USER MOD reduce.3.24.130724 H: found=0, std=0, add=483, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 390 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 35 HIS HD1 : A 35 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 20 LYS NZ :NH3+ -170:sc= -0.0318 (180deg=-0.203) USER MOD Set 1.2: A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 18:sc= 0.43 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 10 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0616) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.299) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 HIS : no HD1:sc= -4.57! C(o=-4.6!,f=-3.9!) USER MOD Single : A 26 CYS SG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 56:sc= 1.17 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -0.0782 K(o=-0.078,f=-1.7!) USER MOD Single : A 31 THR OG1 : rot -154:sc= 0.0993 USER MOD Single : A 40 SER OG : rot 180:sc= -0.0287 USER MOD Single : A 42 MET CE :methyl 174:sc= -7.34! (180deg=-7.61!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -43:sc= 0.408 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.175 X(o=-0.18,f=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -50.876 26.768 -4.206 1.00 0.00 N ATOM 2 CA GLY A 1 -51.694 27.501 -3.258 1.00 0.00 C ATOM 3 C GLY A 1 -51.578 26.956 -1.849 1.00 0.00 C ATOM 4 O GLY A 1 -51.074 27.634 -0.953 1.00 0.00 O ATOM 0 H1 GLY A 1 -50.990 27.179 -5.154 1.00 0.00 H new ATOM 0 H2 GLY A 1 -49.877 26.827 -3.921 1.00 0.00 H new ATOM 0 H3 GLY A 1 -51.173 25.771 -4.223 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -51.399 28.550 -3.264 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -52.736 27.461 -3.575 1.00 0.00 H new ATOM 8 N SER A 2 -52.046 25.727 -1.650 1.00 0.00 N ATOM 9 CA SER A 2 -51.996 25.093 -0.338 1.00 0.00 C ATOM 10 C SER A 2 -51.954 23.574 -0.470 1.00 0.00 C ATOM 11 O SER A 2 -52.625 22.856 0.272 1.00 0.00 O ATOM 12 CB SER A 2 -53.207 25.509 0.499 1.00 0.00 C ATOM 13 OG SER A 2 -53.025 26.801 1.053 1.00 0.00 O ATOM 0 H SER A 2 -52.464 25.151 -2.381 1.00 0.00 H new ATOM 0 HA SER A 2 -51.086 25.423 0.163 1.00 0.00 H new ATOM 0 HB2 SER A 2 -54.103 25.499 -0.122 1.00 0.00 H new ATOM 0 HB3 SER A 2 -53.366 24.786 1.299 1.00 0.00 H new ATOM 0 HG SER A 2 -52.315 27.269 0.566 1.00 0.00 H new ATOM 18 N SER A 3 -51.160 23.091 -1.420 1.00 0.00 N ATOM 19 CA SER A 3 -51.031 21.657 -1.654 1.00 0.00 C ATOM 20 C SER A 3 -49.700 21.333 -2.324 1.00 0.00 C ATOM 21 O SER A 3 -49.287 22.007 -3.266 1.00 0.00 O ATOM 22 CB SER A 3 -52.188 21.155 -2.520 1.00 0.00 C ATOM 23 OG SER A 3 -51.926 19.852 -3.014 1.00 0.00 O ATOM 0 H SER A 3 -50.596 23.672 -2.041 1.00 0.00 H new ATOM 0 HA SER A 3 -51.063 21.152 -0.689 1.00 0.00 H new ATOM 0 HB2 SER A 3 -53.108 21.148 -1.935 1.00 0.00 H new ATOM 0 HB3 SER A 3 -52.346 21.839 -3.354 1.00 0.00 H new ATOM 0 HG SER A 3 -52.680 19.552 -3.563 1.00 0.00 H new ATOM 28 N GLY A 4 -49.032 20.295 -1.830 1.00 0.00 N ATOM 29 CA GLY A 4 -47.754 19.899 -2.391 1.00 0.00 C ATOM 30 C GLY A 4 -47.818 18.550 -3.080 1.00 0.00 C ATOM 31 O GLY A 4 -48.315 17.577 -2.511 1.00 0.00 O ATOM 0 H GLY A 4 -49.354 19.721 -1.051 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -47.425 20.653 -3.105 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -47.007 19.864 -1.598 1.00 0.00 H new ATOM 35 N SER A 5 -47.314 18.489 -4.309 1.00 0.00 N ATOM 36 CA SER A 5 -47.321 17.251 -5.078 1.00 0.00 C ATOM 37 C SER A 5 -46.525 17.410 -6.370 1.00 0.00 C ATOM 38 O SER A 5 -46.939 18.124 -7.283 1.00 0.00 O ATOM 39 CB SER A 5 -48.756 16.832 -5.399 1.00 0.00 C ATOM 40 OG SER A 5 -48.899 15.422 -5.356 1.00 0.00 O ATOM 0 H SER A 5 -46.896 19.283 -4.793 1.00 0.00 H new ATOM 0 HA SER A 5 -46.851 16.475 -4.474 1.00 0.00 H new ATOM 0 HB2 SER A 5 -49.440 17.292 -4.686 1.00 0.00 H new ATOM 0 HB3 SER A 5 -49.032 17.198 -6.388 1.00 0.00 H new ATOM 0 HG SER A 5 -49.826 15.181 -5.563 1.00 0.00 H new ATOM 45 N SER A 6 -45.380 16.739 -6.439 1.00 0.00 N ATOM 46 CA SER A 6 -44.523 16.808 -7.617 1.00 0.00 C ATOM 47 C SER A 6 -43.444 15.730 -7.568 1.00 0.00 C ATOM 48 O SER A 6 -43.530 14.785 -6.785 1.00 0.00 O ATOM 49 CB SER A 6 -43.875 18.190 -7.722 1.00 0.00 C ATOM 50 OG SER A 6 -44.057 18.741 -9.015 1.00 0.00 O ATOM 0 H SER A 6 -45.024 16.141 -5.693 1.00 0.00 H new ATOM 0 HA SER A 6 -45.143 16.637 -8.497 1.00 0.00 H new ATOM 0 HB2 SER A 6 -44.308 18.856 -6.975 1.00 0.00 H new ATOM 0 HB3 SER A 6 -42.810 18.114 -7.502 1.00 0.00 H new ATOM 0 HG SER A 6 -43.636 19.625 -9.056 1.00 0.00 H new ATOM 55 N GLY A 7 -42.427 15.880 -8.411 1.00 0.00 N ATOM 56 CA GLY A 7 -41.345 14.913 -8.449 1.00 0.00 C ATOM 57 C GLY A 7 -39.996 15.542 -8.161 1.00 0.00 C ATOM 58 O GLY A 7 -39.735 16.678 -8.556 1.00 0.00 O ATOM 0 H GLY A 7 -42.333 16.654 -9.069 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -41.539 14.126 -7.720 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -41.320 14.439 -9.430 1.00 0.00 H new ATOM 62 N PHE A 8 -39.137 14.801 -7.467 1.00 0.00 N ATOM 63 CA PHE A 8 -37.808 15.294 -7.124 1.00 0.00 C ATOM 64 C PHE A 8 -37.078 14.303 -6.222 1.00 0.00 C ATOM 65 O PHE A 8 -37.637 13.809 -5.242 1.00 0.00 O ATOM 66 CB PHE A 8 -37.908 16.654 -6.431 1.00 0.00 C ATOM 67 CG PHE A 8 -36.909 16.838 -5.324 1.00 0.00 C ATOM 68 CD1 PHE A 8 -37.172 16.364 -4.050 1.00 0.00 C ATOM 69 CD2 PHE A 8 -35.707 17.486 -5.559 1.00 0.00 C ATOM 70 CE1 PHE A 8 -36.255 16.532 -3.030 1.00 0.00 C ATOM 71 CE2 PHE A 8 -34.785 17.656 -4.543 1.00 0.00 C ATOM 72 CZ PHE A 8 -35.061 17.180 -3.276 1.00 0.00 C ATOM 0 H PHE A 8 -39.337 13.859 -7.132 1.00 0.00 H new ATOM 0 HA PHE A 8 -37.239 15.406 -8.047 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -37.767 17.441 -7.171 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -38.913 16.774 -6.026 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -38.105 15.857 -3.851 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -35.488 17.863 -6.547 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -36.472 16.157 -2.041 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -33.850 18.160 -4.740 1.00 0.00 H new ATOM 0 HZ PHE A 8 -34.344 17.314 -2.479 1.00 0.00 H new ATOM 81 N VAL A 9 -35.824 14.017 -6.560 1.00 0.00 N ATOM 82 CA VAL A 9 -35.017 13.086 -5.781 1.00 0.00 C ATOM 83 C VAL A 9 -33.663 13.695 -5.429 1.00 0.00 C ATOM 84 O VAL A 9 -33.136 14.530 -6.162 1.00 0.00 O ATOM 85 CB VAL A 9 -34.791 11.766 -6.541 1.00 0.00 C ATOM 86 CG1 VAL A 9 -34.312 12.042 -7.959 1.00 0.00 C ATOM 87 CG2 VAL A 9 -33.799 10.885 -5.797 1.00 0.00 C ATOM 0 H VAL A 9 -35.346 14.417 -7.368 1.00 0.00 H new ATOM 0 HA VAL A 9 -35.569 12.878 -4.865 1.00 0.00 H new ATOM 0 HB VAL A 9 -35.741 11.234 -6.600 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -34.157 11.098 -8.481 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -35.061 12.631 -8.488 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -33.374 12.595 -7.925 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -33.652 9.957 -6.349 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -32.847 11.407 -5.705 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -34.187 10.659 -4.804 1.00 0.00 H new ATOM 97 N LYS A 10 -33.106 13.270 -4.300 1.00 0.00 N ATOM 98 CA LYS A 10 -31.812 13.770 -3.849 1.00 0.00 C ATOM 99 C LYS A 10 -30.875 12.619 -3.500 1.00 0.00 C ATOM 100 O LYS A 10 -31.320 11.534 -3.124 1.00 0.00 O ATOM 101 CB LYS A 10 -31.991 14.684 -2.635 1.00 0.00 C ATOM 102 CG LYS A 10 -31.519 16.108 -2.870 1.00 0.00 C ATOM 103 CD LYS A 10 -30.009 16.222 -2.751 1.00 0.00 C ATOM 104 CE LYS A 10 -29.572 17.664 -2.550 1.00 0.00 C ATOM 105 NZ LYS A 10 -29.856 18.143 -1.169 1.00 0.00 N ATOM 0 H LYS A 10 -33.530 12.580 -3.680 1.00 0.00 H new ATOM 0 HA LYS A 10 -31.367 14.342 -4.664 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -33.045 14.701 -2.356 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -31.444 14.264 -1.791 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -31.833 16.437 -3.861 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -31.993 16.773 -2.148 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -29.662 15.616 -1.914 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -29.541 15.821 -3.650 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -28.504 17.751 -2.752 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -30.086 18.303 -3.