23 CB SER A 3 -14.694 31.159 6.842 1.00 0.00 C ATOM 24 OG SER A 3 -13.588 31.408 5.992 1.00 0.00 O ATOM 0 H SER A 3 -17.301 31.174 7.470 1.00 0.00 H new ATOM 0 HA SER A 3 -15.176 33.221 7.209 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.343 30.989 7.860 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.204 30.249 6.524 1.00 0.00 H new ATOM 0 HG SER A 3 -13.838 31.215 5.064 1.00 0.00 H new ATOM 30 N GLY A 4 -16.053 33.876 4.994 1.00 0.00 N ATOM 31 CA GLY A 4 -16.457 34.254 3.652 1.00 0.00 C ATOM 32 C GLY A 4 -15.305 34.220 2.668 1.00 0.00 C ATOM 33 O GLY A 4 -15.328 33.458 1.701 1.00 0.00 O ATOM 0 H GLY A 4 -15.720 34.646 5.574 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.243 33.581 3.310 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.883 35.257 3.673 1.00 0.00 H new ATOM 37 N SER A 5 -14.295 35.048 2.912 1.00 0.00 N ATOM 38 CA SER A 5 -13.130 35.114 2.037 1.00 0.00 C ATOM 39 C SER A 5 -12.615 33.715 1.714 1.00 0.00 C ATOM 40 O SER A 5 -12.581 33.306 0.553 1.00 0.00 O ATOM 41 CB SER A 5 -12.021 35.940 2.689 1.00 0.00 C ATOM 42 OG SER A 5 -12.460 37.261 2.959 1.00 0.00 O ATOM 0 H SER A 5 -14.260 35.683 3.709 1.00 0.00 H new ATOM 0 HA SER A 5 -13.432 35.596 1.107 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.704 35.462 3.616 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.151 35.969 2.033 1.00 0.00 H new ATOM 0 HG SER A 5 -11.733 37.768 3.377 1.00 0.00 H new ATOM 48 N SER A 6 -12.213 32.985 2.749 1.00 0.00 N ATOM 49 CA SER A 6 -11.694 31.633 2.577 1.00 0.00 C ATOM 50 C SER A 6 -12.810 30.670 2.181 1.00 0.00 C ATOM 51 O SER A 6 -13.813 30.542 2.881 1.00 0.00 O ATOM 52 CB SER A 6 -11.024 31.153 3.866 1.00 0.00 C ATOM 53 OG SER A 6 -9.852 31.899 4.140 1.00 0.00 O ATOM 0 H SER A 6 -12.237 33.307 3.716 1.00 0.00 H new ATOM 0 HA SER A 6 -10.954 31.653 1.777 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.721 31.247 4.699 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.773 30.096 3.777 1.00 0.00 H new ATOM 0 HG SER A 6 -9.444 31.574 4.969 1.00 0.00 H new ATOM 59 N GLY A 7 -12.626 29.994 1.050 1.00 0.00 N ATOM 60 CA GLY A 7 -13.623 29.052 0.579 1.00 0.00 C ATOM 61 C GLY A 7 -13.006 27.849 -0.106 1.00 0.00 C ATOM 62 O GLY A 7 -11.977 27.964 -0.771 1.00 0.00 O ATOM 0 H GLY A 7 -11.804 30.083 0.452 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.228 28.716 1.421 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.296 29.556 -0.115 1.00 0.00 H new ATOM 66 N GLY A 8 -13.636 26.689 0.057 1.00 0.00 N ATOM 67 CA GLY A 8 -13.127 25.476 -0.556 1.00 0.00 C ATOM 68 C GLY A 8 -12.577 24.498 0.464 1.00 0.00 C ATOM 69 O GLY A 8 -11.899 24.893 1.412 1.00 0.00 O ATOM 0 H GLY A 8 -14.489 26.568 0.602 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -13.925 24.996 -1.122 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -12.343 25.734 -1.268 1.00 0.00 H new ATOM 73 N THR A 9 -12.872 23.216 0.271 1.00 0.00 N ATOM 74 CA THR A 9 -12.406 22.179 1.182 1.00 0.00 C ATOM 75 C THR A 9 -11.641 21.093 0.434 1.00 0.00 C ATOM 76 O THR A 9 -12.229 20.118 -0.035 1.00 0.00 O ATOM 77 CB THR A 9 -13.578 21.533 1.945 1.00 0.00 C ATOM 78 OG1 THR A 9 -14.303 22.535 2.667 1.00 0.00 O ATOM 79 CG2 THR A 9 -13.075 20.470 2.911 1.00 0.00 C ATOM 0 H THR A 9 -13.432 22.871 -0.509 1.00 0.00 H new ATOM 0 HA THR A 9 -11.740 22.662 1.896 1.00 0.00 H new ATOM 0 HB THR A 9 -14.238 21.059 1.219 1.00 0.00 H new ATOM 0 HG1 THR A 9 -15.048 22.117 3.148 1.00 0.00 H new ATOM 0 HG21 THR A 9 -13.921 20.028 3.438 1.00 0.00 H new ATOM 0 HG22 THR A 9 -12.548 19.694 2.356 1.00 0.00 H new ATOM 0 HG23 THR A 9 -12.396 20.925 3.632 1.00 0.00 H new ATOM 87 N ASP A 10 -10.329 21.266 0.327 1.00 0.00 N ATOM 88 CA ASP A 10 -9.483 20.299 -0.363 1.00 0.00 C ATOM 89 C ASP A 10 -8.101 20.230 0.280 1.00 0.00 C ATOM 90 O ASP A 10 -7.726 21.100 1.064 1.00 0.00 O ATOM 91 CB ASP A 10 -9.354 20.666 -1.842 1.00 0.00 C ATOM 92 CG ASP A 10 -8.597 19.618 -2.634 1.00 0.00 C ATOM 93 OD1 ASP A 10 -8.645 18.432 -2.247 1.00 0.00 O ATOM 94 OD2 ASP A 10 -7.958 19.984 -3.643 1.00 0.00 O ATOM 0 H ASP A 10 -9.827 22.067 0.709 1.00 0.00 H new ATOM 0 HA ASP A 10 -9.952 19.318 -0.280 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -10.348 20.793 -2.270 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -8.843 21.625 -1.932 1.00 0.00 H new ATOM 99 N GLY A 11 -7.349 19.187 -0.058 1.00 0.00 N ATOM 100 CA GLY A 11 -6.017 19.022 0.496 1.00 0.00 C ATOM 101 C GLY A 11 -5.470 17.624 0.285 1.00 0.00 C ATOM 102 O GLY A 11 -5.699 16.730 1.100 1.00 0.00 O ATOM 0 H GLY A 11 -7.638 18.453 -0.705 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -5.344 19.745 0.036 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -6.041 19.242 1.563 1.00 0.00 H new ATOM 106 N THR A 12 -4.746 17.433 -0.813 1.00 0.00 N ATOM 107 CA THR A 12 -4.167 16.134 -1.130 1.00 0.00 C ATOM 108 C THR A 12 -2.738 16.027 -0.612 1.00 0.00 C ATOM 109 O THR A 12 -1.833 16.697 -1.112 1.00 0.00 O ATOM 110 CB THR A 12 -4.172 15.872 -2.648 1.00 0.00 C ATOM 111 OG1 THR A 12 -3.546 14.615 -2.931 1.00 0.00 O ATOM 112 CG2 THR A 12 -3.446 16.984 -3.391 1.00 0.00 C ATOM 0 H THR A 12 -4.547 18.162 -1.498 1.00 0.00 H new ATOM 0 HA THR A 12 -4.786 15.384 -0.637 1.00 0.00 H new ATOM 0 HB THR A 12 -5.208 15.846 -2.986 1.00 0.00 H new ATOM 0 HG1 THR A 12 -3.555 14.456 -3.898 1.00 0.00 H new ATOM 0 HG21 THR A 12 -3.462 16.778 -4.461 1.00 0.00 H new ATOM 0 HG22 THR A 12 -3.942 17.935 -3.197 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.413 17.037 -3.047 1.00 0.00 H new ATOM 120 N LYS A 13 -2.539 15.181 0.393 1.00 0.00 N ATOM 121 CA LYS A 13 -1.218 14.984 0.979 1.00 0.00 C ATOM 122 C LYS A 13 -0.785 13.526 0.866 1.00 0.00 C ATOM 123 O LYS A 13 -1.607 12.610 0.821 1.00 0.00 O ATOM 124 CB LYS A 13 -1.220 15.414 2.447 1.00 0.00 C ATOM 125 CG LYS A 13 -1.980 14.466 3.358 1.00 0.00 C ATOM 126 CD LYS A 13 -2.030 14.985 4.785 1.00 0.00 C ATOM 127 CE LYS A 13 -0.720 14.733 5.516 1.00 0.00 C ATOM 128 NZ LYS A 13 0.313 15.747 5.168 1.00 0.00 N ATOM 0 H LYS A 13 -3.277 14.620 0.819 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.507 15.600 0.427 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.190 15.492 2.795 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -1.659 16.409 2.525 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.995 14.334 2.982 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -1.504 13.485 3.343 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.244 16.054 4.777 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -2.846 14.501 5.321 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -0.896 14.748 6.592 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -0.351 13.738 5.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 1.058 15.301 4.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -0.126 16.518 4.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 0.730 16.131 6.040 1.00 0.00 H new ATOM 142 N PRO A 14 0.537 13.303 0.820 1.00 0.00 N ATOM 143 CA PRO A 14 1.109 11.957 0.714 1.00 0.00 C ATOM 144 C PRO A 14 0.917 11.143 1.989 1.00 0.00 C ATOM 145 O PRO A 14 1.734 11.210 2.907 1.00 0.00 O ATOM 146 CB PRO A 14 2.597 12.223 0.468 1.00 0.00 C ATOM 147 CG PRO A 14 2.845 13.566 1.063 1.00 0.00 C ATOM 148 CD PRO A 14 1.575 14.346 0.868 1.00 0.00 C ATOM 0 HA PRO A 14 0.631 11.371 -0.071 1.00 0.00 H new ATOM 0 HB2 PRO A 14 3.218 11.461 0.938 1.00 0.00 H new ATOM 0 HB3 PRO A 14 2.830 12.212 -0.597 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.094 13.484 2.121 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.685 14.060 0.575 1.00 0.00 H new ATOM 0 HD2 PRO A 14 1.404 15.046 1.686 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.600 14.931 -0.052 1.00 0.00 H new ATOM 156 N GLU A 15 -0.167 10.375 2.038 1.00 0.00 N ATOM 157 CA GLU A 15 -0.465 9.549 3.202 1.00 0.00 C ATOM 158 C GLU A 15 -1.140 8.246 2.785 1.00 0.00 C ATOM 159 O GLU A 15 -1.528 8.076 1.629 1.00 0.00 O ATOM 160 CB GLU A 15 -1.362 10.311 4.179 1.00 0.00 C ATOM 161 CG GLU A 15 -2.818 10.369 3.750 1.00 0.00 C ATOM 162 CD GLU A 15 -3.536 11.594 4.285 1.00 0.00 C ATOM 163 OE1 GLU A 15 -3.678 11.704 5.520 1.00 0.00 O ATOM 164 OE2 GLU A 15 -3.955 12.440 3.468 1.00 0.00 O ATOM 0 H GLU A 15 -0.853 10.308 1.286 1.00 0.00 H new ATOM 0 HA GLU A 15 0.476 9.309 3.696 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.300 9.839 5.160 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.984 11.327 4.289 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.872 10.367 2.661 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.331 9.472 4.096 1.00 0.00 H new ATOM 171 N CYS A 16 -1.275 7.326 3.735 1.00 0.00 N ATOM 172 CA CYS A 16 -1.901 6.037 3.469 1.00 0.00 C ATOM 173 C CYS A 16 -3.058 5.785 4.432 1.00 0.00 C ATOM 174 O CYS A 16 -2.930 5.020 5.388 1.00 0.00 O ATOM 175 CB CYS A 16 -0.871 4.912 3.587 1.00 0.00 C ATOM 176 SG CYS A 16 -1.204 3.483 2.507 1.00 0.00 S ATOM 0 H CYS A 16 -0.959 7.450 4.697 1.00 0.00 H new ATOM 0 HA CYS A 16 -2.294 6.055 2.453 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.115 5.311 3.350 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -0.837 4.572 4.622 1.00 0.00 H new ATOM 181 N THR A 17 -4.189 6.434 4.172 1.00 0.00 N ATOM 182 CA THR A 17 -5.368 6.282 5.015 1.00 0.00 C ATOM 183 C THR A 17 -5.659 4.812 5.294 1.00 0.00 C ATOM 184 O THR A 17 -6.348 4.476 6.258 1.00 0.00 O ATOM 185 CB THR A 17 -6.609 6.925 4.367 1.00 0.00 C ATOM 186 OG1 THR A 17 -7.764 6.686 5.178 1.00 0.00 O ATOM 187 CG2 THR A 17 -6.839 6.369 2.970 1.00 0.00 C ATOM 0 H THR A 17 -4.313 7.070 3.384 1.00 0.00 H new ATOM 0 HA THR A 17 -5.152 6.792 5.954 1.00 0.00 H new ATOM 0 HB THR A 17 -6.437 7.998 4.289 1.00 0.00 H new ATOM 0 HG1 THR A 17 -8.548 7.099 4.760 1.00 0.00 H new ATOM 0 HG21 THR A 17 -7.720 6.838 2.532 1.00 0.00 H new ATOM 0 HG22 THR A 17 -5.969 6.579 2.347 1.00 0.00 H new ATOM 0 HG23 THR A 17 -6.992 5.291 3.028 1.00 0.00 H new ATOM 195 N LEU A 18 -5.129 3.938 4.445 1.00 0.00 N ATOM 196 CA LEU A 18 -5.332 2.502 4.600 1.00 0.00 C ATOM 197 C LEU A 18 -4.457 1.946 5.720 1.00 0.00 C ATOM 198 O LEU A 18 -4.930 1.207 6.583 1.00 0.00 O ATOM 199 CB LEU A 18 -5.021 1.778 3.288 1.00 0.00 C ATOM 200 CG LEU A 18 -4.736 0.280 3.399 1.00 0.00 C ATOM 201 CD1 LEU A 18 -6.032 -0.501 3.552 1.00 0.00 C ATOM 202 CD2 LEU A 18 -3.958 -0.206 2.185 1.00 0.00 C ATOM 0 H LEU A 18 -4.556 4.199 3.643 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.377 2.334 4.862 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.863 1.918 2.611 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.158 2.258 2.827 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.128 0.111 4.287 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.809 -1.565 3.629 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.551 -0.173 4.453 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.667 -0.326 2.684 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.764 -1.274 2.281 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.541 -0.023 1.282 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.011 0.330 2.121 1.00 0.00 H new ATOM 214 N CYS A 19 -3.179 2.310 5.700 1.00 0.00 N ATOM 215 CA CYS A 19 -2.237 1.850 6.714 1.00 0.00 C ATOM 216 C CYS A 19 -1.960 2.948 7.736 1.00 0.00 C ATOM 217 O CYS A 19 -1.101 2.800 8.605 1.00 0.00 O ATOM 218 CB CYS A 19 -0.928 1.405 6.059 1.00 0.00 C ATOM 219 SG CYS A 19 -1.148 0.521 4.482 1.00 0.00 S ATOM 0 H CYS A 19 -2.772 2.922 4.993 1.00 0.00 H new ATOM 0 HA CYS A 19 -2.683 1.001 7.231 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -0.304 2.282 5.888 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -0.388 