USER MOD reduce.3.24.130724 H: found=0, std=0, add=464, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 460 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 34 HIS HD1 : A 34 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 16 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 21 ASN : amide:sc= -5.31! C(o=-5.3!,f=-8.1!) USER MOD Set 2.1: A 10 THR OG1 : rot 141:sc= -0.453 USER MOD Set 2.2: A 31 GLN : amide:sc= 0 X(o=-0.45,f=-0.45) USER MOD Set 2.3: A 33 TYR OH : 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 180:sc= 0 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 13 GLN : amide:sc= -0.167 K(o=-0.17,f=-4.7!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl -156:sc= -0.863 (180deg=-1.92) USER MOD Single : A 28 LYS NZ :NH3+ -154:sc= -0.141 (180deg=-0.696) USER MOD Single : A 35 GLN : amide:sc= -3.69! C(o=-3.7!,f=-8.4!) USER MOD Single : A 38 HIS : no HE2:sc= -0.493 K(o=-0.49,f=-12!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc= -0.0284 X(o=-0.028,f=-0.028) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot -38:sc= -0.0971 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.075 X(o=-0.075,f=-0.16) USER MOD Single : A 62 THR OG1 : rot -53:sc= 0.35 USER MOD Single : A 63 THR OG1 : rot 6:sc= 1.22 USER MOD Single : A 64 THR OG1 : rot 51:sc= 0.4 USER MOD Single : A 65 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.014) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.895 6.654 -5.584 1.00 0.00 N ATOM 2 CA GLY A 1 -18.809 6.193 -4.211 1.00 0.00 C ATOM 3 C GLY A 1 -18.035 7.149 -3.325 1.00 0.00 C ATOM 4 O GLY A 1 -16.804 7.156 -3.334 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.433 5.966 -6.148 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.376 7.576 -5.611 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.938 6.751 -5.978 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -19.815 6.065 -3.810 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -18.330 5.214 -4.189 1.00 0.00 H new ATOM 8 N SER A 2 -18.758 7.960 -2.559 1.00 0.00 N ATOM 9 CA SER A 2 -18.131 8.930 -1.668 1.00 0.00 C ATOM 10 C SER A 2 -17.951 8.345 -0.270 1.00 0.00 C ATOM 11 O SER A 2 -16.867 8.416 0.309 1.00 0.00 O ATOM 12 CB SER A 2 -18.973 10.205 -1.595 1.00 0.00 C ATOM 13 OG SER A 2 -18.818 10.986 -2.767 1.00 0.00 O ATOM 0 H SER A 2 -19.778 7.965 -2.537 1.00 0.00 H new ATOM 0 HA SER A 2 -17.148 9.175 -2.070 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.023 9.944 -1.464 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.679 10.789 -0.723 1.00 0.00 H new ATOM 0 HG SER A 2 -19.368 11.794 -2.696 1.00 0.00 H new ATOM 19 N SER A 3 -19.021 7.766 0.265 1.00 0.00 N ATOM 20 CA SER A 3 -18.983 7.172 1.596 1.00 0.00 C ATOM 21 C SER A 3 -18.130 5.907 1.603 1.00 0.00 C ATOM 22 O SER A 3 -17.261 5.735 2.457 1.00 0.00 O ATOM 23 CB SER A 3 -20.400 6.847 2.073 1.00 0.00 C ATOM 24 OG SER A 3 -20.452 6.742 3.485 1.00 0.00 O ATOM 0 H SER A 3 -19.925 7.696 -0.203 1.00 0.00 H new ATOM 0 HA SER A 3 -18.534 7.896 2.277 1.00 0.00 H new ATOM 0 HB2 SER A 3 -21.087 7.624 1.738 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.733 5.912 1.623 1.00 0.00 H new ATOM 0 HG SER A 3 -21.368 6.536 3.764 1.00 0.00 H new ATOM 30 N GLY A 4 -18.385 5.024 0.642 1.00 0.00 N ATOM 31 CA GLY A 4 -17.633 3.786 0.554 1.00 0.00 C ATOM 32 C GLY A 4 -16.587 3.819 -0.543 1.00 0.00 C ATOM 33 O GLY A 4 -16.900 3.610 -1.715 1.00 0.00 O ATOM 0 H GLY A 4 -19.099 5.144 -0.077 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.146 3.591 1.510 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -18.320 2.960 0.372 1.00 0.00 H new ATOM 37 N SER A 5 -15.342 4.085 -0.163 1.00 0.00 N ATOM 38 CA SER A 5 -14.247 4.151 -1.124 1.00 0.00 C ATOM 39 C SER A 5 -14.212 2.899 -1.995 1.00 0.00 C ATOM 40 O SER A 5 -14.699 1.840 -1.598 1.00 0.00 O ATOM 41 CB SER A 5 -12.911 4.318 -0.397 1.00 0.00 C ATOM 42 OG SER A 5 -11.941 4.910 -1.243 1.00 0.00 O ATOM 0 H SER A 5 -15.066 4.258 0.804 1.00 0.00 H new ATOM 0 HA SER A 5 -14.413 5.015 -1.767 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.051 4.936 0.490 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.555 3.346 -0.055 1.00 0.00 H new ATOM 0 HG SER A 5 -11.097 5.008 -0.755 1.00 0.00 H new ATOM 48 N SER A 6 -13.634 3.028 -3.184 1.00 0.00 N ATOM 49 CA SER A 6 -13.538 1.909 -4.114 1.00 0.00 C ATOM 50 C SER A 6 -12.413 0.961 -3.709 1.00 0.00 C ATOM 51 O SER A 6 -11.547 1.313 -2.909 1.00 0.00 O ATOM 52 CB SER A 6 -13.303 2.419 -5.537 1.00 0.00 C ATOM 53 OG SER A 6 -11.993 2.938 -5.683 1.00 0.00 O ATOM 0 H SER A 6 -13.225 3.897 -3.527 1.00 0.00 H new ATOM 0 HA SER A 6 -14.480 1.362 -4.083 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.457 1.607 -6.248 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.033 3.193 -5.774 1.00 0.00 H new ATOM 0 HG SER A 6 -11.868 3.256 -6.602 1.00 0.00 H new ATOM 59 N GLY A 7 -12.434 -0.245 -4.269 1.00 0.00 N ATOM 60 CA GLY A 7 -11.411 -1.226 -3.954 1.00 0.00 C ATOM 61 C GLY A 7 -10.982 -2.025 -5.169 1.00 0.00 C ATOM 62 O GLY A 7 -10.897 -3.252 -5.115 1.00 0.00 O ATOM 0 H GLY A 7 -13.140 -0.560 -4.934 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.544 -0.719 -3.531 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.787 -1.906 -3.190 1.00 0.00 H new ATOM 66 N VAL A 8 -10.712 -1.329 -6.268 1.00 0.00 N ATOM 67 CA VAL A 8 -10.290 -1.981 -7.502 1.00 0.00 C ATOM 68 C VAL A 8 -9.011 -1.353 -8.046 1.00 0.00 C ATOM 69 O VAL A 8 -8.603 -0.275 -7.613 1.00 0.00 O ATOM 70 CB VAL A 8 -11.386 -1.905 -8.581 1.00 0.00 C ATOM 71 CG1 VAL A 8 -11.297 -3.099 -9.518 1.00 0.00 C ATOM 72 CG2 VAL A 8 -12.762 -1.823 -7.937 1.00 0.00 C ATOM 0 H VAL A 8 -10.778 -0.313 -6.329 1.00 0.00 H new ATOM 0 HA VAL A 8 -10.103 -3.027 -7.259 1.00 0.00 H new ATOM 0 HB VAL A 8 -11.231 -1.001 -9.169 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -12.079 -3.028 -10.274 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -10.322 -3.107 -10.005 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -11.426 -4.019 -8.948 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -13.525 -1.770 -8.714 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -12.930 -2.708 -7.323 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -12.819 -0.932 -7.312 1.00 0.00 H new ATOM 82 N CYS A 9 -8.383 -2.034 -8.999 1.00 0.00 N ATOM 83 CA CYS A 9 -7.150 -1.544 -9.603 1.00 0.00 C ATOM 84 C CYS A 9 -7.374 -0.191 -10.273 1.00 0.00 C ATOM 85 O CYS A 9 -8.511 0.233 -10.479 1.00 0.00 O ATOM 86 CB CYS A 9 -6.625 -2.552 -10.628 1.00 0.00 C ATOM 87 SG CYS A 9 -4.874 -2.315 -11.073 1.00 0.00 S ATOM 0 H CYS A 9 -8.708 -2.927 -9.370 1.00 0.00 H new ATOM 0 HA CYS A 9 -6.410 -1.421 -8.812 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -6.755 -3.559 -10.231 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -7.231 -2.485 -11.532 1.00 0.00 H new ATOM 92 N THR A 10 -6.279 0.483 -10.612 1.00 0.00 N ATOM 93 CA THR A 10 -6.354 1.788 -11.257 1.00 0.00 C ATOM 94 C THR A 10 -5.789 1.734 -12.672 1.00 0.00 C ATOM 95 O THR A 10 -5.893 2.701 -13.428 1.00 0.00 O ATOM 96 CB THR A 10 -5.592 2.857 -10.452 1.00 0.00 C ATOM 97 OG1 THR A 10 -5.996 2.818 -9.079 1.00 0.00 O ATOM 98 CG2 THR A 10 -5.845 4.245 -11.021 1.00 0.00 C ATOM 0 H THR A 10 -5.330 0.146 -10.450 1.00 0.00 H new ATOM 0 HA THR A 10 -7.409 2.060 -11.300 1.00 0.00 H new ATOM 0 HB THR A 10 -4.526 2.641 -10.522 1.00 0.00 H new ATOM 0 HG1 THR A 10 -5.216 2.964 -8.504 1.00 0.00 H new ATOM 0 HG21 THR A 10 -5.297 4.983 -10.436 1.00 0.00 H new ATOM 0 HG22 THR A 10 -5.509 4.280 -12.057 1.00 0.00 H new ATOM 0 HG23 THR A 10 -6.911 4.467 -10.978 1.00 0.00 H new ATOM 106 N ILE A 11 -5.193 0.601 -13.023 1.00 0.00 N ATOM 107 CA ILE A 11 -4.613 0.422 -14.349 1.00 0.00 C ATOM 108 C ILE A 11 -5.546 -0.375 -15.254 1.00 0.00 C ATOM 109 O ILE A 11 -5.791 0.003 -16.400 1.00 0.00 O ATOM 110 CB ILE A 11 -3.251 -0.294 -14.276 1.00 0.00 C ATOM 111 CG1 ILE A 11 -2.273 0.510 -13.418 1.00 0.00 C ATOM 112 CG2 ILE A 11 -2.689 -0.505 -15.674 1.00 0.00 C ATOM 113 CD1 ILE A 11 -2.311 0.141 -11.952 1.00 0.00 C ATOM 0 H ILE A 11 -5.098 -0.208 -12.408 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.468 1.418 -14.767 1.00 0.00 H new ATOM 0 HB ILE A 11 -3.394 -1.270 -13.812 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -1.262 0.359 -13.796 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -2.498 1.571 -13.523 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.726 -1.012 -15.606 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -3.380 -1.115 -16.256 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -2.557 0.460 -16.163 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -1.592 0.751 -11.405 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.312 0.318 -11.558 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.057 -0.912 -11.835 1.00 0.00 H new ATOM 125 N CYS A 12 -6.067 -1.481 -14.731 1.00 0.00 N ATOM 126 CA CYS A 12 -6.975 -2.332 -15.490 1.00 0.00 C ATOM 127 C CYS A 12 -8.378 -2.301 -14.891 1.00 0.00 C ATOM 128 O CYS A 12 -9.342 -2.737 -15.520 1.00 0.00 O ATOM 129 CB CYS A 12 -6.454 -3.770 -15.520 1.00 0.00 C ATOM 130 SG CYS A 12 -6.291 -4.537 -13.876 1.00 0.00 S ATOM 0 H CYS A 12 -5.875 -1.808 -13.784 1.00 0.00 H new ATOM 0 HA CYS A 12 -7.025 -1.949 -16.509 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -7.127 -4.376 -16.127 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -5.482 -3.783 -16.013 1.00 0.00 H new ATOM 135 N GLN A 13 -8.484 -1.782 -13.672 1.00 0.00 N ATOM 136 CA GLN A 13 -9.769 -1.694 -12.988 1.00 0.00 C ATOM 137 C GLN A 13 -10.350 -3.083 -12.742 1.00 0.00 C ATOM 138 O GLN A 13 -11.517 -3.338 -13.041 1.00 0.00 O ATOM 139 CB GLN A 13 -10.750 -0.855 -13.807 1.00 0.00 C ATOM 140 CG GLN A 13 -10.614 0.641 -13.573 1.00 0.00 C ATOM 141 CD GLN A 13 -9.629 1.294 -14.524 1.00 0.00 C ATOM 142 OE1 GLN A 13 -9.027 0.627 -15.366 1.00 0.00 O ATOM 143 NE2 GLN A 13 -9.460 2.604 -14.393 1.00 0.00 N ATOM 0 H GLN A 13 -7.696 -1.416 -13.138 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.607 -1.212 -12.024 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -10.598 -1.064 -14.866 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -11.768 -1.161 -13.565 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -11.590 1.113 -13.687 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -10.293 0.817 -12.546 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -9.980 3.117 -13.681 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -8.810 3.098 -15.004 1.00 0.00 H new ATOM 152 N GLU A 14 -9.529 -3.975 -12.198 1.00 0.00 N ATOM 153 CA GLU A 14 -9.964 -5.338 -11.914 1.00 0.00 C ATOM 154 C GLU A 14 -9.833 -5.652 -10.426 1.00 0.00 C ATOM 155 O GLU A 14 -8.846 -5.286 -9.789 1.00 0.00 O ATOM 156 CB GLU A 14 -9.144 -6.339 -12.731 1.00 0.00 C ATOM 157 CG GLU A 14 -9.629 -6.497 -14.162 1.00 0.00 C ATOM 158 CD GLU A 14 -10.956 -7.227 -14.251 1.00 0.00 C ATOM 159 OE1 GLU A 14 -11.242 -8.050 -13.357 1.00 0.00 O ATOM 160 OE2 GLU A 14 -11.708 -6.973 -15.215 1.00 0.00 O ATOM 0 H GLU A 14 -8.560 -3.779 -11.945 1.00 0.00 H new ATOM 0 HA GLU A 14 -11.014 -5.423 -12.195 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.102 -6.019 -12.742 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -9.174 -7.310 -12.237 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.729 -5.512 -14.619 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -8.880 -7.041 -14.738 1.00 0.00 H new ATOM 167 N GLU A 15 -10.837 -6.331 -9.880 1.00 0.00 N ATOM 168 CA GLU A 15 -10.834 -6.693 -8.468 1.00 0.00 C ATOM 169 C GLU A 15 -10.124 -8.026 -8.248 1.00 0.00 C ATOM 170 O GLU A 15 -9.491 -8.241 -7.215 1.00 0.00 O ATOM 171 CB GLU A 15 -12.267 -6.772 -7.936 1.00 0.00 C