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -29.368 19.047 -1.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -30.881 18.277 -1.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -29.518 17.440 -0.481 1.00 0.00 H new ATOM 115 N THR A 11 -29.573 12.862 -3.623 1.00 0.00 N ATOM 116 CA THR A 11 -28.573 11.846 -3.320 1.00 0.00 C ATOM 117 C THR A 11 -27.509 12.388 -2.372 1.00 0.00 C ATOM 118 O THR A 11 -27.284 13.596 -2.301 1.00 0.00 O ATOM 119 CB THR A 11 -27.890 11.331 -4.600 1.00 0.00 C ATOM 120 OG1 THR A 11 -28.563 11.844 -5.756 1.00 0.00 O ATOM 121 CG2 THR A 11 -27.893 9.809 -4.640 1.00 0.00 C ATOM 0 H THR A 11 -29.187 13.755 -3.931 1.00 0.00 H new ATOM 0 HA THR A 11 -29.097 11.020 -2.840 1.00 0.00 H new ATOM 0 HB THR A 11 -26.857 11.678 -4.598 1.00 0.00 H new ATOM 0 HG1 THR A 11 -28.121 11.513 -6.566 1.00 0.00 H new ATOM 0 HG21 THR A 11 -27.405 9.468 -5.553 1.00 0.00 H new ATOM 0 HG22 THR A 11 -27.355 9.421 -3.775 1.00 0.00 H new ATOM 0 HG23 THR A 11 -28.921 9.447 -4.621 1.00 0.00 H new ATOM 129 N VAL A 12 -26.856 11.486 -1.646 1.00 0.00 N ATOM 130 CA VAL A 12 -25.814 11.873 -0.703 1.00 0.00 C ATOM 131 C VAL A 12 -24.616 10.934 -0.792 1.00 0.00 C ATOM 132 O VAL A 12 -24.723 9.746 -0.491 1.00 0.00 O ATOM 133 CB VAL A 12 -26.340 11.881 0.744 1.00 0.00 C ATOM 134 CG1 VAL A 12 -25.227 12.243 1.715 1.00 0.00 C ATOM 135 CG2 VAL A 12 -27.511 12.843 0.880 1.00 0.00 C ATOM 0 H VAL A 12 -27.030 10.482 -1.693 1.00 0.00 H new ATOM 0 HA VAL A 12 -25.502 12.882 -0.973 1.00 0.00 H new ATOM 0 HB VAL A 12 -26.692 10.879 0.989 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -25.618 12.244 2.733 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -24.423 11.512 1.636 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -24.842 13.234 1.474 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -27.870 12.836 1.909 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -27.187 13.850 0.616 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -28.315 12.534 0.213 1.00 0.00 H new ATOM 145 N GLU A 13 -23.475 11.477 -1.207 1.00 0.00 N ATOM 146 CA GLU A 13 -22.257 10.686 -1.336 1.00 0.00 C ATOM 147 C GLU A 13 -21.195 11.158 -0.347 1.00 0.00 C ATOM 148 O GLU A 13 -20.923 12.354 -0.236 1.00 0.00 O ATOM 149 CB GLU A 13 -21.714 10.772 -2.763 1.00 0.00 C ATOM 150 CG GLU A 13 -22.460 9.892 -3.752 1.00 0.00 C ATOM 151 CD GLU A 13 -21.863 9.943 -5.146 1.00 0.00 C ATOM 152 OE1 GLU A 13 -20.677 10.313 -5.269 1.00 0.00 O ATOM 153 OE2 GLU A 13 -22.583 9.615 -6.112 1.00 0.00 O ATOM 0 H GLU A 13 -23.369 12.460 -1.459 1.00 0.00 H new ATOM 0 HA GLU A 13 -22.503 9.648 -1.111 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -21.765 11.807 -3.100 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -20.661 10.489 -2.760 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -22.451 8.862 -3.395 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -23.503 10.205 -3.796 1.00 0.00 H new ATOM 158 N ASP A 14 -20.600 10.211 0.370 1.00 0.00 N ATOM 159 CA ASP A 14 -19.567 10.530 1.349 1.00 0.00 C ATOM 160 C ASP A 14 -18.330 9.664 1.134 1.00 0.00 C ATOM 161 O ASP A 14 -18.405 8.435 1.159 1.00 0.00 O ATOM 162 CB ASP A 14 -20.102 10.333 2.768 1.00 0.00 C ATOM 163 CG ASP A 14 -21.076 11.420 3.176 1.00 0.00 C ATOM 164 OD1 ASP A 14 -21.615 12.101 2.279 1.00 0.00 O ATOM 165 OD2 ASP A 14 -21.300 11.591 4.393 1.00 0.00 O ATOM 0 H ASP A 14 -20.815 9.217 0.292 1.00 0.00 H new ATOM 0 HA ASP A 14 -19.285 11.575 1.217 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -20.595 9.363 2.836 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -19.267 10.316 3.469 1.00 0.00 H new ATOM 169 N LYS A 15 -17.190 10.313 0.923 1.00 0.00 N ATOM 170 CA LYS A 15 -15.934 9.605 0.704 1.00 0.00 C ATOM 171 C LYS A 15 -15.541 8.801 1.938 1.00 0.00 C ATOM 172 O LYS A 15 -16.304 8.706 2.899 1.00 0.00 O ATOM 173 CB LYS A 15 -14.821 10.595 0.350 1.00 0.00 C ATOM 174 CG LYS A 15 -14.710 11.757 1.321 1.00 0.00 C ATOM 175 CD LYS A 15 -14.414 13.061 0.598 1.00 0.00 C ATOM 176 CE LYS A 15 -13.107 12.985 -0.177 1.00 0.00 C ATOM 177 NZ LYS A 15 -13.337 12.920 -1.647 1.00 0.00 N ATOM 0 H LYS A 15 -17.110 11.330 0.899 1.00 0.00 H new ATOM 0 HA LYS A 15 -16.075 8.915 -0.128 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -13.869 10.064 0.321 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -14.999 10.985 -0.652 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -15.640 11.854 1.882 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -13.921 11.554 2.045 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -15.231 13.293 -0.086 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -14.363 13.875 1.321 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -12.495 13.856 0.057 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -12.546 12.107 0.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -12.488 13.255 -2.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -13.537 11.938 -1.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -14.147 13.522 -1.899 1.00 0.00 H new ATOM 187 N TYR A 16 -14.344 8.224 1.907 1.00 0.00 N ATOM 188 CA TYR A 16 -13.849 7.427 3.022 1.00 0.00 C ATOM 189 C TYR A 16 -12.797 8.195 3.816 1.00 0.00 C ATOM 190 O TYR A 16 -12.599 9.393 3.611 1.00 0.00 O ATOM 191 CB TYR A 16 -13.261 6.110 2.515 1.00 0.00 C ATOM 192 CG TYR A 16 -14.214 5.314 1.652 1.00 0.00 C ATOM 193 CD1 TYR A 16 -15.560 5.651 1.574 1.00 0.00 C ATOM 194 CD2 TYR A 16 -13.768 4.225 0.913 1.00 0.00 C ATOM 195 CE1 TYR A 16 -16.434 4.927 0.788 1.00 0.00 C ATOM 196 CE2 TYR A 16 -14.635 3.495 0.122 1.00 0.00 C ATOM 197 CZ TYR A 16 -15.967 3.850 0.064 1.00 0.00 C ATOM 198 OH TYR A 16 -16.834 3.126 -0.722 1.00 0.00 O ATOM 0 H TYR A 16 -13.699 8.294 1.120 1.00 0.00 H new ATOM 0 HA TYR A 16 -14.690 7.211 3.681 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -12.357 6.321 1.944 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -12.963 5.502 3.369 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -15.929 6.495 2.139 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -12.726 3.944 0.957 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -17.477 5.202 0.740 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -14.272 2.652 -0.447 1.00 0.00 H new ATOM 0 HH TYR A 16 -16.346 2.402 -1.166 1.00 0.00 H new ATOM 207 N LYS A 17 -12.122 7.496 4.723 1.00 0.00 N ATOM 208 CA LYS A 17 -11.087 8.109 5.547 1.00 0.00 C ATOM 209 C LYS A 17 -10.196 7.045 6.180 1.00 0.00 C ATOM 210 O LYS A 17 -10.679 6.013 6.645 1.00 0.00 O ATOM 211 CB LYS A 17 -11.721 8.974 6.638 1.00 0.00 C ATOM 212 CG LYS A 17 -10.855 9.123 7.877 1.00 0.00 C ATOM 213 CD LYS A 17 -11.379 8.281 9.028 1.00 0.00 C ATOM 214 CE LYS A 17 -12.269 9.095 9.954 1.00 0.00 C ATOM 215 NZ LYS A 17 -13.587 8.439 10.175 1.00 0.00 N ATOM 0 H LYS A 17 -12.274 6.504 4.906 1.00 0.00 H new ATOM 0 HA LYS A 17 -10.471 8.739 4.905 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -11.930 9.963 6.230 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -12.678 8.539 6.924 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.832 8.827 7.645 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.824 10.171 8.176 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.940 7.434 8.634 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.541 7.873 9.593 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.767 9.233 10.912 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.424 10.087 9.