0.760 6.752 1.00 0.00 H new ATOM 224 N GLY A 20 -2.694 4.051 7.626 1.00 0.00 N ATOM 225 CA GLY A 20 -2.513 5.158 8.547 1.00 0.00 C ATOM 226 C GLY A 20 -1.070 5.618 8.625 1.00 0.00 C ATOM 227 O GLY A 20 -0.649 6.199 9.625 1.00 0.00 O ATOM 0 H GLY A 20 -3.411 4.198 6.915 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -3.141 5.993 8.235 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.850 4.860 9.540 1.00 0.00 H new ATOM 231 N VAL A 21 -0.310 5.355 7.567 1.00 0.00 N ATOM 232 CA VAL A 21 1.094 5.745 7.519 1.00 0.00 C ATOM 233 C VAL A 21 1.297 6.962 6.624 1.00 0.00 C ATOM 234 O VAL A 21 1.390 6.840 5.402 1.00 0.00 O ATOM 235 CB VAL A 21 1.980 4.593 7.009 1.00 0.00 C ATOM 236 CG1 VAL A 21 3.438 5.024 6.953 1.00 0.00 C ATOM 237 CG2 VAL A 21 1.812 3.363 7.888 1.00 0.00 C ATOM 0 H VAL A 21 -0.643 4.874 6.732 1.00 0.00 H new ATOM 0 HA VAL A 21 1.387 5.995 8.539 1.00 0.00 H new ATOM 0 HB VAL A 21 1.664 4.335 5.998 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.048 4.197 6.590 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.541 5.874 6.278 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.771 5.311 7.950 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.445 2.559 7.513 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.100 3.605 8.911 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.770 3.043 7.870 1.00 0.00 H new ATOM 247 N LYS A 22 1.365 8.138 7.239 1.00 0.00 N ATOM 248 CA LYS A 22 1.559 9.379 6.499 1.00 0.00 C ATOM 249 C LYS A 22 3.001 9.509 6.022 1.00 0.00 C ATOM 250 O LYS A 22 3.918 9.686 6.825 1.00 0.00 O ATOM 251 CB LYS A 22 1.190 10.580 7.373 1.00 0.00 C ATOM 252 CG LYS A 22 1.566 11.918 6.759 1.00 0.00 C ATOM 253 CD LYS A 22 1.843 12.963 7.826 1.00 0.00 C ATOM 254 CE LYS A 22 2.542 14.182 7.244 1.00 0.00 C ATOM 255 NZ LYS A 22 3.942 13.877 6.839 1.00 0.00 N ATOM 0 H LYS A 22 1.289 8.257 8.249 1.00 0.00 H new ATOM 0 HA LYS A 22 0.907 9.358 5.626 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.117 10.565 7.562 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.685 10.481 8.339 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.448 11.796 6.130 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.759 12.262 6.112 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.905 13.267 8.291 1.00 0.00 H new ATOM 0 HD3 LYS A 22 2.461 12.528 8.611 1.00 0.00 H new ATOM 0 HE2 LYS A 22 1.984 14.542 6.380 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.544 14.986 7.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 4.427 14.758 6.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 4.444 13.430 7.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.935 13.229 6.026 1.00 0.00 H new ATOM 269 N TYR A 23 3.196 9.420 4.711 1.00 0.00 N ATOM 270 CA TYR A 23 4.528 9.527 4.127 1.00 0.00 C ATOM 271 C TYR A 23 5.127 10.906 4.384 1.00 0.00 C ATOM 272 O TYR A 23 4.430 11.829 4.805 1.00 0.00 O ATOM 273 CB TYR A 23 4.471 9.256 2.622 1.00 0.00 C ATOM 274 CG TYR A 23 3.380 8.288 2.222 1.00 0.00 C ATOM 275 CD1 TYR A 23 3.271 7.043 2.831 1.00 0.00 C ATOM 276 CD2 TYR A 23 2.459 8.618 1.236 1.00 0.00 C ATOM 277 CE1 TYR A 23 2.277 6.156 2.468 1.00 0.00 C ATOM 278 CE2 TYR A 23 1.461 7.737 0.868 1.00 0.00 C ATOM 279 CZ TYR A 23 1.374 6.507 1.486 1.00 0.00 C ATOM 280 OH TYR A 23 0.382 5.626 1.122 1.00 0.00 O ATOM 0 H TYR A 23 2.449 9.274 4.032 1.00 0.00 H new ATOM 0 HA TYR A 23 5.165 8.780 4.601 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.319 10.199 2.097 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.433 8.861 2.296 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.976 6.765 3.601 1.00 0.00 H new ATOM 0 HD2 TYR A 23 2.524 9.580 0.749 1.00 0.00 H new ATOM 0 HE1 TYR A 23 2.207 5.192 2.950 1.00 0.00 H new ATOM 0 HE2 TYR A 23 0.752 8.010 0.100 1.00 0.00 H new ATOM 0 HH TYR A 23 0.527 4.767 1.570 1.00 0.00 H new ATOM 290 N SER A 24 6.424 11.038 4.127 1.00 0.00 N ATOM 291 CA SER A 24 7.120 12.303 4.333 1.00 0.00 C ATOM 292 C SER A 24 7.324 13.032 3.009 1.00 0.00 C ATOM 293 O SER A 24 7.284 12.424 1.940 1.00 0.00 O ATOM 294 CB SER A 24 8.471 12.062 5.009 1.00 0.00 C ATOM 295 OG SER A 24 8.339 12.049 6.420 1.00 0.00 O ATOM 0 H SER A 24 7.015 10.284 3.776 1.00 0.00 H new ATOM 0 HA SER A 24 6.504 12.927 4.981 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.887 11.113 4.671 1.00 0.00 H new ATOM 0 HB3 SER A 24 9.174 12.841 4.713 1.00 0.00 H new ATOM 0 HG SER A 24 9.215 11.892 6.829 1.00 0.00 H new ATOM 301 N ALA A 25 7.544 14.341 3.089 1.00 0.00 N ATOM 302 CA ALA A 25 7.756 15.154 1.898 1.00 0.00 C ATOM 303 C ALA A 25 8.588 14.405 0.863 1.00 0.00 C ATOM 304 O ALA A 25 8.428 14.608 -0.341 1.00 0.00 O ATOM 305 CB ALA A 25 8.430 16.467 2.269 1.00 0.00 C ATOM 0 H ALA A 25 7.580 14.860 3.966 1.00 0.00 H new ATOM 0 HA ALA A 25 6.783 15.369 1.457 1.00 0.00 H new ATOM 0 HB1 ALA A 25 8.582 17.064 1.370 1.00 0.00 H new ATOM 0 HB2 ALA A 25 7.798 17.016 2.967 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.393 16.262 2.736 1.00 0.00 H new ATOM 311 N ARG A 26 9.477 13.539 1.339 1.00 0.00 N ATOM 312 CA ARG A 26 10.335 12.761 0.454 1.00 0.00 C ATOM 313 C ARG A 26 9.627 11.493 -0.014 1.00 0.00 C ATOM 314 O ARG A 26 9.271 11.363 -1.186 1.00 0.00 O ATOM 315 CB ARG A 26 11.640 12.397 1.164 1.00 0.00 C ATOM 316 CG ARG A 26 12.742 11.945 0.220 1.00 0.00 C ATOM 317 CD ARG A 26 14.069 11.789 0.947 1.00 0.00 C ATOM 318 NE ARG A 26 15.192 11.684 0.019 1.00 0.00 N ATOM 319 CZ ARG A 26 16.460 11.596 0.407 1.00 0.00 C ATOM 320 NH1 ARG A 26 16.763 11.599 1.697 1.00 0.00 N ATOM 321 NH2 ARG A 26 17.426 11.504 -0.498 1.00 0.00 N ATOM 0 H ARG A 26 9.622 13.359 2.332 1.00 0.00 H new ATOM 0 HA ARG A 26 10.563 13.372 -0.419 1.00 0.00 H new ATOM 0 HB2 ARG A 26 11.989 13.261 1.729 1.00 0.00 H new ATOM 0 HB3 ARG A 26 11.442 11.603 1.885 1.00 0.00 H new ATOM 