ATOM 172 CG GLU A 15 -12.803 -5.443 -7.430 1.00 0.00 C ATOM 173 CD GLU A 15 -13.894 -5.612 -6.390 1.00 0.00 C ATOM 174 OE1 GLU A 15 -15.041 -5.917 -6.777 1.00 0.00 O ATOM 175 OE2 GLU A 15 -13.599 -5.441 -5.189 1.00 0.00 O ATOM 0 H GLU A 15 -11.662 -6.641 -10.394 1.00 0.00 H new ATOM 0 HA GLU A 15 -10.293 -5.919 -7.923 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -12.920 -7.140 -8.728 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -12.305 -7.501 -7.127 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -11.984 -4.865 -7.002 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -13.193 -4.869 -8.271 1.00 0.00 H new ATOM 182 N TYR A 16 -10.236 -8.916 -9.227 1.00 0.00 N ATOM 183 CA TYR A 16 -9.608 -10.229 -9.141 1.00 0.00 C ATOM 184 C TYR A 16 -8.167 -10.113 -8.654 1.00 0.00 C ATOM 185 O TYR A 16 -7.345 -9.433 -9.268 1.00 0.00 O ATOM 186 CB TYR A 16 -9.643 -10.925 -10.503 1.00 0.00 C ATOM 187 CG TYR A 16 -8.430 -10.639 -11.360 1.00 0.00 C ATOM 188 CD1 TYR A 16 -7.204 -11.229 -11.082 1.00 0.00 C ATOM 189 CD2 TYR A 16 -8.511 -9.778 -12.448 1.00 0.00 C ATOM 190 CE1 TYR A 16 -6.093 -10.971 -11.862 1.00 0.00 C ATOM 191 CE2 TYR A 16 -7.407 -9.515 -13.234 1.00 0.00 C ATOM 192 CZ TYR A 16 -6.200 -10.113 -12.937 1.00 0.00 C ATOM 193 OH TYR A 16 -5.097 -9.852 -13.717 1.00 0.00 O ATOM 0 H TYR A 16 -10.756 -8.752 -10.089 1.00 0.00 H new ATOM 0 HA TYR A 16 -10.169 -10.825 -8.421 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -9.724 -12.001 -10.350 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -10.539 -10.611 -11.039 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -7.117 -11.901 -10.241 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -9.454 -9.307 -12.683 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -5.147 -11.438 -11.632 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -7.488 -8.845 -14.077 1.00 0.00 H new ATOM 0 HH TYR A 16 -5.342 -9.229 -14.433 1.00 0.00 H new ATOM 203 N SER A 17 -7.868 -10.783 -7.545 1.00 0.00 N ATOM 204 CA SER A 17 -6.528 -10.753 -6.972 1.00 0.00 C ATOM 205 C SER A 17 -5.965 -12.164 -6.832 1.00 0.00 C ATOM 206 O SER A 17 -6.646 -13.071 -6.354 1.00 0.00 O ATOM 207 CB SER A 17 -6.549 -10.063 -5.606 1.00 0.00 C ATOM 208 OG SER A 17 -7.324 -10.799 -4.675 1.00 0.00 O ATOM 0 H SER A 17 -8.536 -11.353 -7.026 1.00 0.00 H new ATOM 0 HA SER A 17 -5.884 -10.189 -7.647 1.00 0.00 H new ATOM 0 HB2 SER A 17 -5.530 -9.957 -5.233 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.957 -9.057 -5.709 1.00 0.00 H new ATOM 0 HG SER A 17 -7.320 -10.339 -3.810 1.00 0.00 H new ATOM 214 N GLU A 18 -4.717 -12.342 -7.254 1.00 0.00 N ATOM 215 CA GLU A 18 -4.063 -13.642 -7.178 1.00 0.00 C ATOM 216 C GLU A 18 -2.572 -13.520 -7.478 1.00 0.00 C ATOM 217 O GLU A 18 -2.179 -13.176 -8.593 1.00 0.00 O ATOM 218 CB GLU A 18 -4.713 -14.624 -8.156 1.00 0.00 C ATOM 219 CG GLU A 18 -3.991 -15.958 -8.249 1.00 0.00 C ATOM 220 CD GLU A 18 -4.398 -16.919 -7.149 1.00 0.00 C ATOM 221 OE1 GLU A 18 -3.848 -16.811 -6.033 1.00 0.00 O ATOM 222 OE2 GLU A 18 -5.267 -17.779 -7.405 1.00 0.00 O ATOM 0 H GLU A 18 -4.139 -11.602 -7.652 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.182 -14.020 -6.163 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -5.744 -14.799 -7.850 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.747 -14.169 -9.146 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.198 -16.412 -9.218 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.915 -15.789 -8.199 1.00 0.00 H new ATOM 229 N ALA A 19 -1.747 -13.804 -6.476 1.00 0.00 N ATOM 230 CA ALA A 19 -0.300 -13.727 -6.632 1.00 0.00 C ATOM 231 C ALA A 19 0.186 -14.679 -7.721 1.00 0.00 C ATOM 232 O ALA A 19 -0.469 -15.668 -8.052 1.00 0.00 O ATOM 233 CB ALA A 19 0.391 -14.036 -5.312 1.00 0.00 C ATOM 0 H ALA A 19 -2.056 -14.090 -5.547 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.046 -12.711 -6.933 1.00 0.00 H new ATOM 0 HB1 ALA A 19 1.471 -13.975 -5.444 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.076 -13.314 -4.559 1.00 0.00 H new ATOM 0 HB3 ALA A 19 0.122 -15.041 -4.987 1.00 0.00 H new ATOM 239 N PRO A 20 1.361 -14.377 -8.291 1.00 0.00 N ATOM 240 CA PRO A 20 2.150 -13.203 -7.905 1.00 0.00 C ATOM 241 C PRO A 20 1.493 -11.896 -8.336 1.00 0.00 C ATOM 242 O PRO A 20 2.014 -10.813 -8.075 1.00 0.00 O ATOM 243 CB PRO A 20 3.474 -13.405 -8.646 1.00 0.00 C ATOM 244 CG PRO A 20 3.126 -14.258 -9.817 1.00 0.00 C ATOM 245 CD PRO A 20 2.011 -15.157 -9.358 1.00 0.00 C ATOM 0 HA PRO A 20 2.259 -13.124 -6.823 1.00 0.00 H new ATOM 0 HB2 PRO A 20 3.900 -12.453 -8.962 1.00 0.00 H new ATOM 0 HB3 PRO A 20 4.214 -13.889 -8.009 1.00 0.00 H new ATOM 0 HG2 PRO A 20 2.812 -13.648 -10.664 1.00 0.00 H new ATOM 0 HG3 PRO A 20 3.987 -14.840 -10.145 1.00 0.00 H new ATOM 0 HD2 PRO A 20 1.318 -15.384 -10.169 1.00 0.00 H new ATOM 0 HD3 PRO A 20 2.390 -16.109 -8.986 1.00 0.00 H new ATOM 253 N ASN A 21 0.345 -12.006 -8.997 1.00 0.00 N ATOM 254 CA ASN A 21 -0.384 -10.832 -9.464 1.00 0.00 C ATOM 255 C ASN A 21 -1.449 -10.415 -8.454 1.00 0.00 C ATOM 256 O ASN A 21 -2.634 -10.348 -8.781 1.00 0.00 O ATOM 257 CB ASN A 21 -1.033 -11.115 -10.820 1.00 0.00 C ATOM 258 CG ASN A 21 -1.453 -9.846 -11.536 1.00 0.00 C ATOM 259 OD1 ASN A 21 -1.112 -8.740 -11.115 1.00 0.00 O ATOM 260 ND2 ASN A 21 -2.197 -10.000 -12.626 1.00 0.00 N ATOM 0 H ASN A 21 -0.100 -12.896 -9.221 1.00 0.00 H new ATOM 0 HA ASN A 21 0.327 -10.013 -9.573 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -0.333 -11.668 -11.447 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.905 -11.753 -10.676 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.509 -9.183 -13.150 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -2.456 -10.936 -12.939 1.00 0.00 H new ATOM 267 N GLU A 22 -1.018 -10.137 -7.228 1.00 0.00 N ATOM 268 CA GLU A 22 -1.936 -9.728 -6.171 1.00 0.00 C ATOM 269 