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -14.164 9.025 10.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -14.078 8.330 9.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -13.441 7.503 10.604 1.00 0.00 H new ATOM 225 N CYS A 18 -8.893 7.305 6.196 1.00 0.00 N ATOM 226 CA CYS A 18 -7.933 6.371 6.773 1.00 0.00 C ATOM 227 C CYS A 18 -8.279 6.066 8.228 1.00 0.00 C ATOM 228 O CYS A 18 -8.658 6.958 8.986 1.00 0.00 O ATOM 229 CB CYS A 18 -6.516 6.941 6.682 1.00 0.00 C ATOM 230 SG CYS A 18 -5.280 6.019 7.651 1.00 0.00 S ATOM 0 H CYS A 18 -8.477 8.155 5.816 1.00 0.00 H new ATOM 0 HA CYS A 18 -7.980 5.442 6.204 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -6.207 6.953 5.637 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -6.530 7.976 7.022 1.00 0.00 H new ATOM 234 N GLU A 19 -8.145 4.799 8.610 1.00 0.00 N ATOM 235 CA GLU A 19 -8.442 4.378 9.973 1.00 0.00 C ATOM 236 C GLU A 19 -7.242 4.605 10.887 1.00 0.00 C ATOM 237 O GLU A 19 -7.058 3.895 11.877 1.00 0.00 O ATOM 238 CB GLU A 19 -8.844 2.901 9.998 1.00 0.00 C ATOM 239 CG GLU A 19 -10.333 2.673 9.796 1.00 0.00 C ATOM 240 CD GLU A 19 -11.185 3.633 10.601 1.00 0.00 C ATOM 241 OE1 GLU A 19 -10.895 3.819 11.802 1.00 0.00 O ATOM 242 OE2 GLU A 19 -12.141 4.199 10.032 1.00 0.00 O ATOM 0 H GLU A 19 -7.833 4.048 7.995 1.00 0.00 H new ATOM 0 HA GLU A 19 -9.274 4.980 10.339 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -8.295 2.370 9.220 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.545 2.468 10.952 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -10.573 2.780 8.738 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -10.581 1.650 10.077 1.00 0.00 H new ATOM 247 N LYS A 20 -6.428 5.599 10.549 1.00 0.00 N ATOM 248 CA LYS A 20 -5.245 5.922 11.339 1.00 0.00 C ATOM 249 C LYS A 20 -5.116 7.429 11.533 1.00 0.00 C ATOM 250 O LYS A 20 -5.261 7.936 12.645 1.00 0.00 O ATOM 251 CB LYS A 20 -3.988 5.374 10.660 1.00 0.00 C ATOM 252 CG LYS A 20 -3.186 4.429 11.536 1.00 0.00 C ATOM 253 CD LYS A 20 -2.198 3.614 10.718 1.00 0.00 C ATOM 254 CE LYS A 20 -1.473 2.589 11.578 1.00 0.00 C ATOM 255 NZ LYS A 20 -0.776 3.226 12.730 1.00 0.00 N ATOM 0 H LYS A 20 -6.566 6.195 9.733 1.00 0.00 H new ATOM 0 HA LYS A 20 -5.354 5.456 12.318 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.276 4.853 9.747 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.352 6.208 10.363 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -2.649 5.001 12.293 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.863 3.758 12.064 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.725 3.105 9.911 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.471 4.281 10.254 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.188 1.854 11.947 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.748 2.050 10.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.159 2.528 13.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.202 4.024 12.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.480 3.572 13.413 1.00 0.00 H new ATOM 265 N CYS A 21 -4.843 8.140 10.445 1.00 0.00 N ATOM 266 CA CYS A 21 -4.695 9.589 10.494 1.00 0.00 C ATOM 267 C CYS A 21 -6.019 10.282 10.183 1.00 0.00 C ATOM 268 O CYS A 21 -6.112 11.510 10.216 1.00 0.00 O ATOM 269 CB CYS A 21 -3.623 10.048 9.504 1.00 0.00 C ATOM 270 SG CYS A 21 -3.832 9.386 7.820 1.00 0.00 S ATOM 0 H CYS A 21 -4.720 7.735 9.517 1.00 0.00 H new ATOM 0 HA CYS A 21 -4.389 9.863 11.504 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -3.629 11.137 9.458 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -2.645 9.750 9.881 1.00 0.00 H new ATOM 274 N HIS A 22 -7.040 9.486 9.883 1.00 0.00 N ATOM 275 CA HIS A 22 -8.360 10.024 9.567 1.00 0.00 C ATOM 276 C HIS A 22 -8.316 10.855 8.287 1.00 0.00 C ATOM 277 O HIS A 22 -9.117 11.771 8.104 1.00 0.00 O ATOM 278 CB HIS A 22 -8.877 10.876 10.726 1.00 0.00 C ATOM 279 CG HIS A 22 -8.049 10.763 11.968 1.00 0.00 C ATOM 280 ND1 HIS A 22 -7.570 11.859 12.654 1.00 0.00 N ATOM 281 CD2 HIS A 22 -7.619 9.676 12.650 1.00 0.00 C ATOM 282 CE1 HIS A 22 -6.878 11.451 13.703 1.00 0.00 C ATOM 283 NE2 HIS A 22 -6.893 10.130 13.724 1.00 0.00 N ATOM 0 H HIS A 22 -6.980 8.468 9.852 1.00 0.00 H new ATOM 0 HA HIS A 22 -9.040 9.186 9.411 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -8.908 11.920 10.413 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -9.901 10.581 10.954 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -7.811 8.644 12.397 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -6.384 12.089 14.421 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -6.439 9.543 14.424 1.00 0.00 H new ATOM 290 N LEU A 23 -7.376 10.528 7.408 1.00 0.00 N ATOM 291 CA LEU A 23 -7.227 11.244 6.145 1.00 0.00 C ATOM 292 C LEU A 23 -8.328 10.854 5.165 1.00 0.00 C ATOM 293 O LEU A 23 -8.437 9.694 4.767 1.00 0.00 O ATOM 294 CB LEU A 23 -5.857 10.957 5.531 1.00 0.00 C ATOM 295 CG LEU A 23 -4.779 12.016 5.770 1.00 0.00 C ATOM 296 CD1 LEU A 23 -3.392 11.403 5.648 1.00 0.00 C ATOM 297 CD2 LEU A 23 -4.942 13.172 4.795 1.00 0.00 C ATOM 0 H LEU A 23 -6.705 9.772 7.546 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.309 12.311 6.350 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.497 10.006 5.924 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.982 10.831 4.456 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.894 12.403 6.783 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.638 12.171 5.821 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.278 10.610 6.387 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.264 10.988 4.648 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.167 13.916 4.980 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.854 12.802 3.774 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.922 13.628 4.932 1.00 0.00 H new ATOM 308 N VAL A 24 -9.142 11.830 4.777 1.00 0.00 N ATOM 309 CA VAL A 24 -10.234 11.590 3.840 1.00 0.00 C ATOM 310 C VAL A 24 -9.704 11.128 2.487 1.00 0.00 C ATOM 311 O VAL A 24 -8.959 11.847 1.820 1.00 0.00 O ATOM 312 CB VAL A 24 -11.090 12.855 3.639 1.00 0.00 C ATOM 313 CG1 VAL A 24 -11.850 12.780 2.323 1.00 0.00 C ATOM 314 CG2 VAL A 24 -12.046 13.042 4.807 1.00 0.00 C ATOM 0 H VAL A 24 -9.066 12.796 5.097 1.00 0.00 H new ATOM 0 HA VAL A 24 -10.855 10.805 4.272 1.00 0.00 H new ATOM 0 HB VAL A 24 -10.428 13.720 3.600 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -12.449 13.682 2.197 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -11.142 12.697 1.498 