0 HG2 ARG A 26 12.463 10.996 -0.239 1.00 0.00 H new ATOM 0 HG3 ARG A 26 12.851 12.669 -0.587 1.00 0.00 H new ATOM 0 HD2 ARG A 26 14.223 12.642 1.608 1.00 0.00 H new ATOM 0 HD3 ARG A 26 14.035 10.900 1.577 1.00 0.00 H new ATOM 0 HE ARG A 26 14.992 11.678 -0.981 1.00 0.00 H new ATOM 0 HH11 ARG A 26 16.022 11.669 2.395 1.00 0.00 H new ATOM 0 HH12 ARG A 26 17.737 11.531 1.992 1.00 0.00 H new ATOM 0 HH21 ARG A 26 17.195 11.501 -1.492 1.00 0.00 H new ATOM 0 HH22 ARG A 26 18.399 11.436 -0.200 1.00 0.00 H new ATOM 335 N LEU A 27 9.426 10.559 0.910 1.00 0.00 N ATOM 336 CA LEU A 27 8.761 9.300 0.593 1.00 0.00 C ATOM 337 C LEU A 27 7.635 9.517 -0.414 1.00 0.00 C ATOM 338 O LEU A 27 7.080 10.611 -0.513 1.00 0.00 O ATOM 339 CB LEU A 27 8.204 8.660 1.866 1.00 0.00 C ATOM 340 CG LEU A 27 7.651 7.242 1.718 1.00 0.00 C ATOM 341 CD1 LEU A 27 8.723 6.303 1.189 1.00 0.00 C ATOM 342 CD2 LEU A 27 7.107 6.740 3.048 1.00 0.00 C ATOM 0 H LEU A 27 9.714 10.650 1.884 1.00 0.00 H new ATOM 0 HA LEU A 27 9.498 8.631 0.149 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.995 8.644 2.616 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.410 9.299 2.253 1.00 0.00 H new ATOM 0 HG LEU A 27 6.832 7.265 0.999 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.311 5.299 1.090 1.00 0.00 H new ATOM 0 HD12 LEU A 27 9.064 6.652 0.215 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.564 6.283 1.882 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.718 5.730 2.924 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.907 6.732 3.789 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.306 7.398 3.385 1.00 0.00 H new ATOM 354 N SER A 28 7.303 8.467 -1.158 1.00 0.00 N ATOM 355 CA SER A 28 6.245 8.543 -2.158 1.00 0.00 C ATOM 356 C SER A 28 5.286 7.364 -2.025 1.00 0.00 C ATOM 357 O SER A 28 5.683 6.269 -1.624 1.00 0.00 O ATOM 358 CB SER A 28 6.845 8.571 -3.565 1.00 0.00 C ATOM 359 OG SER A 28 7.814 9.598 -3.686 1.00 0.00 O ATOM 0 H SER A 28 7.752 7.554 -1.087 1.00 0.00 H new ATOM 0 HA SER A 28 5.686 9.464 -1.991 1.00 0.00 H new ATOM 0 HB2 SER A 28 7.302 7.607 -3.788 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.053 8.725 -4.298 1.00 0.00 H new ATOM 0 HG SER A 28 8.184 9.594 -4.594 1.00 0.00 H new ATOM 365 N ILE A 29 4.023 7.596 -2.365 1.00 0.00 N ATOM 366 CA ILE A 29 3.007 6.553 -2.286 1.00 0.00 C ATOM 367 C ILE A 29 3.546 5.220 -2.794 1.00 0.00 C ATOM 368 O ILE A 29 3.200 4.160 -2.272 1.00 0.00 O ATOM 369 CB ILE A 29 1.751 6.928 -3.094 1.00 0.00 C ATOM 370 CG1 ILE A 29 0.727 5.792 -3.043 1.00 0.00 C ATOM 371 CG2 ILE A 29 2.124 7.247 -4.534 1.00 0.00 C ATOM 372 CD1 ILE A 29 -0.084 5.767 -1.766 1.00 0.00 C ATOM 0 H ILE A 29 3.678 8.497 -2.698 1.00 0.00 H new ATOM 0 HA ILE A 29 2.737 6.455 -1.235 1.00 0.00 H new ATOM 0 HB ILE A 29 1.303 7.816 -2.649 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.050 5.885 -3.892 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.247 4.840 -3.153 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.226 7.510 -5.093 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.821 8.085 -4.552 1.00 0.00 H new ATOM 0 HG23 ILE A 29 2.593 6.375 -4.990 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -0.789 4.937 -1.799 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.584 5.642 -0.913 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.632 6.704 -1.664 1.00 0.00 H new ATOM 384 N ARG A 30 4.397 5.282 -3.813 1.00 0.00 N ATOM 385 CA ARG A 30 4.985 4.080 -4.392 1.00 0.00 C ATOM 386 C ARG A 30 5.947 3.419 -3.410 1.00 0.00 C ATOM 387 O ARG A 30 5.754 2.269 -3.014 1.00 0.00 O ATOM 388 CB ARG A 30 5.718 4.419 -5.691 1.00 0.00 C ATOM 389 CG ARG A 30 4.839 4.329 -6.928 1.00 0.00 C ATOM 390 CD ARG A 30 5.485 5.014 -8.122 1.00 0.00 C ATOM 391 NE ARG A 30 4.733 4.791 -9.353 1.00 0.00 N ATOM 392 CZ ARG A 30 4.724 3.637 -10.011 1.00 0.00 C ATOM 393 NH1 ARG A 30 5.424 2.606 -9.557 1.00 0.00 N ATOM 394 NH2 ARG A 30 4.015 3.512 -11.125 1.00 0.00 N ATOM 0 H ARG A 30 4.695 6.152 -4.255 1.00 0.00 H new ATOM 0 HA ARG A 30 4.178 3.380 -4.611 1.00 0.00 H new ATOM 0 HB2 ARG A 30 6.124 5.428 -5.617 1.00 0.00 H new ATOM 0 HB3 ARG A 30 6.565 3.743 -5.807 1.00 0.00 H new ATOM 0 HG2 ARG A 30 4.650 3.282 -7.166 1.00 0.00 H new ATOM 0 HG3 ARG A 30 3.872 4.789 -6.723 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.557 6.085 -7.930 1.00 0.00 H new ATOM 0 HD3 ARG A 30 6.502 4.643 -8.246 1.00 0.00 H new ATOM 0 HE ARG A 30 4.184 5.564 -9.729 1.00 0.00 H new ATOM 0 HH11 ARG A 30 5.971 2.698 -8.701 1.00 0.00 H new ATOM 0 HH12 ARG A 30 5.416 1.721 -10.064 1.00 0.00 H new ATOM 0 HH21 ARG A 30 3.476 4.303 -11.478 1.00 0.00 H new ATOM 0 HH22 ARG A 30 4.009 2.625 -11.629 1.00 0.00 H new ATOM 408 N ASP A 31 6.984 4.153 -3.021 1.00 0.00 N ATOM 409 CA ASP A 31 7.977 3.639 -2.085 1.00 0.00 C ATOM 410 C ASP A 31 7.303 2.940 -0.908 1.00 0.00 C ATOM 411 O ASP A 31 7.823 1.959 -0.374 1.00 0.00 O ATOM 412 CB ASP A 31 8.868 4.774 -1.578 1.00 0.00 C ATOM 413 CG ASP A 31 9.867 5.236 -2.621 1.00 0.00 C ATOM 414 OD1 ASP A 31 10.728 4.423 -3.018 1.00 0.00 O ATOM 415 OD2 ASP A 31 9.786 6.409 -3.041 1.00 0.00 O ATOM 0 H ASP A 31 7.159 5.106 -3.340 1.00 0.00 H new ATOM 0 HA ASP A 31 8.594 2.911 -2.612 1.00 0.00 H new ATOM 0 HB2 ASP A 31 8.244 5.616 -1.279 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.403 4.442 -0.688 1.00 0.00 H new ATOM 420 N HIS A 32 6.144 3.453 -0.506 1.00 0.00 N ATOM 421 CA HIS A 32 5.400 2.878 0.609 1.00 0.00 C ATOM 422 C HIS A 32 4.790 1.535 0.220 1.00 0.00 C ATOM 423 O HIS A 32 5.218 0.485 0.701 1.00 0.00 O ATOM 424 CB HIS A 32 4.300 3.838 1.064 1.00 0.00 C ATOM 425 CG HIS A 32 3.435 3.284 2.154 1.00 0.00 C ATOM 426 ND1 HIS A 32 3.897 3.035 3.429 1.00 0.00 N ATOM 427 CD2 HIS A 32 2.128 2.933 2.153 1.00 0.00 C ATOM 428 CE1 HIS A 32 2.912 2.553 4.165 1.00 0.00 