C GLU A 22 -2.274 -8.244 -6.289 1.00 0.00 C ATOM 270 O GLU A 22 -1.763 -7.548 -7.165 1.00 0.00 O ATOM 271 CB GLU A 22 -1.328 -10.016 -4.797 1.00 0.00 C ATOM 272 CG GLU A 22 -1.708 -11.376 -4.237 1.00 0.00 C ATOM 273 CD GLU A 22 -1.053 -11.659 -2.898 1.00 0.00 C ATOM 274 OE1 GLU A 22 0.162 -11.948 -2.881 1.00 0.00 O ATOM 275 OE2 GLU A 22 -1.756 -11.591 -1.869 1.00 0.00 O ATOM 0 H GLU A 22 -0.040 -10.187 -6.942 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.856 -10.303 -6.281 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.242 -9.952 -4.869 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.647 -9.243 -4.098 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.791 -11.429 -4.126 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.422 -12.151 -4.948 1.00 0.00 H new ATOM 282 N MET A 23 -3.140 -7.769 -5.400 1.00 0.00 N ATOM 283 CA MET A 23 -3.547 -6.368 -5.404 1.00 0.00 C ATOM 284 C MET A 23 -2.993 -5.638 -4.184 1.00 0.00 C ATOM 285 O MET A 23 -3.233 -6.041 -3.046 1.00 0.00 O ATOM 286 CB MET A 23 -5.073 -6.258 -5.430 1.00 0.00 C ATOM 287 CG MET A 23 -5.584 -4.847 -5.187 1.00 0.00 C ATOM 288 SD MET A 23 -7.339 -4.670 -5.562 1.00 0.00 S ATOM 289 CE MET A 23 -7.317 -4.798 -7.349 1.00 0.00 C ATOM 0 H MET A 23 -3.573 -8.332 -4.668 1.00 0.00 H new ATOM 0 HA MET A 23 -3.141 -5.900 -6.301 1.00 0.00 H new ATOM 0 HB2 MET A 23 -5.438 -6.607 -6.396 1.00 0.00 H new ATOM 0 HB3 MET A 23 -5.490 -6.922 -4.673 1.00 0.00 H new ATOM 0 HG2 MET A 23 -5.410 -4.576 -4.146 1.00 0.00 H new ATOM 0 HG3 MET A 23 -5.013 -4.148 -5.798 1.00 0.00 H new ATOM 0 HE1 MET A 23 -8.197 -4.303 -7.760 1.00 0.00 H new ATOM 0 HE2 MET A 23 -6.417 -4.320 -7.737 1.00 0.00 H new ATOM 0 HE3 MET A 23 -7.323 -5.849 -7.639 1.00 0.00 H new ATOM 299 N VAL A 24 -2.251 -4.563 -4.430 1.00 0.00 N ATOM 300 CA VAL A 24 -1.664 -3.777 -3.351 1.00 0.00 C ATOM 301 C VAL A 24 -2.306 -2.397 -3.265 1.00 0.00 C ATOM 302 O VAL A 24 -2.372 -1.669 -4.256 1.00 0.00 O ATOM 303 CB VAL A 24 -0.144 -3.613 -3.539 1.00 0.00 C ATOM 304 CG1 VAL A 24 0.449 -2.796 -2.401 1.00 0.00 C ATOM 305 CG2 VAL A 24 0.529 -4.973 -3.638 1.00 0.00 C ATOM 0 H VAL A 24 -2.042 -4.217 -5.366 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.852 -4.320 -2.425 1.00 0.00 H new ATOM 0 HB VAL A 24 0.035 -3.076 -4.471 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.524 -2.690 -2.550 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.014 -1.809 -2.382 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.262 -3.302 -1.454 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.603 -4.839 -3.771 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.344 -5.538 -2.724 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.124 -5.518 -4.490 1.00 0.00 H new ATOM 315 N ILE A 25 -2.778 -2.043 -2.074 1.00 0.00 N ATOM 316 CA ILE A 25 -3.413 -0.749 -1.859 1.00 0.00 C ATOM 317 C ILE A 25 -2.422 0.264 -1.296 1.00 0.00 C ATOM 318 O ILE A 25 -1.573 -0.075 -0.471 1.00 0.00 O ATOM 319 CB ILE A 25 -4.612 -0.864 -0.899 1.00 0.00 C ATOM 320 CG1 ILE A 25 -5.643 -1.850 -1.452 1.00 0.00 C ATOM 321 CG2 ILE A 25 -5.244 0.502 -0.675 1.00 0.00 C ATOM 322 CD1 ILE A 25 -6.381 -1.335 -2.668 1.00 0.00 C ATOM 0 H ILE A 25 -2.733 -2.634 -1.244 1.00 0.00 H new ATOM 0 HA ILE A 25 -3.766 -0.406 -2.831 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.256 -1.240 0.060 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -5.140 -2.782 -1.710 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -6.366 -2.084 -0.670 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -6.090 0.404 0.005 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -4.506 1.178 -0.242 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -5.589 0.904 -1.628 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -7.095 -2.086 -3.005 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -6.912 -0.419 -2.410 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -5.668 -1.128 -3.466 1.00 0.00 H new ATOM 334 N CYS A 26 -2.535 1.508 -1.747 1.00 0.00 N ATOM 335 CA CYS A 26 -1.650 2.572 -1.289 1.00 0.00 C ATOM 336 C CYS A 26 -2.206 3.239 -0.034 1.00 0.00 C ATOM 337 O CYS A 26 -3.338 3.724 -0.025 1.00 0.00 O ATOM 338 CB CYS A 26 -1.459 3.615 -2.392 1.00 0.00 C ATOM 339 SG CYS A 26 -0.380 5.006 -1.921 1.00 0.00 S ATOM 0 H CYS A 26 -3.232 1.805 -2.430 1.00 0.00 H new ATOM 0 HA CYS A 26 -0.684 2.128 -1.046 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -1.040 3.126 -3.271 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -2.435 4.007 -2.680 1.00 0.00 H new ATOM 344 N ASP A 27 -1.402 3.260 1.023 1.00 0.00 N ATOM 345 CA ASP A 27 -1.812 3.869 2.284 1.00 0.00 C ATOM 346 C ASP A 27 -2.213 5.326 2.078 1.00 0.00 C ATOM 347 O ASP A 27 -3.181 5.804 2.671 1.00 0.00 O ATOM 348 CB ASP A 27 -0.681 3.778 3.310 1.00 0.00 C ATOM 349 CG ASP A 27 -1.145 4.114 4.713 1.00 0.00 C ATOM 350 OD1 ASP A 27 -1.480 5.291 4.962 1.00 0.00 O ATOM 351 OD2 ASP A 27 -1.172 3.200 5.564 1.00 0.00 O ATOM 0 H ASP A 27 -0.463 2.863 1.032 1.00 0.00 H new ATOM 0 HA ASP A 27 -2.677 3.322 2.659 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -0.265 2.771 3.299 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.122 4.458 3.023 1.00 0.00 H new ATOM 356 N LYS A 28 -1.463 6.028 1.236 1.00 0.00 N ATOM 357 CA LYS A 28 -1.740 7.431 0.951 1.00 0.00 C ATOM 358 C LYS A 28 -2.995 7.575 0.096 1.00 0.00 C ATOM 359 O LYS A 28 -4.052 7.972 0.588 1.00 0.00 O ATOM 360 CB LYS A 28 -0.547 8.073 0.238 1.00 0.00 C ATOM 361 CG LYS A 28 -0.752 9.542 -0.087 1.00 0.00 C ATOM 362 CD LYS A 28 0.568 10.293 -0.131 1.00 0.00 C ATOM 363 CE LYS A 28 0.967 10.800 1.246 1.00 0.00 C ATOM 364 NZ LYS A 28 -0.004 11.800 1.772 1.00 0.00 N ATOM 0 H LYS A 28 -0.658 5.648 0.738 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.907 7.943 1.899 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.339 7.968 0.864 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -0.351 7.529 -0.686 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.257 9.636 -1.048 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.404 9.994 0.661 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.348 9.638 -0.519 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.487 11.134 -0.820 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.033 9.960 1.937 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.959 11.249 1.