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -12.504 11.908 2.329 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -12.643 13.940 4.648 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -12.705 12.177 4.880 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -11.476 13.143 5.731 1.00 0.00 H new ATOM 324 N LEU A 25 -10.092 9.922 2.086 1.00 0.00 N ATOM 325 CA LEU A 25 -9.657 9.362 0.811 1.00 0.00 C ATOM 326 C LEU A 25 -10.854 8.947 -0.038 1.00 0.00 C ATOM 327 O LEU A 25 -11.992 8.942 0.433 1.00 0.00 O ATOM 328 CB LEU A 25 -8.742 8.160 1.046 1.00 0.00 C ATOM 329 CG LEU A 25 -8.224 7.979 2.473 1.00 0.00 C ATOM 330 CD1 LEU A 25 -7.906 6.517 2.744 1.00 0.00 C ATOM 331 CD2 LEU A 25 -6.996 8.846 2.709 1.00 0.00 C ATOM 0 H LEU A 25 -10.707 9.313 2.626 1.00 0.00 H new ATOM 0 HA LEU A 25 -9.104 10.132 0.273 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -9.281 7.257 0.759 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.885 8.245 0.378 1.00 0.00 H new ATOM 0 HG LEU A 25 -9.005 8.294 3.165 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.539 6.408 3.764 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.808 5.919 2.617 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.143 6.175 2.045 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.641 8.704 3.730 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.210 8.562 2.009 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -7.256 9.894 2.557 1.00 0.00 H new ATOM 342 N CYS A 26 -10.590 8.597 -1.293 1.00 0.00 N ATOM 343 CA CYS A 26 -11.645 8.178 -2.208 1.00 0.00 C ATOM 344 C CYS A 26 -11.559 6.681 -2.486 1.00 0.00 C ATOM 345 O CYS A 26 -12.570 6.028 -2.744 1.00 0.00 O ATOM 346 CB CYS A 26 -11.549 8.959 -3.521 1.00 0.00 C ATOM 347 SG CYS A 26 -13.162 9.430 -4.224 1.00 0.00 S ATOM 0 H CYS A 26 -9.654 8.595 -1.699 1.00 0.00 H new ATOM 0 HA CYS A 26 -12.606 8.388 -1.738 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -10.960 9.861 -3.353 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -11.008 8.357 -4.251 1.00 0.00 H new ATOM 0 HG CYS A 26 -12.978 10.087 -5.330 1.00 0.00 H new ATOM 351 N SER A 27 -10.345 6.143 -2.433 1.00 0.00 N ATOM 352 CA SER A 27 -10.126 4.723 -2.683 1.00 0.00 C ATOM 353 C SER A 27 -8.945 4.203 -1.868 1.00 0.00 C ATOM 354 O SER A 27 -7.823 4.080 -2.362 1.00 0.00 O ATOM 355 CB SER A 27 -9.879 4.478 -4.173 1.00 0.00 C ATOM 356 OG SER A 27 -8.605 4.957 -4.565 1.00 0.00 O ATOM 0 H SER A 27 -9.498 6.669 -2.219 1.00 0.00 H new ATOM 0 HA SER A 27 -11.022 4.183 -2.377 1.00 0.00 H new ATOM 0 HB2 SER A 27 -9.951 3.411 -4.386 1.00 0.00 H new ATOM 0 HB3 SER A 27 -10.653 4.973 -4.759 1.00 0.00 H new ATOM 0 HG SER A 27 -7.914 4.543 -4.007 1.00 0.00 H new ATOM 361 N PRO A 28 -9.201 3.890 -0.589 1.00 0.00 N ATOM 362 CA PRO A 28 -8.174 3.378 0.322 1.00 0.00 C ATOM 363 C PRO A 28 -7.733 1.964 -0.039 1.00 0.00 C ATOM 364 O PRO A 28 -7.987 1.485 -1.144 1.00 0.00 O ATOM 365 CB PRO A 28 -8.870 3.390 1.685 1.00 0.00 C ATOM 366 CG PRO A 28 -10.323 3.288 1.369 1.00 0.00 C ATOM 367 CD PRO A 28 -10.515 4.011 0.065 1.00 0.00 C ATOM 0 HA PRO A 28 -7.264 3.977 0.288 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -8.540 2.557 2.305 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -8.648 4.304 2.235 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -10.632 2.246 1.287 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -10.926 3.738 2.157 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -11.305 3.557 -0.533 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -10.792 5.054 0.221 1.00 0.00 H new ATOM 372 N LYS A 29 -7.070 1.299 0.902 1.00 0.00 N ATOM 373 CA LYS A 29 -6.593 -0.063 0.686 1.00 0.00 C ATOM 374 C LYS A 29 -7.365 -1.053 1.552 1.00 0.00 C ATOM 375 O LYS A 29 -6.775 -1.788 2.343 1.00 0.00 O ATOM 376 CB LYS A 29 -5.097 -0.157 0.993 1.00 0.00 C ATOM 377 CG LYS A 29 -4.270 0.930 0.327 1.00 0.00 C ATOM 378 CD LYS A 29 -4.402 0.883 -1.186 1.00 0.00 C ATOM 379 CE LYS A 29 -3.322 1.710 -1.866 1.00 0.00 C ATOM 380 NZ LYS A 29 -3.801 2.305 -3.144 1.00 0.00 N ATOM 0 H LYS A 29 -6.851 1.681 1.822 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.758 -0.318 -0.361 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.952 -0.103 2.072 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.729 -1.131 0.671 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -4.590 1.906 0.691 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.223 0.814 0.606 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -4.338 -0.151 -1.526 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.384 1.254 -1.478 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -2.997 2.505 -1.195 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -2.453 1.082 -2.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -3.036 2.861 -3.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -4.088 1.546 -3.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -4.615 2.925 -2.955 1.00 0.00 H new ATOM 390 N GLN A 30 -8.685 -1.066 1.395 1.00 0.00 N ATOM 391 CA GLN A 30 -9.534 -1.968 2.164 1.00 0.00 C ATOM 392 C GLN A 30 -8.824 -3.290 2.433 1.00 0.00 C ATOM 393 O GLN A 30 -8.526 -4.047 1.508 1.00 0.00 O ATOM 394 CB GLN A 30 -10.847 -2.222 1.420 1.00 0.00 C ATOM 395 CG GLN A 30 -12.083 -2.027 2.283 1.00 0.00 C ATOM 396 CD GLN A 30 -13.351 -1.886 1.463 1.00 0.00 C ATOM 397 OE1 GLN A 30 -13.302 -1.564 0.276 1.00 0.00 O ATOM 398 NE2 GLN A 30 -14.494 -2.126 2.094 1.00 0.00 N ATOM 0 H GLN A 30 -9.189 -0.464 0.744 1.00 0.00 H new ATOM 0 HA GLN A 30 -9.751 -1.494 3.121 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -10.904 -1.552 0.562 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -10.843 -3.240 1.030 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -12.186 -2.874 2.961 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -11.954 -1.138 2.901 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -14.487 -2.390 3.079 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -15.379 -2.046 1.594 1.00 0.00 H new ATOM 405 N THR A 31 -8.553 -3.562 3.705 1.00 0.00 N ATOM 406 CA THR A 31 -7.876 -4.792 4.096 1.00 0.00 C ATOM 407 C THR A 31 -8.806 -5.994 3.977 1.00 0.00 C ATOM 408 O THR A 31 -9.734 -5.994 3.169 1.00 0.00 O ATOM 409 CB THR A 31 -7.347 -4.708 5.540 1.00 0.00 C ATOM 410 OG1 THR A 31 -8.422 -4.892 6.468 1.00 0.00 O ATOM 411 CG2 THR A 31 -6.677 -3.365 5.793 1.00 0.00 C ATOM 0 H THR A 31 -8.792 -2.947 4.483 1.00 0.00 H new ATOM 0 HA THR A 31 -7.034 -4.919 3.415 1.00 0.00 H new ATOM 0 HB THR A 31 -6.609 -5.498 5.679 1.00 0.00 H new ATOM 0 HG1 THR A 31 -8.206 -4.442 7.312 1.00 0.00 H new ATOM 0 HG21 THR A 31 -6.311 -3.328 6.819 1.00 0.00 H new ATOM 0 HG22 THR A 31 -5.841 -3.240 5.105 1.00 0.00 H new ATOM 0 HG23 THR A 31 -7.399 -2.563 5.636 1.00 0.00 H new ATOM 419 N GLU A 32 -8.551 -7.016 4.789 1.00 0.00 N ATOM 420 CA GLU A 32 -9.368 -8.225 4.773 1.00 0.00 C ATOM 421 C GLU A 32 -10.336 -8.242 5.952 1.00 0.00 C ATOM 422 O GLU A 32 -10.934 -9.273 6.264 1.00 0.00 O ATOM 423 CB GLU A 32 -8.478 -9.469 4.811 1.00 0.00 C ATOM 424 CG GLU A 32 -9.101 -10.683 4.144 1.00 0.00 C ATOM 425 CD GLU A 32 -8.734 -11.982 4.837 1.00 0.00 C ATOM 426 OE1 GLU A 32 -9.440 -12.365 5.793 1.00 0.00 O ATOM 427 OE2 GLU A 32 -7.740 -12.613 4.423 1.00 0.00 O ATOM 0 H GLU A 32 -7.787 -7.031 5.465 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.947 -8.230 3.850 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -7.530 -9.243 4.322 