C ATOM 429 NE2 HIS A 32 1.827 2.481 3.415 1.00 0.00 N ATOM 0 H HIS A 32 5.700 4.265 -0.935 1.00 0.00 H new ATOM 0 HA HIS A 32 6.095 2.716 1.433 1.00 0.00 H new ATOM 0 HB2 HIS A 32 4.758 4.764 1.410 1.00 0.00 H new ATOM 0 HB3 HIS A 32 3.674 4.092 0.209 1.00 0.00 H new ATOM 0 HD1 HIS A 32 4.850 3.198 3.753 1.00 0.00 H new ATOM 0 HD2 HIS A 32 1.448 2.996 1.316 1.00 0.00 H new ATOM 0 HE1 HIS A 32 2.982 2.266 5.204 1.00 0.00 H new ATOM 437 N ILE A 33 3.788 1.576 -0.652 1.00 0.00 N ATOM 438 CA ILE A 33 3.120 0.362 -1.105 1.00 0.00 C ATOM 439 C ILE A 33 4.131 -0.726 -1.449 1.00 0.00 C ATOM 440 O ILE A 33 3.821 -1.916 -1.394 1.00 0.00 O ATOM 441 CB ILE A 33 2.234 0.633 -2.336 1.00 0.00 C ATOM 442 CG1 ILE A 33 3.077 1.189 -3.485 1.00 0.00 C ATOM 443 CG2 ILE A 33 1.113 1.597 -1.979 1.00 0.00 C ATOM 444 CD1 ILE A 33 2.317 1.312 -4.787 1.00 0.00 C ATOM 0 H ILE A 33 3.421 2.436 -1.059 1.00 0.00 H new ATOM 0 HA ILE A 33 2.491 0.022 -0.283 1.00 0.00 H new ATOM 0 HB ILE A 33 1.788 -0.308 -2.660 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.459 2.170 -3.203 1.00 0.00 H new ATOM 0 HG13 ILE A 33 3.941 0.542 -3.638 1.00 0.00 H new ATOM 0 HG21 ILE A 33 0.496 1.779 -2.859 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.500 1.165 -1.188 1.00 0.00 H new ATOM 0 HG23 ILE A 33 1.539 2.539 -1.634 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.977 1.713 -5.557 1.00 0.00 H new ATOM 0 HD12 ILE A 33 1.957 0.329 -5.093 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.469 1.983 -4.651 1.00 0.00 H new ATOM 456 N PHE A 34 5.342 -0.310 -1.803 1.00 0.00 N ATOM 457 CA PHE A 34 6.401 -1.249 -2.156 1.00 0.00 C ATOM 458 C PHE A 34 7.174 -1.687 -0.916 1.00 0.00 C ATOM 459 O PHE A 34 8.332 -2.097 -1.006 1.00 0.00 O ATOM 460 CB PHE A 34 7.356 -0.616 -3.169 1.00 0.00 C ATOM 461 CG PHE A 34 6.956 -0.851 -4.598 1.00 0.00 C ATOM 462 CD1 PHE A 34 6.076 0.007 -5.235 1.00 0.00 C ATOM 463 CD2 PHE A 34 7.461 -1.932 -5.303 1.00 0.00 C ATOM 464 CE1 PHE A 34 5.706 -0.206 -6.550 1.00 0.00 C ATOM 465 CE2 PHE A 34 7.095 -2.151 -6.618 1.00 0.00 C ATOM 466 CZ PHE A 34 6.216 -1.287 -7.242 1.00 0.00 C ATOM 0 H PHE A 34 5.615 0.672 -1.853 1.00 0.00 H new ATOM 0 HA PHE A 34 5.938 -2.128 -2.604 1.00 0.00 H new ATOM 0 HB2 PHE A 34 7.407 0.457 -2.986 1.00 0.00 H new ATOM 0 HB3 PHE A 34 8.358 -1.015 -3.010 1.00 0.00 H new ATOM 0 HD1 PHE A 34 5.673 0.853 -4.698 1.00 0.00 H new ATOM 0 HD2 PHE A 34 8.148 -2.611 -4.820 1.00 0.00 H new ATOM 0 HE1 PHE A 34 5.019 0.472 -7.035 1.00 0.00 H new ATOM 0 HE2 PHE A 34 7.496 -2.997 -7.157 1.00 0.00 H new ATOM 0 HZ PHE A 34 5.928 -1.457 -8.269 1.00 0.00 H new ATOM 476 N SER A 35 6.526 -1.597 0.241 1.00 0.00 N ATOM 477 CA SER A 35 7.154 -1.980 1.501 1.00 0.00 C ATOM 478 C SER A 35 6.275 -2.962 2.269 1.00 0.00 C ATOM 479 O SER A 35 5.047 -2.909 2.189 1.00 0.00 O ATOM 480 CB SER A 35 7.424 -0.741 2.357 1.00 0.00 C ATOM 481 OG SER A 35 8.480 -0.975 3.274 1.00 0.00 O ATOM 0 H SER A 35 5.567 -1.262 0.332 1.00 0.00 H new ATOM 0 HA SER A 35 8.101 -2.469 1.274 1.00 0.00 H new ATOM 0 HB2 SER A 35 7.677 0.102 1.713 1.00 0.00 H new ATOM 0 HB3 SER A 35 6.520 -0.467 2.901 1.00 0.00 H new ATOM 0 HG SER A 35 8.634 -0.168 3.808 1.00 0.00 H new ATOM 487 N LYS A 36 6.912 -3.858 3.015 1.00 0.00 N ATOM 488 CA LYS A 36 6.191 -4.853 3.800 1.00 0.00 C ATOM 489 C LYS A 36 5.132 -4.191 4.675 1.00 0.00 C ATOM 490 O LYS A 36 3.962 -4.572 4.644 1.00 0.00 O ATOM 491 CB LYS A 36 7.165 -5.648 4.672 1.00 0.00 C ATOM 492 CG LYS A 36 6.519 -6.819 5.393 1.00 0.00 C ATOM 493 CD LYS A 36 5.889 -6.386 6.706 1.00 0.00 C ATOM 494 CE LYS A 36 5.306 -7.571 7.461 1.00 0.00 C ATOM 495 NZ LYS A 36 6.304 -8.192 8.375 1.00 0.00 N ATOM 0 H LYS A 36 7.927 -3.916 3.093 1.00 0.00 H new ATOM 0 HA LYS A 36 5.693 -5.534 3.110 1.00 0.00 H new ATOM 0 HB2 LYS A 36 7.978 -6.020 4.048 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.609 -4.979 5.409 1.00 0.00 H new ATOM 0 HG2 LYS A 36 5.758 -7.266 4.753 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.268 -7.588 5.584 1.00 0.00 H new ATOM 0 HD2 LYS A 36 6.638 -5.892 7.325 1.00 0.00 H new ATOM 0 HD3 LYS A 36 5.104 -5.655 6.511 1.00 0.00 H new ATOM 0 HE2 LYS A 36 4.440 -7.244 8.037 1.00 0.00 H new ATOM 0 HE3 LYS A 36 4.952 -8.317 6.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 5.868 -8.996 8.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 7.119 -8.527 7.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 6.623 -7.488 9.071 1.00 0.00 H new ATOM 509 N GLN A 37 5.550 -3.198 5.454 1.00 0.00 N ATOM 510 CA GLN A 37 4.636 -2.484 6.337 1.00 0.00 C ATOM 511 C GLN A 37 3.269 -2.312 5.682 1.00 0.00 C ATOM 512 O GLN A 37 2.234 -2.521 6.317 1.00 0.00 O ATOM 513 CB GLN A 37 5.213 -1.116 6.705 1.00 0.00 C ATOM 514 CG GLN A 37 5.445 -0.211 5.505 1.00 0.00 C ATOM 515 CD GLN A 37 5.935 1.168 5.901 1.00 0.00 C ATOM 516 OE1 GLN A 37 7.025 1.587 5.513 1.00 0.00 O ATOM 517 NE2 GLN A 37 5.128 1.883 6.678 1.00 0.00 N ATOM 0 H GLN A 37 6.515 -2.870 5.491 1.00 0.00 H new ATOM 0 HA GLN A 37 4.512 -3.075 7.245 1.00 0.00 H new ATOM 0 HB2 GLN A 37 4.534 -0.619 7.398 1.00 0.00 H new ATOM 0 HB3 GLN A 37 6.157 -1.259 7.230 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.174 -0.675 4.840 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.517 -0.115 4.942 1.00 0.00 H new ATOM 0 HE21 GLN A 37 4.233 1.496 6.976 1.00 0.00 H new ATOM 0 HE22 GLN A 37 5.404 2.819 6.976 1.00 0.00 H new ATOM 526 N HIS A 38 3.272 -1.932 4.409 1.00 0.00 N ATOM 527 CA HIS A 38 2.031 -1.732 3.668 1.00 0.00 C ATOM 528 C HIS A 38 1.423 -3.070 3.257 1.00 0.00 C ATOM 529 O HIS A 38 0.226 -3.299 3.435 1.00 0.00 O ATOM 530 CB HIS A 38 2.285 -0.872 2.429 1.00 0.00 C ATOM 531 CG HIS A 38 1.124 -0.828 1.483 1.00 0.00 C ATOM 532 ND1 HIS A 38 0.239 0.228 1.428 1.00 0.00 N ATOM 533 CD2 HIS A 38 0.708 -1.716 0.551 1.00 