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.251 -9.712 5.849 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -10.185 -10.573 4.137 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -8.779 -10.727 3.104 1.00 0.00 H new ATOM 432 N CYS A 33 -10.485 -7.094 6.605 1.00 0.00 N ATOM 433 CA CYS A 33 -11.380 -6.976 7.751 1.00 0.00 C ATOM 434 C CYS A 33 -12.528 -6.018 7.448 1.00 0.00 C ATOM 435 O CYS A 33 -13.633 -6.176 7.962 1.00 0.00 O ATOM 436 CB CYS A 33 -10.606 -6.491 8.978 1.00 0.00 C ATOM 437 SG CYS A 33 -10.187 -4.718 8.941 1.00 0.00 S ATOM 0 H CYS A 33 -9.998 -6.232 6.360 1.00 0.00 H new ATOM 0 HA CYS A 33 -11.798 -7.961 7.958 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -11.197 -6.695 9.871 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -9.686 -7.069 9.066 1.00 0.00 H new ATOM 441 N GLY A 34 -12.256 -5.024 6.608 1.00 0.00 N ATOM 442 CA GLY A 34 -13.275 -4.055 6.251 1.00 0.00 C ATOM 443 C GLY A 34 -12.775 -2.627 6.340 1.00 0.00 C ATOM 444 O GLY A 34 -12.970 -1.834 5.418 1.00 0.00 O ATOM 0 H GLY A 34 -11.348 -4.873 6.168 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -13.620 -4.253 5.236 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -14.135 -4.177 6.910 1.00 0.00 H new ATOM 448 N HIS A 35 -12.131 -2.296 7.454 1.00 0.00 N ATOM 449 CA HIS A 35 -11.602 -0.952 7.662 1.00 0.00 C ATOM 450 C HIS A 35 -10.815 -0.485 6.441 1.00 0.00 C ATOM 451 O HIS A 35 -10.647 -1.229 5.475 1.00 0.00 O ATOM 452 CB HIS A 35 -10.710 -0.918 8.902 1.00 0.00 C ATOM 453 CG HIS A 35 -11.458 -1.120 10.184 1.00 0.00 C ATOM 454 ND1 HIS A 35 -11.566 -2.345 10.808 1.00 0.00 N ATOM 455 CD2 HIS A 35 -12.137 -0.243 10.960 1.00 0.00 C ATOM 456 CE1 HIS A 35 -12.279 -2.213 11.911 1.00 0.00 C ATOM 457 NE2 HIS A 35 -12.638 -0.948 12.027 1.00 0.00 N ATOM 0 H HIS A 35 -11.962 -2.940 8.227 1.00 0.00 H new ATOM 0 HA HIS A 35 -12.443 -0.275 7.812 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -9.946 -1.690 8.811 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -10.192 0.040 8.940 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -12.262 0.814 10.775 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -12.527 -3.006 12.602 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -13.197 -0.558 12.786 1.00 0.00 H new ATOM 464 N ARG A 36 -10.333 0.753 6.493 1.00 0.00 N ATOM 465 CA ARG A 36 -9.565 1.320 5.390 1.00 0.00 C ATOM 466 C ARG A 36 -8.407 2.165 5.913 1.00 0.00 C ATOM 467 O ARG A 36 -8.448 2.667 7.037 1.00 0.00 O ATOM 468 CB ARG A 36 -10.469 2.172 4.497 1.00 0.00 C ATOM 469 CG ARG A 36 -11.529 1.369 3.761 1.00 0.00 C ATOM 470 CD ARG A 36 -12.799 2.179 3.556 1.00 0.00 C ATOM 471 NE ARG A 36 -13.999 1.357 3.690 1.00 0.00 N ATOM 472 CZ ARG A 36 -15.227 1.858 3.774 1.00 0.00 C ATOM 473 NH1 ARG A 36 -15.415 3.169 3.738 1.00 0.00 N ATOM 474 NH2 ARG A 36 -16.269 1.046 3.895 1.00 0.00 N ATOM 0 H ARG A 36 -10.460 1.382 7.286 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.157 0.497 4.803 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -10.959 2.930 5.108 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -9.853 2.699 3.768 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -11.139 1.050 2.794 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -11.760 0.465 4.325 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -12.833 2.991 4.282 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -12.782 2.637 2.567 1.00 0.00 H new ATOM 0 HE ARG A 36 -13.888 0.343 3.721 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -14.616 3.796 3.646 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -16.359 3.551 3.803 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -16.128 0.036 3.924 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -17.211 1.431 3.959 1.00 0.00 H new ATOM 485 N PHE A 37 -7.375 2.319 5.091 1.00 0.00 N ATOM 486 CA PHE A 37 -6.204 3.101 5.471 1.00 0.00 C ATOM 487 C PHE A 37 -5.611 3.815 4.259 1.00 0.00 C ATOM 488 O PHE A 37 -5.900 3.464 3.115 1.00 0.00 O ATOM 489 CB PHE A 37 -5.148 2.200 6.114 1.00 0.00 C ATOM 490 CG PHE A 37 -5.490 1.781 7.516 1.00 0.00 C ATOM 491 CD1 PHE A 37 -6.335 0.708 7.745 1.00 0.00 C ATOM 492 CD2 PHE A 37 -4.966 2.462 8.602 1.00 0.00 C ATOM 493 CE1 PHE A 37 -6.651 0.320 9.034 1.00 0.00 C ATOM 494 CE2 PHE A 37 -5.278 2.079 9.894 1.00 0.00 C ATOM 495 CZ PHE A 37 -6.123 1.007 10.109 1.00 0.00 C ATOM 0 H PHE A 37 -7.325 1.913 4.157 1.00 0.00 H new ATOM 0 HA PHE A 37 -6.519 3.852 6.195 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -5.018 1.310 5.499 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -4.192 2.723 6.123 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -6.752 0.168 6.908 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -4.306 3.301 8.438 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -7.310 -0.519 9.200 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -4.862 2.617 10.733 1.00 0.00 H new ATOM 0 HZ PHE A 37 -6.370 0.707 11.117 1.00 0.00 H new ATOM 504 N CYS A 38 -4.780 4.818 4.521 1.00 0.00 N ATOM 505 CA CYS A 38 -4.146 5.584 3.454 1.00 0.00 C ATOM 506 C CYS A 38 -2.862 4.904 2.987 1.00 0.00 C ATOM 507 O CYS A 38 -2.397 3.944 3.600 1.00 0.00 O ATOM 508 CB CYS A 38 -3.839 7.005 3.930 1.00 0.00 C ATOM 509 SG CYS A 38 -2.478 7.107 5.137 1.00 0.00 S ATOM 0 H CYS A 38 -4.530 5.120 5.463 1.00 0.00 H new ATOM 0 HA CYS A 38 -4.839 5.632 2.614 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -3.591 7.621 3.065 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -4.738 7.430 4.376 1.00 0.00 H new ATOM 513 N GLU A 39 -2.294 5.409 1.895 1.00 0.00 N ATOM 514 CA GLU A 39 -1.064 4.851 1.346 1.00 0.00 C ATOM 515 C GLU A 39 0.009 4.732 2.424 1.00 0.00 C ATOM 516 O GLU A 39 0.468 3.635 2.740 1.00 0.00 O ATOM 517 CB GLU A 39 -0.553 5.719 0.195 1.00 0.00 C ATOM 518 CG GLU A 39 -0.904 5.175 -1.180 1.00 0.00 C ATOM 519 CD GLU A 39 0.218 5.360 -2.184 1.00 0.00 C ATOM 520 OE1 GLU A 39 1.330 4.853 -1.929 1.00 0.00 O ATOM 521 OE2 GLU A 39 -0.016 6.011 -3.223 1.00 0.00 O ATOM 0 H GLU A 39 -2.666 6.203 1.374 1.00 0.00 H new ATOM 0 HA GLU A 39 -1.286 3.853 0.968 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -0.967 6.722 0.296 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.530 5.812 0.274 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -1.141 4.114 -1.097 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.801 5.675 -1.546 1.00 0.00 H new ATOM 526 N SER A 40 0.405 5.871 2.984 1.00 0.00 N ATOM 527 CA SER A 40 1.427 5.897 4.024 1.00 0.00 C ATOM 528 C SER A 40 1.133 4.856 5.101 1.00 0.00 C ATOM 529 O SER A 40 1.700 3.763 5.095 1.00 0.00 O ATOM 530 CB SER A 40 1.510 7.289 4.652 1.00 0.00 C ATOM 531 OG SER A 40 2.204 7.250 5.888 1.00 0.00 O ATOM 0 H SER A 40 0.034 6.788 2.735 1.00 0.00 H new ATOM 0 HA SER A 40 2.385 5.657 3.564 1.00 0.00 H new ATOM 0 HB2 SER A 40 2.016 7.970 3.968 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.505 7.682 4.808 1.00 0.00 H new ATOM 0 HG SER A 40 2.245 8.152 6.269 1.00 0.00 H new ATOM 536 N CYS A 41 0.243 5.204 6.024 1.00 0.00 N ATOM 537 CA CYS A 41 -0.127 4.304 7.108 1.00 0.00 C ATOM 538 C CYS A 41 -0.106 2.851 6.640 1.00 0.00 C ATOM 539 O CYS A 41 0.506 1.993 7.274 1.00 0.00 O ATOM 540 CB CYS A 41 -1.516 4.659 7.642 1.00 0.00 C ATOM 541 SG CYS A 41 -1.600 6.273 8.480 1.00 0.00 S ATOM 0 H CYS A 41 -0.236 6.105 6.042 1.00 0.00 H new ATOM 0 HA CYS A 41 0.603 4.420 7.909 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -2.224 