0.00 C ATOM 534 CE1 HIS A 38 -0.674 -0.014 0.503 1.00 0.00 C ATOM 535 NE2 HIS A 38 -0.411 -1.187 -0.044 1.00 0.00 N ATOM 0 H HIS A 38 4.119 -1.756 3.869 1.00 0.00 H new ATOM 0 HA HIS A 38 1.326 -1.217 4.320 1.00 0.00 H new ATOM 0 HB2 HIS A 38 2.525 0.143 2.744 1.00 0.00 H new ATOM 0 HB3 HIS A 38 3.158 -1.257 1.902 1.00 0.00 H new ATOM 0 HD2 HIS A 38 1.170 -2.664 0.318 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -1.495 0.637 0.240 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -0.951 -1.629 -0.788 1.00 0.00 H new ATOM 543 N ILE A 39 2.255 -3.948 2.706 1.00 0.00 N ATOM 544 CA ILE A 39 1.798 -5.262 2.271 1.00 0.00 C ATOM 545 C ILE A 39 0.852 -5.883 3.293 1.00 0.00 C ATOM 546 O ILE A 39 -0.313 -6.146 2.997 1.00 0.00 O ATOM 547 CB ILE A 39 2.982 -6.220 2.036 1.00 0.00 C ATOM 548 CG1 ILE A 39 3.891 -5.679 0.931 1.00 0.00 C ATOM 549 CG2 ILE A 39 2.476 -7.610 1.680 1.00 0.00 C ATOM 550 CD1 ILE A 39 3.153 -5.329 -0.342 1.00 0.00 C ATOM 0 H ILE A 39 3.248 -3.773 2.551 1.00 0.00 H new ATOM 0 HA ILE A 39 1.266 -5.115 1.331 1.00 0.00 H new ATOM 0 HB ILE A 39 3.562 -6.291 2.956 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.407 -4.792 1.298 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.656 -6.422 0.705 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.324 -8.275 1.517 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.865 -7.995 2.496 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.876 -7.557 0.771 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.860 -4.952 -1.081 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.660 -6.219 -0.733 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.406 -4.563 -0.131 1.00 0.00 H new ATOM 562 N SER A 40 1.362 -6.112 4.500 1.00 0.00 N ATOM 563 CA SER A 40 0.563 -6.703 5.567 1.00 0.00 C ATOM 564 C SER A 40 -0.835 -6.094 5.600 1.00 0.00 C ATOM 565 O SER A 40 -1.838 -6.808 5.572 1.00 0.00 O ATOM 566 CB SER A 40 1.251 -6.503 6.918 1.00 0.00 C ATOM 567 OG SER A 40 2.108 -7.591 7.220 1.00 0.00 O ATOM 0 H SER A 40 2.324 -5.897 4.763 1.00 0.00 H new ATOM 0 HA SER A 40 0.470 -7.771 5.369 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.825 -5.577 6.904 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.499 -6.400 7.701 1.00 0.00 H new ATOM 0 HG SER A 40 2.284 -7.611 8.184 1.00 0.00 H new ATOM 573 N LYS A 41 -0.895 -4.768 5.661 1.00 0.00 N ATOM 574 CA LYS A 41 -2.168 -4.060 5.697 1.00 0.00 C ATOM 575 C LYS A 41 -3.065 -4.494 4.542 1.00 0.00 C ATOM 576 O LYS A 41 -4.260 -4.728 4.725 1.00 0.00 O ATOM 577 CB LYS A 41 -1.937 -2.548 5.636 1.00 0.00 C ATOM 578 CG LYS A 41 -3.003 -1.740 6.356 1.00 0.00 C ATOM 579 CD LYS A 41 -2.725 -1.654 7.847 1.00 0.00 C ATOM 580 CE LYS A 41 -3.996 -1.377 8.636 1.00 0.00 C ATOM 581 NZ LYS A 41 -3.799 -1.586 10.097 1.00 0.00 N ATOM 0 H LYS A 41 -0.075 -4.162 5.687 1.00 0.00 H new ATOM 0 HA LYS A 41 -2.666 -4.308 6.634 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.964 -2.320 6.071 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.900 -2.236 4.592 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -3.046 -0.736 5.935 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -3.979 -2.197 6.193 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -2.279 -2.588 8.189 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -1.998 -0.865 8.038 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -4.319 -0.352 8.456 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -4.794 -2.029 8.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -4.688 -1.387 10.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -3.516 -2.571 10.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -3.056 -0.946 10.442 1.00 0.00 H new ATOM 595 N VAL A 42 -2.481 -4.601 3.353 1.00 0.00 N ATOM 596 CA VAL A 42 -3.227 -5.009 2.169 1.00 0.00 C ATOM 597 C VAL A 42 -3.782 -6.420 2.329 1.00 0.00 C ATOM 598 O VAL A 42 -4.818 -6.759 1.756 1.00 0.00 O ATOM 599 CB VAL A 42 -2.348 -4.956 0.905 1.00 0.00 C ATOM 600 CG1 VAL A 42 -3.154 -5.346 -0.324 1.00 0.00 C ATOM 601 CG2 VAL A 42 -1.741 -3.571 0.737 1.00 0.00 C ATOM 0 H VAL A 42 -1.493 -4.411 3.184 1.00 0.00 H new ATOM 0 HA VAL A 42 -4.053 -4.306 2.058 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.535 -5.673 1.019 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -2.516 -5.302 -1.207 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -3.536 -6.360 -0.202 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.989 -4.656 -0.446 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.123 -3.551 -0.161 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.538 -2.833 0.645 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.126 -3.335 1.606 1.00 0.00 H new ATOM 611 N ARG A 43 -3.087 -7.238 3.112 1.00 0.00 N ATOM 612 CA ARG A 43 -3.511 -8.614 3.348 1.00 0.00 C ATOM 613 C ARG A 43 -4.491 -8.689 4.514 1.00 0.00 C ATOM 614 O ARG A 43 -5.377 -9.541 4.538 1.00 0.00 O ATOM 615 CB ARG A 43 -2.297 -9.502 3.629 1.00 0.00 C ATOM 616 CG ARG A 43 -1.467 -9.808 2.393 1.00 0.00 C ATOM 617 CD ARG A 43 -0.483 -10.938 2.650 1.00 0.00 C ATOM 618 NE ARG A 43 -1.159 -12.184 3.001 1.00 0.00 N ATOM 619 CZ ARG A 43 -0.618 -13.386 2.835 1.00 0.00 C ATOM 620 NH1 ARG A 43 0.600 -13.504 2.325 1.00 0.00 N ATOM 621 NH2 ARG A 43 -1.296 -14.473 3.179 1.00 0.00 N ATOM 0 H ARG A 43 -2.228 -6.973 3.594 1.00 0.00 H new ATOM 0 HA ARG A 43 -4.015 -8.972 2.450 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.664 -9.013 4.370 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.637 -10.439 4.069 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.126 -10.078 1.568 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -0.924 -8.914 2.087 1.00 0.00 H new ATOM 0 HD2 ARG A 43 0.128 -11.095 1.761 1.00 0.00 H new ATOM 0 HD3 ARG A 43 0.193 -10.653 3.456 1.00 0.00 H new ATOM 0 HE ARG A 