4.655 6.813 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -1.835 3.883 8.338 1.00 0.00 H new ATOM 545 N MET A 42 -0.779 2.585 5.525 1.00 0.00 N ATOM 546 CA MET A 42 -0.836 1.238 4.970 1.00 0.00 C ATOM 547 C MET A 42 0.562 0.645 4.837 1.00 0.00 C ATOM 548 O MET A 42 0.840 -0.438 5.352 1.00 0.00 O ATOM 549 CB MET A 42 -1.528 1.254 3.605 1.00 0.00 C ATOM 550 CG MET A 42 -1.428 -0.066 2.858 1.00 0.00 C ATOM 551 SD MET A 42 -2.849 -1.137 3.144 1.00 0.00 S ATOM 552 CE MET A 42 -3.131 -0.866 4.892 1.00 0.00 C ATOM 0 H MET A 42 -1.292 3.284 4.988 1.00 0.00 H new ATOM 0 HA MET A 42 -1.412 0.615 5.654 1.00 0.00 H new ATOM 0 HB2 MET A 42 -2.580 1.505 3.743 1.00 0.00 H new ATOM 0 HB3 MET A 42 -1.089 2.042 2.993 1.00 0.00 H new ATOM 0 HG2 MET A 42 -1.336 0.132 1.790 1.00 0.00 H new ATOM 0 HG3 MET A 42 -0.520 -0.585 3.165 1.00 0.00 H new ATOM 0 HE1 MET A 42 -4.044 -1.378 5.197 1.00 0.00 H new ATOM 0 HE2 MET A 42 -2.288 -1.257 5.462 1.00 0.00 H new ATOM 0 HE3 MET A 42 -3.233 0.202 5.083 1.00 0.00 H new ATOM 560 N ALA A 43 1.440 1.361 4.142 1.00 0.00 N ATOM 561 CA ALA A 43 2.811 0.906 3.943 1.00 0.00 C ATOM 562 C ALA A 43 3.529 0.727 5.276 1.00 0.00 C ATOM 563 O ALA A 43 4.512 -0.007 5.369 1.00 0.00 O ATOM 564 CB ALA A 43 3.569 1.885 3.060 1.00 0.00 C ATOM 0 H ALA A 43 1.226 2.259 3.707 1.00 0.00 H new ATOM 0 HA ALA A 43 2.777 -0.063 3.446 1.00 0.00 H new ATOM 0 HB1 ALA A 43 4.591 1.533 2.920 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.075 1.959 2.091 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.585 2.866 3.535 1.00 0.00 H new ATOM 570 N ALA A 44 3.031 1.404 6.307 1.00 0.00 N ATOM 571 CA ALA A 44 3.626 1.319 7.634 1.00 0.00 C ATOM 572 C ALA A 44 3.251 0.009 8.321 1.00 0.00 C ATOM 573 O ALA A 44 4.122 -0.748 8.752 1.00 0.00 O ATOM 574 CB ALA A 44 3.191 2.505 8.484 1.00 0.00 C ATOM 0 H ALA A 44 2.218 2.017 6.248 1.00 0.00 H new ATOM 0 HA ALA A 44 4.710 1.343 7.522 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.643 2.429 9.473 1.00 0.00 H new ATOM 0 HB2 ALA A 44 3.513 3.431 8.008 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.105 2.505 8.580 1.00 0.00 H new ATOM 580 N LEU A 45 1.953 -0.251 8.420 1.00 0.00 N ATOM 581 CA LEU A 45 1.462 -1.469 9.054 1.00 0.00 C ATOM 582 C LEU A 45 2.080 -2.706 8.409 1.00 0.00 C ATOM 583 O LEU A 45 2.654 -3.555 9.092 1.00 0.00 O ATOM 584 CB LEU A 45 -0.062 -1.539 8.961 1.00 0.00 C ATOM 585 CG LEU A 45 -0.827 -0.366 9.575 1.00 0.00 C ATOM 586 CD1 LEU A 45 -2.310 -0.468 9.253 1.00 0.00 C ATOM 587 CD2 LEU A 45 -0.609 -0.316 11.080 1.00 0.00 C ATOM 0 H LEU A 45 1.220 0.366 8.069 1.00 0.00 H new ATOM 0 HA LEU A 45 1.754 -1.445 10.104 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.339 -1.616 7.910 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.394 -2.457 9.446 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.445 0.558 9.141 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.838 0.375 9.698 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.449 -0.454 8.172 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.707 -1.399 9.658 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.161 0.525 11.500 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.963 -1.243 11.530 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.454 -0.194 11.290 1.00 0.00 H new ATOM 598 N LEU A 46 1.961 -2.799 7.089 1.00 0.00 N ATOM 599 CA LEU A 46 2.509 -3.931 6.350 1.00 0.00 C ATOM 600 C LEU A 46 3.968 -4.170 6.724 1.00 0.00 C ATOM 601 O LEU A 46 4.426 -5.312 6.781 1.00 0.00 O ATOM 602 CB LEU A 46 2.391 -3.688 4.844 1.00 0.00 C ATOM 603 CG LEU A 46 0.982 -3.415 4.318 1.00 0.00 C ATOM 604 CD1 LEU A 46 1.027 -3.024 2.848 1.00 0.00 C ATOM 605 CD2 LEU A 46 0.091 -4.632 4.521 1.00 0.00 C ATOM 0 H LEU A 46 1.490 -2.105 6.509 1.00 0.00 H new ATOM 0 HA LEU A 46 1.934 -4.818 6.615 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.026 -2.842 4.582 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.790 -4.559 4.323 1.00 0.00 H new ATOM 0 HG LEU A 46 0.560 -2.583 4.881 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.015 -2.834 2.491 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.629 -2.123 2.729 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.469 -3.835 2.269 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.908 -4.419 4.141 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.510 -5.483 3.984 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.032 -4.867 5.584 1.00 0.00 H new ATOM 616 N SER A 47 4.694 -3.087 6.981 1.00 0.00 N ATOM 617 CA SER A 47 6.102 -3.178 7.349 1.00 0.00 C ATOM 618 C SER A 47 6.256 -3.436 8.844 1.00 0.00 C ATOM 619 O SER A 47 7.304 -3.158 9.429 1.00 0.00 O ATOM 620 CB SER A 47 6.836 -1.893 6.963 1.00 0.00 C ATOM 621 OG SER A 47 8.157 -2.170 6.532 1.00 0.00 O ATOM 0 H SER A 47 4.330 -2.135 6.941 1.00 0.00 H new ATOM 0 HA SER A 47 6.541 -4.015 6.806 1.00 0.00 H new ATOM 0 HB2 SER A 47 6.290 -1.383 6.169 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.863 -1.216 7.817 1.00 0.00 H new ATOM 0 HG SER A 47 8.604 -1.332 6.290 1.00 0.00 H new ATOM 626 N SER A 48 5.205 -3.970 9.459 1.00 0.00 N ATOM 627 CA SER A 48 5.221 -4.263 10.887 1.00 0.00 C ATOM 628 C SER A 48 5.352 -5.763 11.133 1.00 0.00 C ATOM 629 O SER A 48 5.155 -6.239 12.250 1.00 0.00 O ATOM 630 CB SER A 48 3.950 -3.734 11.553 1.00 0.00 C ATOM 631 OG SER A 48 4.070 -3.745 12.964 1.00 0.00 O ATOM 0 H SER A 48 4.331 -4.209 8.990 1.00 0.00 H new ATOM 0 HA SER A 48 6.086 -3.764 11.325 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.752 -2.719 11.210 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.098 -4.344 11.253 1.00 0.00 H new ATOM 0 HG SER A 48 4.478 -4.588 13.251 1.00 0.00 H new ATOM 636 N SER A 49 5.683 -6.503 10.080 1.00 0.00 N ATOM 637 CA SER A 49 5.835 -7.949 10.178 1.00 0.00 C ATOM 638 C SER A 49 4.475 -8.632 10.297 1.00 0.00 C ATOM 639 O SER A 49 4.081 -9.410 9.429 1.00 0.00 O ATOM 640 CB SER A 49 6.707 -8.310 11.382 1.00 0.00 C ATOM 641 OG SER A 49 7.811 -9.108 10.991 1.00 0.00 O ATOM 0 H SER A 49 5.851 -6.124 9.148 1.00 0.00 H new ATOM 0 HA SER A 49 6.320 -8.301 9.268 1.00 0.00 H new ATOM 0 HB2 SER A 49 7.065 -7.399 11.862 1.00 0.00 H new ATOM 0 HB3 SER A 49 6.110 -8.846 12.120 1.00 0.00 H new ATOM 0 HG SER A 49 8.354 -9.324 11.778 1.00 0.00 H new ATOM 646 N SER A 50 3.764 -8.333 11.380 1.00 0.00 N ATOM 647 CA SER A 50 2.450 -8.920 11.616 1.00 0.00 C ATOM 648 C SER A 50 1.359 -7.855 11.548 1.00 0.00 C ATOM 649 O SER A 50 0.731 -7.509 12.549 1.00 0.00 O ATOM 650 CB SER A 50 2.416 -9.615 12.978 1.00 0.00 C ATOM 651 OG SER A 50 3.597 -10.365 13.198 1.00 0.00 O ATOM 0 H SER A 50 4.075 -7.689 12.107 1.00 0.00 H new ATOM 0 HA SER A 50 2.263 -9.657 10.835 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.302 -8.871 13.766 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.549 -10.273 13.032 1.00 0.00 H new ATOM 0 HG SER A 50 3.551 -10.798 14.076 1.00 0.00 H new ATOM 656 N PRO A 51 1.128 -7.323 10.339 1.00 0.00 N ATOM 657 CA PRO A 51 0.113 -6.290 10.110 1.00 0.00 C ATOM 658 C PRO A 51 -1.305 -6.830 10.252 1.00 0.00 C ATOM 659 O PRO A 51 -1.690 -7.782 9.572 1.00 0.00 O ATOM 660 CB PRO A 51 0.376 -5.849 8.668 1.00 0.00 C ATOM 661 CG PRO A 51 1.027 -7.024 8.025 1.00 0.00 C ATOM 662 CD PRO A 51 1.839 -7.688 9.102 1.00 0.00 C ATOM 0 HA PRO A 51 0.183 -5.481 10.837 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -0.551 -5.583 8.160 1.00 0.00 H new ATOM 0 HB3 PRO A 51 1.021 -4.971 8.634 1.00 0.00 H new ATOM 0 HG2 PRO A 51 0.283 -7.709 7.619 1.00 0.00 H new ATOM 0 HG3 PRO A 51 1.660 -6.713 7.194 1.00 0.00 H new ATOM 0 HD2 PRO A 51 1.880 -8.769 8.966 1.00 0.00 H new ATOM 0 HD3 PRO A 51 2.868 -7.328 9.109 1.00 0.00 H new ATOM 667 N LYS A 52 -2.082 -6.216 11.139 1.00 0.00 N ATOM 668 CA LYS A 52 -3.460 -6.634 11.369 1.00 0.00 C ATOM 669 C LYS A 52 -4.438 -5.553 10.918 1.00 0.00 C ATOM 670 O LYS A 52 -5.140 -5.715 9.919 1.00 0.00 O ATOM 671 CB LYS A 52 -3.678 -6.947 12.850 1.00 0.00 C ATOM 672 CG LYS A 52 -2.515 -7.683 13.494 1.00 0.00 C ATOM 673 CD LYS A 52 -2.453 -7.426 14.990 1.00 0.00 C ATOM 674 CE LYS A 52 -1.049 -7.642 15.534 1.00 0.00 C ATOM 675 NZ LYS A 52 -1.006 -8.737 16.543 1.00 0.00 N ATOM 0 H LYS A 52 -1.780 -5.427 11.710 1.00 0.00 H new ATOM 0 HA LYS A 52 -3.644 -7.534 10.782 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.850 -6.015 13.388 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.581 -7.548 12.957 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.614 -8.753 13.311 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.581 -7.366 13.030 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -2.772 -6.405 15.199 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -3.149 -8.089 15.503 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.374 -7.879 14.712 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.689 -6.718 15.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.032 -8.852 16.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.631 -8.499 17.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.325 -9.625 16.106 1.00 0.00 H new ATOM 685 N CYS A 53 -4.479 -4.451 11.659 1.00 0.00 N ATOM 686 CA CYS A 53 -5.370 -3.343 11.335 1.00 0.00 C ATOM 687 C CYS A 53 -5.599 -2.456 12.555 1.00 0.00 C ATOM 688 O CYS A 53 -6.425 -2.763 13.415 1.00 0.00 O ATOM 689 CB CYS A 53 -6.708 -3.873 10.818 1.00 0.00 C ATOM 690 SG CYS A 53 -8.088 -2.694 10.981 1.00 0.00 S ATOM 0 H CYS A 53 -3.905 -4.301 12.489 1.00 0.00 H new ATOM 0 HA CYS A 53 -4.898 -2.745 10.556 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -6.598 -4.144 9.768 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -6.958 -4.786 11.358 1.00 0.00 H new ATOM 694 N THR A 54 -4.862 -1.351 12.624 1.00 0.00 N ATOM 695 CA THR A 54 -4.982 -0.419 13.737 1.00 0.00 C ATOM 696 C THR A 54 -6.416 -0.363 14.254 1.00 0.00 C ATOM 697 O THR A 54 -6.648 -0.280 15.460 1.00 0.00 O ATOM 698 CB THR A 54 -4.539 1.000 13.333 1.00 0.00 C ATOM 699 OG1 THR A 54 -3.445 1.424 14.154 1.00 0.00 O ATOM 700 CG2 THR A 54 -5.690 1.985 13.465 1.00 0.00 C ATOM 0 H THR A 54 -4.175 -1.080 11.920 1.00 0.00 H new ATOM 0 HA THR A 54 -4.326 -0.785 14.527 1.00 0.00 H new ATOM 0 HB THR A 54 -4.222 0.974 12.290 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.168 2.326 13.890 1.00 0.00 H new ATOM 0 HG21 THR A 54 -5.353 2.980 13.174 1.00 0.00 H new ATOM 0 HG22 THR A 54 -6.510 1.676 12.816 1.00 0.00 H new ATOM 0 HG23 THR A 54 -6.034 2.006 14.499 1.00 0.00 H new ATOM 708 N ALA A 55 -7.374 -0.410 13.334 1.00 0.00 N ATOM 709 CA ALA A 55 -8.785 -0.367 13.698 1.00 0.00 C ATOM 710 C ALA A 55 -9.129 -1.470 14.693 1.00 0.00 C ATOM 711 O ALA A 55 -9.288 -1.214 15.887 1.00 0.00 O ATOM 712 CB ALA A 55 -9.653 -0.487 12.455 1.00 0.00 C ATOM 0 H ALA A 55 -7.199 -0.478 12.331 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.983 0.592 14.176 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -10.704 -0.454 12.741 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.435 0.339 11.778 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.443 -1.432 11.954 1.00 0.00 H new ATOM 718 N CYS A 56 -9.243 -2.696 14.195 1.00 0.00 N ATOM 719 CA CYS A 56 -9.569 -3.838 15.040 1.00 0.00 C ATOM 720 C CYS A 56 -8.388 -4.799 15.137 1.00 0.00 C ATOM 721 O CYS A 56 -8.231 -5.507 16.131 1.00 0.00 O ATOM 722 CB CYS A 56 -10.794 -4.573 14.491 1.00 0.00 C ATOM 723 SG CYS A 56 -10.594 -5.179 12.785 1.00 0.00 S ATOM 0 H CYS A 56 -9.114 -2.924 13.209 1.00 0.00 H new ATOM 0 HA CYS A 56 -9.794 -3.465 16.039 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -11.019 -5.418 15.141 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -11.653 -3.904 14.529 1.00 0.00 H new ATOM 727 N GLN A 57 -7.559 -4.816 14.097 1.00 0.00 N ATOM 728 CA GLN A 57 -6.392 -5.690 14.066 1.00 0.00 C ATOM 729 C GLN A 57 -6.772 -7.089 13.592 1.00 0.00 C ATOM 730 O GLN A 57 -7.123 -7.951 14.396 1.00 0.00 O ATOM 731 CB GLN A 57 -5.746 -5.764 15.450 1.00 0.00 C ATOM 732 CG GLN A 57 -5.796 -4.453 16.216 1.00 0.00 C ATOM 733 CD GLN A 57 -4.418 -3.919 16.552 1.00 0.00 C ATOM 734 OE1 GLN A 57 -3.862 -4.223 17.608 1.00 0.00 O ATOM 735 NE2 GLN A 57 -3.857 -3.119 15.653 1.00 0.00 N ATOM 0 H GLN A 57 -7.674 -4.235 13.266 1.00 0.00 H new ATOM 0 HA GLN A 57 -5.674 -5.271 13.361 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -6.247 -6.536 16.035 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -4.706 -6.072 15.340 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -6.334 -3.712 15.625 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -6.360 -4.597 17.138 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -4.353 -2.893 14.791 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -2.930 -2.730 15.824 1.00 0.00 H new ATOM 742 N GLU A 58 -6.699 -7.305 12.283 1.00 0.00 N ATOM 743 CA GLU A 58 -7.037 -8.600 11.703 1.00 0.00 C ATOM 744 C GLU A 58 -5.920 -9.097 10.790 1.00 0.00 C ATOM 745 O GLU A 58 -5.250 -10.084 11.093 1.00 0.00 O ATOM 746 CB GLU A 58 -8.348 -8.506 10.918 1.00 0.00 C ATOM 747 CG GLU A 58 -8.352 -9.328 9.640 1.00 0.00 C ATOM 748 CD GLU A 58 -9.743 -9.779 9.241 1.00 0.00 C ATOM 749 OE1 GLU A 58 -10.704 -9.453 9.970 1.00 0.00 O ATOM 750 OE2 GLU A 58 -9.873 -10.458 8.201 1.00 0.00 O ATOM 0 H GLU A 58 -6.409 -6.601 11.604 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.160 -9.313 12.519 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.168 -8.837 11.555 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -8.539 -7.462 10.669 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -7.920 -8.738 8.832 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -7.715 -10.202 9.773 1.00 0.00 H new ATOM 755 N SER A 59 -5.726 -8.404 9.673 1.00 0.00 N ATOM 756 CA SER A 59 -4.694 -8.777 8.712 1.00 0.00 C ATOM 757 C SER A 59 -4.639 -7.780 7.559 1.00 0.00 C ATOM 758 O SER A 59 -5.653 -7.500 6.919 1.00 0.00 O ATOM 759 CB SER A 59 -4.952 -10.184 8.174 1.00 0.00 C ATOM 760 OG SER A 59 -3.890 -11.062 8.508 1.00 0.00 O ATOM 0 H SER A 59 -6.269 -7.582 9.411 1.00 0.00 H new ATOM 0 HA SER A 59 -3.733 -8.764 9.226 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.887 -10.567 8.583 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.070 -10.146 7.091 1.00 0.00 H new ATOM 0 HG SER A 59 -4.081 -11.956 8.154 1.00 0.00 H new ATOM 765 N ILE A 60 -3.448 -7.249 7.300 1.00 0.00 N ATOM 766 CA ILE A 60 -3.261 -6.284 6.223 1.00 0.00 C ATOM 767 C ILE A 60 -2.206 -6.764 5.233 1.00 0.00 C ATOM 768 O ILE A 60 -1.012 -6.759 5.530 1.00 0.00 O ATOM 769 CB ILE A 60 -2.847 -4.905 6.769 1.00 0.00 C ATOM 770 CG1 ILE A 60 -3.371 -4.717 8.194 1.00 0.00 C ATOM 771 CG2 ILE A 60 -3.361 -3.799 5.860 1.00 0.00 C ATOM 772 CD1 ILE A 60 -2.791 -3.510 8.897 1.00 0.00 C ATOM 0 H ILE A 60 -2.599 -7.471 7.821 1.00 0.00 H new ATOM 0 HA ILE A 60 -4.219 -6.191 5.712 1.00 0.00 H new ATOM 0 HB ILE A 60 -1.759 -4.853 6.793 