43 -2.098 -12.128 3.395 1.00 0.00 H new ATOM 0 HH11 ARG A 43 1.124 -12.671 2.059 1.00 0.00 H new ATOM 0 HH12 ARG A 43 1.013 -14.428 2.199 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -2.234 -14.386 3.571 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -0.880 -15.395 3.051 1.00 0.00 H new ATOM 635 N GLU A 44 -4.323 -7.790 5.480 1.00 0.00 N ATOM 636 CA GLU A 44 -5.193 -7.757 6.650 1.00 0.00 C ATOM 637 C GLU A 44 -6.564 -7.189 6.293 1.00 0.00 C ATOM 638 O GLU A 44 -7.553 -7.442 6.982 1.00 0.00 O ATOM 639 CB GLU A 44 -4.557 -6.920 7.762 1.00 0.00 C ATOM 640 CG GLU A 44 -3.538 -7.684 8.591 1.00 0.00 C ATOM 641 CD GLU A 44 -4.113 -8.947 9.203 1.00 0.00 C ATOM 642 OE1 GLU A 44 -5.044 -8.837 10.027 1.00 0.00 O ATOM 643 OE2 GLU A 44 -3.631 -10.045 8.856 1.00 0.00 O ATOM 0 H GLU A 44 -3.594 -7.077 5.475 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.323 -8.780 7.003 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.073 -6.050 7.319 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.342 -6.548 8.420 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -2.686 -7.944 7.963 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -3.163 -7.038 9.385 1.00 0.00 H new ATOM 650 N THR A 45 -6.616 -6.420 5.210 1.00 0.00 N ATOM 651 CA THR A 45 -7.863 -5.815 4.761 1.00 0.00 C ATOM 652 C THR A 45 -8.734 -6.829 4.028 1.00 0.00 C ATOM 653 O THR A 45 -9.910 -7.000 4.350 1.00 0.00 O ATOM 654 CB THR A 45 -7.603 -4.613 3.833 1.00 0.00 C ATOM 655 OG1 THR A 45 -6.483 -4.884 2.984 1.00 0.00 O ATOM 656 CG2 THR A 45 -7.340 -3.352 4.642 1.00 0.00 C ATOM 0 H THR A 45 -5.808 -6.202 4.627 1.00 0.00 H new ATOM 0 HA THR A 45 -8.385 -5.469 5.653 1.00 0.00 H new ATOM 0 HB THR A 45 -8.492 -4.454 3.222 1.00 0.00 H new ATOM 0 HG1 THR A 45 -5.652 -4.709 3.473 1.00 0.00 H new ATOM 0 HG21 THR A 45 -7.159 -2.517 3.965 1.00 0.00 H new ATOM 0 HG22 THR A 45 -8.206 -3.133 5.266 1.00 0.00 H new ATOM 0 HG23 THR A 45 -6.466 -3.502 5.275 1.00 0.00 H new ATOM 664 N VAL A 46 -8.149 -7.501 3.042 1.00 0.00 N ATOM 665 CA VAL A 46 -8.871 -8.501 2.264 1.00 0.00 C ATOM 666 C VAL A 46 -8.105 -9.818 2.216 1.00 0.00 C ATOM 667 O VAL A 46 -8.701 -10.895 2.228 1.00 0.00 O ATOM 668 CB VAL A 46 -9.126 -8.015 0.825 1.00 0.00 C ATOM 669 CG1 VAL A 46 -7.815 -7.658 0.141 1.00 0.00 C ATOM 670 CG2 VAL A 46 -9.879 -9.073 0.032 1.00 0.00 C ATOM 0 H VAL A 46 -7.177 -7.371 2.763 1.00 0.00 H new ATOM 0 HA VAL A 46 -9.828 -8.659 2.761 1.00 0.00 H new ATOM 0 HB VAL A 46 -9.742 -7.117 0.867 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -8.016 -7.317 -0.875 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -7.318 -6.864 0.699 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -7.171 -8.537 0.108 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -10.051 -8.713 -0.983 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.290 -9.989 -0.003 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -10.836 -9.275 0.512 1.00 0.00 H new ATOM 680 N GLY A 47 -6.780 -9.725 2.163 1.00 0.00 N ATOM 681 CA GLY A 47 -5.954 -10.917 2.115 1.00 0.00 C ATOM 682 C GLY A 47 -6.445 -11.922 1.091 1.00 0.00 C ATOM 683 O GLY A 47 -7.182 -11.570 0.170 1.00 0.00 O ATOM 0 H GLY A 47 -6.264 -8.845 2.152 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -4.928 -10.635 1.880 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.938 -11.384 3.100 1.00 0.00 H new ATOM 687 N SER A 48 -6.033 -13.175 1.250 1.00 0.00 N ATOM 688 CA SER A 48 -6.431 -14.233 0.328 1.00 0.00 C ATOM 689 C SER A 48 -6.599 -15.559 1.064 1.00 0.00 C ATOM 690 O SER A 48 -6.410 -15.636 2.277 1.00 0.00 O ATOM 691 CB SER A 48 -5.395 -14.383 -0.787 1.00 0.00 C ATOM 692 OG SER A 48 -5.247 -13.174 -1.512 1.00 0.00 O ATOM 0 H SER A 48 -5.424 -13.483 2.008 1.00 0.00 H new ATOM 0 HA SER A 48 -7.389 -13.957 -0.112 1.00 0.00 H new ATOM 0 HB2 SER A 48 -4.436 -14.674 -0.359 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.698 -15.182 -1.464 1.00 0.00 H new ATOM 0 HG SER A 48 -4.578 -13.296 -2.218 1.00 0.00 H new ATOM 698 N GLN A 49 -6.955 -16.601 0.319 1.00 0.00 N ATOM 699 CA GLN A 49 -7.149 -17.924 0.899 1.00 0.00 C ATOM 700 C GLN A 49 -6.096 -18.211 1.964 1.00 0.00 C ATOM 701 O GLN A 49 -4.896 -18.090 1.714 1.00 0.00 O ATOM 702 CB GLN A 49 -7.095 -18.996 -0.191 1.00 0.00 C ATOM 703 CG GLN A 49 -8.359 -19.072 -1.033 1.00 0.00 C ATOM 704 CD GLN A 49 -9.530 -19.663 -0.274 1.00 0.00 C ATOM 705 OE1 GLN A 49 -9.903 -19.177 0.794 1.00 0.00 O ATOM 706 NE2 GLN A 49 -10.120 -20.719 -0.824 1.00 0.00 N ATOM 0 H GLN A 49 -7.115 -16.554 -0.687 1.00 0.00 H new ATOM 0 HA GLN A 49 -8.132 -17.945 1.370 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -6.245 -18.796 -0.844 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -6.919 -19.966 0.274 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -8.622 -18.072 -1.378 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -8.164 -19.675 -1.920 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -9.778 -21.090 -1.711 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -10.914 -21.159 -0.359 1.00 0.00 H new ATOM 715 N LEU A 50 -6.552 -18.592 3.152 1.00 0.00 N ATOM 716 CA LEU A 50 -5.648 -18.897 4.256 1.00 0.00 C ATOM 717 C LEU A 50 -6.042 -20.203 4.938 1.00 0.00 C ATOM 718 O LEU A 50 -7.223 -20.458 5.179 1.00 0.00 O ATOM 719 CB LEU A 50 -5.653 -17.755 5.275 1.00 0.00 C ATOM 720 CG LEU A 50 -5.105 -18.091 6.662 1.00 0.00 C ATOM 721 CD1 LEU A 50 -3.587 -18.000 6.674 1.00 0.00 C ATOM 722 CD2 LEU A 50 -5.705 -17.166 7.711 1.00 0.00 C ATOM 0 H LEU A 50 -7.542 -18.697 3.376 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.643 -19.010 3.850 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -5.071 -16.928 4.867 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -6.677 -17.399 5.387 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.388 -19.115 6.905 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.216 -18.243 7.670 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.175 -18.704 5.951 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.281 -16.988 6.409 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.304 -17.420 8.692 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.453 -16.133 7.472 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.789 -17.282 7.721 1.00 0.00 H new ATOM 734 N ASP A 51 -5.047 -21.026 5.249 1.00 0.00 N ATOM 735 CA ASP A 51 -5.289 -22.305 5.906 1.00 0.00 C ATOM 736 C ASP A 51 -4.991 -22.214 7.399 1.00 0.00 C ATOM 737 O ASP A 51 -3.833 -22.121 7.807 1.00 0.00 O ATOM 738 CB ASP A 51 -4.433 -23.401 5.269 1.00 0.00 C ATOM 739 CG ASP A 51 -3.009 -22.948 5.014 1.00 0.00 C ATOM 740 OD1 ASP A 51 -2.278 -22.706 5.998 1.00 0.00 O ATOM 741 OD2 ASP A 51 -2.624 -22.834 3.832 1.00 0.00 O ATOM 0 H ASP A 51 -4.065 -20.830 5.057 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.342 -22.557 5.778 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.422 -24.275 5.921 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -4.887 -23.711 4.328 1.00 0.00 H new ATOM 746 N ARG A 52 -6.044 -22.239 8.210 1.00 0.00 N ATOM 747 CA ARG A 52 -5.895 -22.157 9.658 1.00 0.00 C ATOM 748 C ARG A 52 -5.776 -23.548 10.273 1.00 0.00 C ATOM 749 O ARG A 52 -6.780 -24.210 10.533 1.00 0.00 O ATOM 750 CB ARG A 52 -7.084 -21.416 10.273 1.00 0.00 C ATOM 751 CG ARG A 52 -7.153 -21.527 11.787 1.00 0.00 C ATOM 752 CD ARG A 52 -8.294 -20.696 12.355 1.00 0.00 C ATOM 753 NE ARG A 52 -8.413 -20.847 13.803 1.00 0.00 N ATOM 754 CZ ARG A 52 -9.223 -20.109 14.554 1.00 0.00 C ATOM 755 NH1 ARG A 52 -9.981 -19.175 13.997 1.00 0.00 N ATOM 756 NH2 ARG A 52 -9.276 -20.306 15.865 1.00 0.00 N ATOM 0 H ARG A 52 -7.009 -22.315 7.889 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.980 -21.605 9.873 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -7.028 -20.363 9.996 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -8.007 -21.809 9.846 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -7.285 -22.571 12.071 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -6.209 -21.196 12.221 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -8.133 -19.646 12.112 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -9.230 -20.993 11.881 1.00 0.00 H new ATOM 0 HE ARG A 52 -7.843 -21.558 14.262 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -9.943 -19.022 12.989 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -10.602 -18.610 14.576 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -8.695 -21.024 16.297 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -9.898 -19.739 16.441 1.00 0.00 H new ATOM 770 N GLU A 53 -4.541 -23.985 10.501 1.00 0.00 N ATOM 771 CA GLU A 53 -4.292 -25.298 11.084 1.00 0.00 C ATOM 772 C GLU A 53 -3.994 -25.184 12.576 1.00 0.00 C ATOM 773 O GLU A 53 -4.609 -25.864 13.398 1.00 0.00 O ATOM 774 CB GLU A 53 -3.124 -25.984 10.371 1.00 0.00 C ATOM 775 CG GLU A 53 -3.040 -27.477 10.638 1.00 0.00 C ATOM 776 CD GLU A 53 -4.008 -28.278 9.788 1.00 0.00 C ATOM 777 OE1 GLU A 53 -5.133 -27.791 9.551 1.00 0.00 O ATOM 778 OE2 GLU A 53 -3.638 -29.391 9.360 1.00 0.00 O ATOM 0 H GLU A 53 -3.699 -23.450 10.291 1.00 0.00 H new ATOM 0 HA GLU A 53 -5.192 -25.900 10.956 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.218 -25.820 9.297 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.192 -25.514 10.685 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.024 -27.820 10.445 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.246 -27.666 11.692 1.00 0.00 H new ATOM 785 N LYS A 54 -3.046 -24.319 12.919 1.00 0.00 N ATOM 786 CA LYS A 54 -2.665 -24.113 14.312 1.00 0.00 C ATOM 787 C LYS A 54 -3.761 -23.374 15.072 1.00 0.00 C ATOM 788 O LYS A 54 -3.970 -22.177 14.871 1.00 0.00 O ATOM 789 CB LYS A 54 -1.354 -23.328 14.393 1.00 0.00 C ATOM 790 CG LYS A 54 -0.742 -23.308 15.783 1.00 0.00 C ATOM 791 CD LYS A 54 0.311 -22.220 15.913 1.00 0.00 C ATOM 792 CE LYS A 54 -0.307 -20.894 16.332 1.00 0.00 C ATOM 793 NZ LYS A 54 0.643 -20.066 17.125 1.00 0.00 N ATOM 0 H LYS A 54 -2.527 -23.749 12.251 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.524 -25.091 14.773 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.637 -23.761 13.696 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.534 -22.303 14.069 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.525 -23.148 16.524 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.293 -24.278 15.998 1.00 0.00 H new ATOM 0 HD2 LYS A 54 1.059 -22.522 16.646 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.828 -22.097 14.962 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -0.617 -20.342 15.445 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.205 -21.082 16.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 0.185 -19.171 17.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 0.920 -20.582 17.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 1.489 -19.865 16.554 1.00 0.00 H new ATOM 807 N ASP A 55 -4.457 -24.092 15.946 1.00 0.00 N ATOM 808 CA ASP A 55 -5.530 -23.503 16.739 1.00 0.00 C ATOM 809 C ASP A 55 -4.979 -22.864 18.010 1.00 0.00 C ATOM 810 O ASP A 55 -3.771 -22.866 18.244 1.00 0.00 O ATOM 811 CB ASP A 55 -6.571 -24.565 17.096 1.00 0.00 C ATOM 812 CG ASP A 55 -7.931 -23.965 17.392 1.00 0.00 C ATOM 813 OD1 ASP A 55 -7.980 -22.880 18.006 1.00 0.00 O ATOM 814 OD2 ASP A 55 -8.948 -24.583 17.010 1.00 0.00 O ATOM 0 H ASP A 55 -4.297 -25.084 16.124 1.00 0.00 H new ATOM 0 HA ASP A 55 -6.006 -22.726 16.141 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.661 -25.273 16.272 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -6.229 -25.128 17.964 1.00 0.00 H new TER 819 ASP A 55 HETATM 820 ZN ZN A 201 -0.005 1.573 2.938 1.00 0.00 ZN