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.457 -4.623 8.164 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.145 -5.610 8.776 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -3.060 -2.830 6.259 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -2.943 -3.925 4.861 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -4.449 -3.848 5.807 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.207 -3.439 9.902 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.707 -3.611 8.959 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -3.040 -2.608 8.337 1.00 0.00 H new ATOM 783 N VAL A 61 -2.656 -7.179 4.052 1.00 0.00 N ATOM 784 CA VAL A 61 -1.751 -7.659 3.015 1.00 0.00 C ATOM 785 C VAL A 61 -2.061 -7.010 1.671 1.00 0.00 C ATOM 786 O VAL A 61 -3.202 -7.030 1.207 1.00 0.00 O ATOM 787 CB VAL A 61 -1.834 -9.190 2.864 1.00 0.00 C ATOM 788 CG1 VAL A 61 -1.122 -9.641 1.598 1.00 0.00 C ATOM 789 CG2 VAL A 61 -1.247 -9.878 4.088 1.00 0.00 C ATOM 0 H VAL A 61 -3.642 -7.192 3.790 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.742 -7.385 3.323 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.883 -9.473 2.783 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.191 -10.725 1.508 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.590 -9.175 0.731 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.073 -9.347 1.646 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.314 -10.959 3.965 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.202 -9.589 4.201 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.804 -9.579 4.976 1.00 0.00 H new ATOM 799 N LYS A 62 -1.038 -6.435 1.048 1.00 0.00 N ATOM 800 CA LYS A 62 -1.199 -5.780 -0.245 1.00 0.00 C ATOM 801 C LYS A 62 -1.950 -6.681 -1.221 1.00 0.00 C ATOM 802 O LYS A 62 -2.779 -6.211 -2.001 1.00 0.00 O ATOM 803 CB LYS A 62 0.167 -5.408 -0.824 1.00 0.00 C ATOM 804 CG LYS A 62 1.181 -6.537 -0.764 1.00 0.00 C ATOM 805 CD LYS A 62 2.583 -6.015 -0.499 1.00 0.00 C ATOM 806 CE LYS A 62 3.169 -5.342 -1.731 1.00 0.00 C ATOM 807 NZ LYS A 62 4.658 -5.375 -1.726 1.00 0.00 N ATOM 0 H LYS A 62 -0.088 -6.409 1.418 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.782 -4.871 -0.095 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.041 -5.099 -1.862 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.560 -4.548 -0.281 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.899 -7.239 0.021 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.169 -7.088 -1.704 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.558 -5.305 0.328 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.227 -6.839 -0.192 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.798 -5.839 -2.627 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.829 -4.307 -1.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.018 -4.907 -2.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.013 -4.879 -0.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 4.983 -6.363 -1.709 1.00 0.00 H new ATOM 817 N ASP A 63 -1.655 -7.975 -1.171 1.00 0.00 N ATOM 818 CA ASP A 63 -2.304 -8.941 -2.050 1.00 0.00 C ATOM 819 C ASP A 63 -3.807 -8.977 -1.800 1.00 0.00 C ATOM 820 O ASP A 63 -4.605 -8.919 -2.737 1.00 0.00 O ATOM 821 CB ASP A 63 -1.706 -10.334 -1.841 1.00 0.00 C ATOM 822 CG ASP A 63 -1.307 -10.994 -3.147 1.00 0.00 C ATOM 823 OD1 ASP A 63 -0.267 -10.601 -3.716 1.00 0.00 O ATOM 824 OD2 ASP A 63 -2.035 -11.902 -3.599 1.00 0.00 O ATOM 0 H ASP A 63 -0.971 -8.379 -0.531 1.00 0.00 H new ATOM 0 HA ASP A 63 -2.132 -8.631 -3.081 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.832 -10.258 -1.194 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -2.431 -10.964 -1.325 1.00 0.00 H new ATOM 828 N LYS A 64 -4.190 -9.076 -0.532 1.00 0.00 N ATOM 829 CA LYS A 64 -5.599 -9.120 -0.157 1.00 0.00 C ATOM 830 C LYS A 64 -6.224 -7.730 -0.228 1.00 0.00 C ATOM 831 O LYS A 64 -7.444 -7.593 -0.323 1.00 0.00 O ATOM 832 CB LYS A 64 -5.754 -9.689 1.254 1.00 0.00 C ATOM 833 CG LYS A 64 -4.860 -10.886 1.530 1.00 0.00 C ATOM 834 CD LYS A 64 -5.638 -12.190 1.467 1.00 0.00 C ATOM 835 CE LYS A 64 -4.787 -13.369 1.912 1.00 0.00 C ATOM 836 NZ LYS A 64 -4.351 -14.205 0.761 1.00 0.00 N ATOM 0 H LYS A 64 -3.543 -9.127 0.255 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.118 -9.769 -0.863 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.532 -8.906 1.979 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -6.793 -9.980 1.407 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -4.048 -10.910 0.803 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -4.403 -10.781 2.514 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -6.522 -12.118 2.101 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -5.989 -12.357 0.448 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -3.911 -13.003 2.447 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -5.354 -13.983 2.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -3.773 -14.998 1.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -5.187 -14.576 0.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -3.788 -13.627 0.105 1.00 0.00 H new ATOM 846 N VAL A 65 -5.381 -6.704 -0.185 1.00 0.00 N ATOM 847 CA VAL A 65 -5.852 -5.326 -0.247 1.00 0.00 C ATOM 848 C VAL A 65 -6.474 -5.018 -1.604 1.00 0.00 C ATOM 849 O VAL A 65 -5.869 -5.270 -2.647 1.00 0.00 O ATOM 850 CB VAL A 65 -4.708 -4.329 0.019 1.00 0.00 C ATOM 851 CG1 VAL A 65 -4.828 -3.121 -0.897 1.00 0.00 C ATOM 852 CG2 VAL A 65 -4.703 -3.902 1.480 1.00 0.00 C ATOM 0 H VAL A 65 -4.369 -6.801 -0.107 1.00 0.00 H new ATOM 0 HA VAL A 65 -6.609 -5.215 0.530 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.761 -4.824 -0.195 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -4.011 -2.428 -0.694 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -4.779 -3.446 -1.936 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.780 -2.622 -0.718 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.889 -3.198 1.650 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.652 -3.425 1.723 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.564 -4.777 2.114 1.00 0.00 H new ATOM 862 N PHE A 66 -7.685 -4.471 -1.584 1.00 0.00 N ATOM 863 CA PHE A 66 -8.389 -4.129 -2.814 1.00 0.00 C ATOM 864 C PHE A 66 -7.411 -3.665 -3.890 1.00 0.00 C ATOM 865 O PHE A 66 -7.475 -4.158 -5.015 1.00 0.00 O ATOM 866 CB PHE A 66 -9.426 -3.036 -2.547 1.00 0.00 C ATOM 867 CG PHE A 66 -8.990 -1.672 -3.001 1.00 0.00 C ATOM 868 CD1 PHE A 66 -7.699 -1.228 -2.765 1.00 0.00 C ATOM 869 CD2 PHE A 66 -9.873 -0.834 -3.664 1.00 0.00 C ATOM 870 CE1 PHE A 66 -7.296 0.026 -3.183 1.00 0.00 C ATOM 871 CE2 PHE A 66 -9.474 0.420 -4.084 1.00 0.00 C ATOM 872 CZ PHE A 66 -8.185 0.852 -3.842 1.00 0.00 C ATOM 0 H PHE A 66 -8.199 -4.255 -0.730 1.00 0.00 H new ATOM 0 HA PHE A 66 -8.898 -5.024 -3.172 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -10.356 -3.298 -3.051 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -9.641 -3.003 -1.479 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -7.000 -1.869 -2.249 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -10.883 -1.165 -3.854 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.286 0.360 -2.994 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -10.170 1.063 -4.602 1.00 0.00 H new ATOM 0 HZ PHE A 66 -7.873 1.833 -4.167 1.00 0.00 H new TER 881 PHE A 66 HETATM 882 ZN ZN A 201 -3.351 7.317 7.310 1.00 0.00 ZN HETATM 883 ZN ZN A 401 -10.139 -3.834 11.120 1.00 0.00 ZN