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.476 12.428 2.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.383 12.363 0.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.784 11.307 2.252 1.00 0.00 H new ATOM 378 N CYS A 29 -2.872 7.251 -1.187 1.00 0.00 N ATOM 379 CA CYS A 29 -3.995 7.343 -2.111 1.00 0.00 C ATOM 380 C CYS A 29 -5.165 6.487 -1.633 1.00 0.00 C ATOM 381 O CYS A 29 -6.235 7.002 -1.313 1.00 0.00 O ATOM 382 CB CYS A 29 -3.568 6.904 -3.513 1.00 0.00 C ATOM 383 SG CYS A 29 -2.080 7.750 -4.135 1.00 0.00 S ATOM 0 H CYS A 29 -2.004 6.922 -1.610 1.00 0.00 H new ATOM 0 HA CYS A 29 -4.319 8.383 -2.146 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -3.386 5.829 -3.506 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -4.391 7.083 -4.205 1.00 0.00 H new ATOM 388 N GLY A 30 -4.951 5.175 -1.586 1.00 0.00 N ATOM 389 CA GLY A 30 -5.995 4.269 -1.145 1.00 0.00 C ATOM 390 C GLY A 30 -6.436 3.317 -2.240 1.00 0.00 C ATOM 391 O GLY A 30 -7.182 2.372 -1.985 1.00 0.00 O ATOM 0 H GLY A 30 -4.074 4.724 -1.845 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.637 3.695 -0.291 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.853 4.847 -0.803 1.00 0.00 H new ATOM 395 N GLN A 31 -5.976 3.568 -3.461 1.00 0.00 N ATOM 396 CA GLN A 31 -6.330 2.727 -4.598 1.00 0.00 C ATOM 397 C GLN A 31 -5.407 1.516 -4.689 1.00 0.00 C ATOM 398 O GLN A 31 -4.294 1.532 -4.166 1.00 0.00 O ATOM 399 CB GLN A 31 -6.261 3.534 -5.897 1.00 0.00 C ATOM 400 CG GLN A 31 -7.408 4.518 -6.063 1.00 0.00 C ATOM 401 CD GLN A 31 -7.378 5.228 -7.402 1.00 0.00 C ATOM 402 OE1 GLN A 31 -8.317 5.124 -8.193 1.00 0.00 O ATOM 403 NE2 GLN A 31 -6.298 5.954 -7.664 1.00 0.00 N ATOM 0 H GLN A 31 -5.358 4.347 -3.688 1.00 0.00 H new ATOM 0 HA GLN A 31 -7.350 2.373 -4.451 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -5.318 4.080 -5.926 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -6.258 2.846 -6.743 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -8.355 3.988 -5.958 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -7.366 5.257 -5.263 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -5.544 6.012 -6.979 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.222 6.454 -8.550 1.00 0.00 H new ATOM 412 N GLY A 32 -5.879 0.467 -5.356 1.00 0.00 N ATOM 413 CA GLY A 32 -5.083 -0.738 -5.502 1.00 0.00 C ATOM 414 C GLY A 32 -4.289 -0.755 -6.792 1.00 0.00 C ATOM 415 O GLY A 32 -4.657 -0.097 -7.765 1.00 0.00 O ATOM 0 H GLY A 32 -6.798 0.430 -5.798 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.400 -0.823 -4.657 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -5.738 -1.609 -5.471 1.00 0.00 H new ATOM 419 N TYR A 33 -3.194 -1.508 -6.801 1.00 0.00 N ATOM 420 CA TYR A 33 -2.343 -1.605 -7.981 1.00 0.00 C ATOM 421 C TYR A 33 -1.705 -2.987 -8.080 1.00 0.00 C ATOM 422 O TYR A 33 -0.812 -3.329 -7.304 1.00 0.00 O ATOM 423 CB TYR A 33 -1.255 -0.530 -7.940 1.00 0.00 C ATOM 424 CG TYR A 33 -1.798 0.877 -7.834 1.00 0.00 C ATOM 425 CD1 TYR A 33 -2.263 1.374 -6.623 1.00 0.00 C ATOM 426 CD2 TYR A 33 -1.845 1.709 -8.945 1.00 0.00 C ATOM 427 CE1 TYR A 33 -2.761 2.659 -6.522 1.00 0.00 C ATOM 428 CE2 TYR A 33 -2.340 2.996 -8.853 1.00 0.00 C ATOM 429 CZ TYR A 33 -2.796 3.466 -7.640 1.00 0.00 C ATOM 430 OH TYR A 33 -3.291 4.747 -7.544 1.00 0.00 O ATOM 0 H TYR A 33 -2.875 -2.060 -6.005 1.00 0.00 H new ATOM 0 HA TYR A 33 -2.966 -1.449 -8.862 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -0.598 -0.722 -7.092 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -0.645 -0.608 -8.840 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -2.235 0.745 -5.745 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -1.489 1.344 -9.897 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -3.121 3.029 -5.573 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -2.369 3.630 -9.727 1.00 0.00 H new ATOM 0 HH TYR A 33 -3.245 5.182 -8.421 1.00 0.00 H new ATOM 440 N HIS A 34 -2.169 -3.779 -9.041 1.00 0.00 N ATOM 441 CA HIS A 34 -1.644 -5.124 -9.244 1.00 0.00 C ATOM 442 C HIS A 34 -0.125 -5.099 -9.385 1.00 0.00 C ATOM 443 O HIS A 34 0.452 -4.093 -9.796 1.00 0.00 O ATOM 444 CB HIS A 34 -2.273 -5.758 -10.486 1.00 0.00 C ATOM 445 CG HIS A 34 -3.721 -6.099 -10.316 1.00 0.00 C ATOM 446 ND1 HIS A 34 -4.708 -5.631 -11.158 1.00 0.00 N ATOM 447 CD2 HIS A 34 -4.348 -6.868 -9.395 1.00 0.00 C ATOM 448 CE1 HIS A 34 -5.879 -6.096 -10.761 1.00 0.00 C ATOM 449 NE2 HIS A 34 -5.688 -6.850 -9.694 1.00 0.00 N ATOM 0 H HIS A 34 -2.908 -3.512 -9.692 1.00 0.00 H new ATOM 0 HA HIS A 34 -1.900 -5.723 -8.370 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -2.166 -5.073 -11.327 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -1.722 -6.664 -10.740 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -3.881 -7.397 -8.577 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -6.831 -5.894 -11.230 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -6.418 -7.340 -9.176 1.00 0.00 H new ATOM 457 N GLN A 35 0.515 -6.212 -9.041 1.00 0.00 N ATOM 458 CA GLN A 35 1.967 -6.315 -9.128 1.00 0.00 C ATOM 459 C GLN A 35 2.432 -6.239 -10.578 1.00 0.00 C ATOM 460 O GLN A 35 3.546 -5.796 -10.862 1.00 0.00 O ATOM 461 CB GLN A 35 2.445 -7.623 -8.495 1.00 0.00 C ATOM 462 CG GLN A 35 2.240 -7.681 -6.990 1.00 0.00 C ATOM 463 CD GLN A 35 2.690 -8.998 -6.389 1.00 0.00 C ATOM 464 OE1 GLN A 35 1.874 -9.787 -5.911 1.00 0.00 O ATOM 465 NE2 GLN A 35 3.995 -9.244 -6.412 1.00 0.00 N ATOM 0 H GLN A 35 0.052 -7.054 -8.700 1.00 0.00 H new ATOM 0 HA GLN A 35 2.399 -5.476 -8.583 1.00 0.00 H new ATOM 0 HB2 GLN A 35 1.915 -8.456 -8.958 1.00 0.00 H new ATOM 0 HB3 GLN A 35 3.504 -7.757 -8.715 1.00 0.00 H new ATOM 0 HG2 GLN A 35 2.790 -6.865 -6.521 1.00 0.00 H new ATOM 0 HG3 GLN A 35 1.185 -7.525 -6.765 1.00 0.00 H new ATOM 0 HE21 GLN A 35 4.635 -8.562 -6.818 1.00 0.00 H new ATOM 0 HE22 GLN A 35 4.357 -10.115 -6.024 1.00 0.00 H new ATOM 474 N LEU A 36 1.573 -6.674 -11.493 1.00 0.00 N ATOM 475 CA LEU A 36 1.896 -6.655 -12.916 1.00 0.00 C ATOM 476 C LEU A 36 1.487 -5.329 -13.550 1.00 0.00 C ATOM 477 O LEU A 36 1.929 -4.991 -14.648 1.00 0.00 O ATOM 478 CB LEU A 36 1.198 -7.813 -13.633 1.00 0.00 C ATOM 479 CG LEU A 36 1.647 -9.218 -13.232 1.00 0.00 C ATOM 480 CD1 LEU A 36 0.738 -10.267 -13.855 1.00 0.00 C ATOM 481 CD2 LEU A 36 3.094 -9.453 -13.642 1.00 0.00 C ATOM 0 H LEU A 36 0.648 -7.044 -11.276 1.00 0.00 H new ATOM 0 HA LEU A 36 2.975 -6.769 -13.020 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.126 -7.731 -13.455 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.353 -7.696 -14.706 1.00 0.00 H new ATOM 0 HG LEU A 36 1.579 -9.305 -12.148 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.073 -11.261 -13.559 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.285 -10.112 -13.512 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.774 -10.181 -14.941 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.397 -10.458 -13.349 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.188 -9.347 -14.723 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.735 -8.723 -13.149 1.00 0.00 H new ATOM 493 N CYS A 37 0.641 -4.580 -12.850 1.00 0.00 N ATOM 494 CA CYS A 37 0.173 -3.290 -13.342 1.00 0.00 C ATOM 495 C CYS A 37 1.096 -2.166 -12.881 1.00 0.00 C ATOM 496 O CYS A 37 1.680 -1.453 -13.698 1.00 0.00 O ATOM 497 CB CYS A 37 -1.254 -3.024 -12.860 1.00 0.00 C ATOM 498 SG CYS A 37 -2.519 -4.048 -13.679 1.00 0.00 S ATOM 0 H CYS A 37 0.265 -4.845 -11.939 1.00 0.00 H new ATOM 0 HA CYS A 37 0.181 -3.319 -14.432 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -1.301 -3.198 -11.785 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -1.491 -1.973 -13.023 1.00 0.00 H new ATOM 503 N HIS A 38 1.222 -2.012 -11.567 1.00 0.00 N ATOM 504 CA HIS A 38 2.074 -0.975 -10.997 1.00 0.00 C ATOM 505 C HIS A 38 3.457 -0.991 -11.642 1.00 0.00 C ATOM 506 O HIS A 38 3.881 -2.004 -12.201 1.00 0.00 O ATOM 507 CB HIS A 38 2.202 -1.164 -9.485 1.00 0.00 C ATOM 508 CG HIS A 38 2.899 -0.031 -8.796 1.00 0.00 C ATOM 509 ND1 HIS A 38 4.269 0.120 -8.795 1.00 0.00 N ATOM 510 CD2 HIS A 38 2.406 1.011 -8.085 1.00 0.00 C ATOM 511 CE1 HIS A 38 4.590 1.204 -8.111 1.00 0.00 C ATOM 512 NE2 HIS A 38 3.477 1.763 -7.671 1.00 0.00 N ATOM 0 H HIS A 38 0.745 -2.592 -10.877 1.00 0.00 H new ATOM 0 HA HIS A 38 1.610 -0.009 -11.197 1.00 0.00 H new ATOM 0 HB2 HIS A 38 1.207 -1.282 -9.056 1.00 0.00 H new ATOM 0 HB3 HIS A 38 2.746 -2.088 -9.287 1.00 0.00 H new ATOM 0 HD1 HIS A 38 4.932 -0.507 -9.251 1.00 0.00 H new ATOM 0 HD2 HIS A 38 1.365 1.213 -7.882 1.00 0.00 H new ATOM 0 HE1 HIS A 38 5.592 1.570 -7.941 1.00 0.00 H new ATOM 520 N THR A 39 4.156 0.136 -11.562 1.00 0.00 N ATOM 521 CA THR A 39 5.489 0.252 -12.139 1.00 0.00 C ATOM 522 C THR A 39 6.406 1.077 -11.244 1.00 0.00 C ATOM 523 O THR A 39 6.116 2.225 -10.906 1.00 0.00 O ATOM 524 CB THR A 39 5.442 0.895 -13.538 1.00 0.00 C ATOM 525 OG1 THR A 39 4.490 0.210 -14.360 1.00 0.00 O ATOM 526 CG2 THR A 39 6.811 0.855 -14.199 1.00 0.00 C ATOM 0 H THR A 39 3.821 0.983 -11.103 1.00 0.00 H new ATOM 0 HA THR A 39 5.885 -0.760 -12.225 1.00 0.00 H new ATOM 0 HB THR A 39 5.141 1.937 -13.425 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.465 0.626 -15.247 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.752 1.315 -15.186 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.527 1.402 -13.586 1.00 0.00 H new ATOM 0 HG23 THR A 39 7.136 -0.180 -14.300 1.00 0.00 H new ATOM 534 N PRO A 40 7.542 0.482 -10.849 1.00 0.00 N ATOM 535 CA PRO A 40 7.898 -0.884 -11.244 1.00 0.00 C ATOM 536 C PRO A 40 7.005 -1.930 -10.585 1.00 0.00 C ATOM 537 O PRO A 40 6.356 -1.659 -9.574 1.00 0.00 O ATOM 538 CB PRO A 40 9.341 -1.030 -10.757 1.00 0.00 C ATOM 539 CG PRO A 40 9.461 -0.059 -9.634 1.00 0.00 C ATOM 540 CD PRO A 40 8.565 1.096 -9.987 1.00 0.00 C ATOM 0 HA PRO A 40 7.777 -1.042 -12.316 1.00 0.00 H new ATOM 0 HB2 PRO A 40 9.546 -2.048 -10.424 1.00 0.00 H new ATOM 0 HB3 PRO A 40 10.052 -0.806 -11.552 1.00 0.00 H new ATOM 0 HG2 PRO A 40 9.158 -0.514 -8.691 1.00 0.00 H new ATOM 0 HG3 PRO A 40 10.493 0.271 -9.512 1.00 0.00 H new ATOM 0 HD2 PRO A 40 8.124 1.548 -9.099 1.00 0.00 H new ATOM 0 HD3 PRO A 40 9.110 1.883 -10.508 1.00 0.00 H new ATOM 548 N HIS A 41 6.977 -3.127 -11.163 1.00 0.00 N ATOM 549 CA HIS A 41 6.164 -4.214 -10.630 1.00 0.00 C ATOM 550 C HIS A 41 6.421 -4.404 -9.138 1.00 0.00 C ATOM 551 O HIS A 41 7.520 -4.781 -8.731 1.00 0.00 O ATOM 552 CB HIS A 41 6.458 -5.514 -11.379 1.00 0.00 C ATOM 553 CG HIS A 41 6.200 -5.428 -12.852 1.00 0.00 C ATOM 554 ND1 HIS A 41 7.032 -5.992 -13.796 1.00 0.00 N ATOM 555 CD2 HIS A 41 5.193 -4.842 -13.541 1.00 0.00 C ATOM 556 CE1 HIS A 41 6.549 -5.754 -15.003 1.00 0.00 C ATOM 557 NE2 HIS A 41 5.434 -5.058 -14.876 1.00 0.00 N ATOM 0 H HIS A 41 7.508 -3.368 -12.000 1.00 0.00 H new ATOM 0 HA HIS A 41 5.115 -3.952 -10.770 1.00 0.00 H new ATOM 0 HB2 HIS A 41 7.500 -5.790 -11.216 1.00 0.00 H new ATOM 0 HB3 HIS A 41 5.848 -6.313 -10.958 1.00 0.00 H new ATOM 0 HD2 HIS A 41 4.356 -4.305 -13.120 1.00 0.00 H new ATOM 0 HE1 HIS A 41 6.991 -6.074 -15.935 1.00 0.00 H new ATOM 0 HE2 HIS A 41 4.847 -4.733 -15.644 1.00 0.00 H new ATOM 565 N ILE A 42 5.401 -4.139 -8.329 1.00 0.00 N ATOM 566 CA ILE A 42 5.517 -4.281 -6.883 1.00 0.00 C ATOM 567 C ILE A 42 6.051 -5.659 -6.507 1.00 0.00 C ATOM 568 O ILE A 42 5.659 -6.669 -7.091 1.00 0.00 O ATOM 569 CB ILE A 42 4.161 -4.060 -6.185 1.00 0.00 C ATOM 570 CG1 ILE A 42 3.620 -2.665 -6.504 1.00 0.00 C ATOM 571 CG2 ILE A 42 4.303 -4.248 -4.682 1.00 0.00 C ATOM 572 CD1 ILE A 42 2.139 -2.515 -6.234 1.00 0.00 C ATOM 0 H ILE A 42 4.485 -3.825 -8.650 1.00 0.00 H new ATOM 0 HA ILE A 42 6.219 -3.518 -6.546 1.00 0.00 H new ATOM 0 HB ILE A 42 3.452 -4.798 -6.559 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.165 -1.929 -5.913 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.815 -2.440 -7.553 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.337 -4.089 -4.203 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.649 -5.260 -4.473 1.00 0.00 H new ATOM 0 HG23 ILE A 42 5.024 -3.530 -4.292 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.825 -1.501 -6.483 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.584 -3.227 -6.845 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.940 -2.708 -5.180 1.00 0.00 H new ATOM 584 N ASP A 43 6.946 -5.692 -5.526 1.00 0.00 N ATOM 585 CA ASP A 43 7.533 -6.947 -5.069 1.00 0.00 C ATOM 586 C ASP A 43 6.621 -7.636 -4.058 1.00 0.00 C ATOM 587 O ASP A 43 6.041 -6.988 -3.187 1.00 0.00 O ATOM 588 CB ASP A 43 8.907 -6.695 -4.446 1.00 0.00 C ATOM 589 CG ASP A 43 9.988 -6.499 -5.490 1.00 0.00 C ATOM 590 OD1 ASP A 43 10.319 -7.477 -6.193 1.00 0.00 O ATOM 591 OD2 ASP A 43 10.503 -5.367 -5.605 1.00 0.00 O ATOM 0 H ASP A 43 7.281 -4.865 -5.032 1.00 0.00 H new ATOM 0 HA ASP A 43 7.649 -7.602 -5.933 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.857 -5.812 -3.808 1.00 0.00 H new ATOM 0 HB3 ASP A 43 9.172 -7.536 -3.806 1.00 0.00 H new ATOM 596 N SER A 44 6.500 -8.954 -4.181 1.00 0.00 N ATOM 597 CA SER A 44 5.655 -9.731 -3.281 1.00 0.00 C ATOM 598 C SER A 44 6.053 -9.499 -1.827 1.00 0.00 C ATOM 599 O SER A 44 5.199 -9.317 -0.959 1.00 0.00 O ATOM 600 CB SER A 44 5.751 -11.221 -3.617 1.00 0.00 C ATOM 601 OG SER A 44 4.934 -11.992 -2.754 1.00 0.00 O ATOM 0 H SER A 44 6.976 -9.506 -4.895 1.00 0.00 H new ATOM 0 HA SER A 44 4.625 -9.401 -3.414 1.00 0.00 H new ATOM 0 HB2 SER A 44 5.448 -11.384 -4.651 1.00 0.00 H new ATOM 0 HB3 SER A 44 6.787 -11.550 -3.533 1.00 0.00 H new ATOM 0 HG SER A 44 5.012 -12.940 -2.990 1.00 0.00 H new ATOM 607 N SER A 45 7.357 -9.508 -1.568 1.00 0.00 N ATOM 608 CA SER A 45 7.870 -9.303 -0.218 1.00 0.00 C ATOM 609 C SER A 45 7.009 -8.299 0.543 1.00 0.00 C ATOM 610 O SER A 45 6.418 -8.627 1.572 1.00 0.00 O ATOM 611 CB SER A 45 9.318 -8.813 -0.270 1.00 0.00 C ATOM 612 OG SER A 45 10.211 -9.886 -0.517 1.00 0.00 O ATOM 0 H SER A 45 8.077 -9.655 -2.275 1.00 0.00 H new ATOM 0 HA SER A 45 7.835 -10.258 0.307 1.00 0.00 H new ATOM 0 HB2 SER A 45 9.423 -8.061 -1.052 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.576 -8.331 0.673 1.00 0.00 H new ATOM 0 HG SER A 45 11.130 -9.547 -0.547 1.00 0.00 H new ATOM 618 N VAL A 46 6.943 -7.075 0.029 1.00 0.00 N ATOM 619 CA VAL A 46 6.154 -6.023 0.659 1.00 0.00 C ATOM 620 C VAL A 46 4.830 -6.568 1.183 1.00 0.00 C ATOM 621 O VAL A 46 4.485 -6.376 2.349 1.00 0.00 O ATOM 622 CB VAL A 46 5.870 -4.871 -0.322 1.00 0.00 C ATOM 623 CG1 VAL A 46 5.000 -3.811 0.336 1.00 0.00 C ATOM 624 CG2 VAL A 46 7.173 -4.266 -0.824 1.00 0.00 C ATOM 0 H VAL A 46 7.426 -6.787 -0.822 1.00 0.00 H new ATOM 0 HA VAL A 46 6.743 -5.643 1.494 1.00 0.00 H new ATOM 0 HB VAL A 46 5.328 -5.272 -1.178 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.810 -3.005 -0.373 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.053 -4.256 0.642 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.513 -3.411 1.211 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.954 -3.453 -1.516 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.744 -3.879 0.020 1.00 0.00 H new ATOM 0 HG23 VAL A 46 7.756 -5.031 -1.336 1.00 0.00 H new ATOM 634 N ILE A 47 4.091 -7.249 0.313 1.00 0.00 N ATOM 635 CA ILE A 47 2.805 -7.823 0.688 1.00 0.00 C ATOM 636 C ILE A 47 2.959 -8.809 1.841 1.00 0.00 C ATOM 637 O ILE A 47 2.257 -8.716 2.848 1.00 0.00 O ATOM 638 CB ILE A 47 2.141 -8.541 -0.502 1.00 0.00 C ATOM 639 CG1 ILE A 47 1.912 -7.561 -1.654 1.00 0.00 C ATOM 640 CG2 ILE A 47 0.827 -9.176 -0.071 1.00 0.00 C ATOM 641 CD1 ILE A 47 1.620 -8.239 -2.975 1.00 0.00 C ATOM 0 H ILE A 47 4.361 -7.416 -0.656 1.00 0.00 H new ATOM 0 HA ILE A 47 2.169 -6.996 1.003 1.00 0.00 H new ATOM 0 HB ILE A 47 2.808 -9.331 -0.849 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.081 -6.903 -1.401 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.795 -6.931 -1.765 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.370 -9.680 -0.923 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.016 -9.901 0.721 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.153 -8.403 0.298 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.468 -7.484 -3.746 1.00 0.00 H new ATOM 0 HD12 ILE A 47 2.461 -8.875 -3.251 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.720 -8.847 -2.881 1.00 0.00 H new ATOM 653 N ASP A 48 3.882 -9.752 1.686 1.00 0.00 N ATOM 654 CA ASP A 48 4.130 -10.754 2.716 1.00 0.00 C ATOM 655 C ASP A 48 4.049 -10.135 4.108 1.00 0.00 C ATOM 656 O ASP A 48 3.408 -10.682 5.005 1.00 0.00 O ATOM 657 CB ASP A 48 5.502 -11.399 2.510 1.00 0.00 C ATOM 658 CG ASP A 48 5.765 -12.526 3.489 1.00 0.00 C ATOM 659 OD1 ASP A 48 5.330 -12.413 4.654 1.00 0.00 O ATOM 660 OD2 ASP A 48 6.406 -13.521 3.090 1.00 0.00 O ATOM 0 H ASP A 48 4.470 -9.843 0.858 1.00 0.00 H new ATOM 0 HA ASP A 48 3.360 -11.521 2.634 1.00 0.00 H new ATOM 0 HB2 ASP A 48 5.571 -11.783 1.492 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.277 -10.640 2.618 1.00 0.00 H new ATOM 665 N SER A 49 4.705 -8.992 4.281 1.00 0.00 N ATOM 666 CA SER A 49 4.712 -8.301 5.565 1.00 0.00 C ATOM 667 C SER A 49 3.544 -7.324 5.662 1.00 0.00 C ATOM 668 O SER A 49 3.022 -6.861 4.648 1.00 0.00 O ATOM 669 CB SER A 49 6.033 -7.555 5.759 1.00 0.00 C ATOM 670 OG SER A 49 6.014 -6.302 5.098 1.00 0.00 O ATOM 0 H SER A 49 5.239 -8.525 3.548 1.00 0.00 H new ATOM 0 HA SER A 49 4.605 -9.047 6.352 1.00 0.00 H new ATOM 0 HB2 SER A 49 6.217 -7.405 6.823 1.00 0.00 H new ATOM 0 HB3 SER A 49 6.855 -8.159 5.375 1.00 0.00 H new ATOM 0 HG SER A 49 5.542 -6.390 4.244 1.00 0.00 H new ATOM 676 N ASP A 50 3.140 -7.015 6.889 1.00 0.00 N ATOM 677 CA ASP A 50 2.034 -6.093 7.120 1.00 0.00 C ATOM 678 C ASP A 50 2.523 -4.648 7.120 1.00 0.00 C ATOM 679 O ASP A 50 1.911 -3.776 7.735 1.00 0.00 O ATOM 680 CB ASP A 50 1.346 -6.411 8.449 1.00 0.00 C ATOM 681 CG ASP A 50 0.222 -5.444 8.764 1.00 0.00 C ATOM 682 OD1 ASP A 50 -0.511 -5.060 7.829 1.00 0.00 O ATOM 683 OD2 ASP A 50 0.074 -5.072 9.947 1.00 0.00 O ATOM 0 H ASP A 50 3.562 -7.389 7.739 1.00 0.00 H new ATOM 0 HA ASP A 50 1.316 -6.215 6.309 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.950 -7.426 8.416 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.082 -6.382 9.252 1.00 0.00 H new ATOM 688 N GLU A 51 3.631 -4.403 6.426 1.00 0.00 N ATOM 689 CA GLU A 51 4.202 -3.064 6.348 1.00 0.00 C ATOM 690 C GLU A 51 3.445 -2.207 5.338 1.00 0.00 C ATOM 691 O GLU A 51 2.932 -2.712 4.339 1.00 0.00 O ATOM 692 CB GLU A 51 5.682 -3.138 5.963 1.00 0.00 C ATOM 693 CG GLU A 51 6.603 -3.421 7.138 1.00 0.00 C ATOM 694 CD GLU A 51 7.955 -3.953 6.705 1.00 0.00 C ATOM 695 OE1 GLU A 51 8.768 -3.159 6.190 1.00 0.00 O ATOM 696 OE2 GLU A 51 8.199 -5.165 6.882 1.00 0.00 O ATOM 0 H GLU A 51 4.150 -5.114 5.911 1.00 0.00 H new ATOM 0 HA GLU A 51 4.112 -2.601 7.331 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.815 -3.917 5.212 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.976 -2.196 5.500 1.00 0.00 H new ATOM 0 HG2 GLU A 51 6.744 -2.506 7.713 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.128 -4.144 7.801 1.00 0.00 H new ATOM 703 N LYS A 52 3.379 -0.908 5.605 1.00 0.00 N ATOM 704 CA LYS A 52 2.686 0.022 4.721 1.00 0.00 C ATOM 705 C LYS A 52 3.452 0.204 3.414 1.00 0.00 C ATOM 706 O LYS A 52 4.682 0.240 3.406 1.00 0.00 O ATOM 707 CB LYS A 52 2.504 1.375 5.411 1.00 0.00 C ATOM 708 CG LYS A 52 1.376 1.393 6.428 1.00 0.00 C ATOM 709 CD LYS A 52 1.870 1.011 7.814 1.00 0.00 C ATOM 710 CE LYS A 52 2.692 2.127 8.439 1.00 0.00 C ATOM 711 NZ LYS A 52 1.835 3.125 9.136 1.00 0.00 N ATOM 0 H LYS A 52 3.798 -0.474 6.428 1.00 0.00 H new ATOM 0 HA LYS A 52 1.706 -0.396 4.492 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.435 1.648 5.909 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.312 2.136 4.655 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.930 2.387 6.461 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.593 0.702 6.116 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.018 0.782 8.455 1.00 0.00 H new ATOM 0 HD3 LYS A 52 2.473 0.105 7.750 1.00 0.00 H new ATOM 0 HE2 LYS A 52 3.403 1.701 9.147 1.00 0.00 H new ATOM 0 HE3 LYS A 52 3.274 2.626 7.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 2.434 3.869 9.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 1.174 3.550 8.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 1.298 2.654 9.892 1.00 0.00 H new ATOM 725 N TRP A 53 2.717 0.320 2.314 1.00 0.00 N ATOM 726 CA TRP A 53 3.329 0.500 1.002 1.00 0.00 C ATOM 727 C TRP A 53 2.751 1.722 0.296 1.00 0.00 C ATOM 728 O TRP A 53 1.619 2.128 0.562 1.00 0.00 O ATOM 729 CB TRP A 53 3.119 -0.748 0.143 1.00 0.00 C ATOM 730 CG TRP A 53 3.427 -0.529 -1.307 1.00 0.00 C ATOM 731 CD1 TRP A 53 4.620 -0.752 -1.934 1.00 0.00 C ATOM 732 CD2 TRP A 53 2.529 -0.043 -2.310 1.00 0.00 C ATOM 733 NE1 TRP A 53 4.517 -0.434 -3.267 1.00 0.00 N ATOM 734 CE2 TRP A 53 3.244 0.003 -3.523 1.00 0.00 C ATOM 735 CE3 TRP A 53 1.190 0.356 -2.303 1.00 0.00 C ATOM 736 CZ2 TRP A 53 2.664 0.433 -4.713 1.00 0.00 C ATOM 737 CZ3 TRP A 53 0.615 0.783 -3.485 1.00 0.00 C ATOM 738 CH2 TRP A 53 1.351 0.818 -4.677 1.00 0.00 C ATOM 0 H TRP A 53 1.697 0.293 2.304 1.00 0.00 H new ATOM 0 HA TRP A 53 4.398 0.658 1.145 1.00 0.00 H new ATOM 0 HB2 TRP A 53 3.749 -1.552 0.523 1.00 0.00 H new ATOM 0 HB3 TRP A 53 2.085 -1.079 0.242 1.00 0.00 H new ATOM 0 HD1 TRP A 53 5.513 -1.124 -1.453 1.00 0.00 H new ATOM 0 HE1 TRP A 53 5.267 -0.511 -3.954 1.00 0.00 H new ATOM 0 HE3 TRP A 53 0.614 0.331 -1.390 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 3.230 0.462 -5.632 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -0.419 1.095 -3.490 1.00 0.00 H new ATOM 0 HH2 TRP A 53 0.873 1.155 -5.585 1.00 0.00 H new ATOM 749 N LEU A 54 3.535 2.304 -0.605 1.00 0.00 N ATOM 750 CA LEU A 54 3.101 3.480 -1.351 1.00 0.00 C ATOM 751 C LEU A 54 3.213 3.244 -2.854 1.00 0.00 C ATOM 752 O LEU A 54 4.050 2.464 -3.310 1.00 0.00 O ATOM 753 CB LEU A 54 3.934 4.698 -0.950 1.00 0.00 C ATOM 754 CG LEU A 54 3.663 5.269 0.442 1.00 0.00 C ATOM 755 CD1 LEU A 54 2.203 5.670 0.579 1.00 0.00 C ATOM 756 CD2 LEU A 54 4.044 4.259 1.515 1.00 0.00 C ATOM 0 H LEU A 54 4.474 1.981 -0.837 1.00 0.00 H new ATOM 0 HA LEU A 54 2.055 3.668 -1.109 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.988 4.428 -1.011 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.764 5.486 -1.683 1.00 0.00 H new ATOM 0 HG LEU A 54 4.277 6.160 0.575 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.029 6.074 1.576 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.962 6.428 -0.167 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.570 4.796 0.426 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.845 4.682 2.500 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.456 3.350 1.384 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.104 4.021 1.430 1.00 0.00 H new ATOM 768 N CYS A 55 2.367 3.924 -3.619 1.00 0.00 N ATOM 769 CA CYS A 55 2.371 3.791 -5.071 1.00 0.00 C ATOM 770 C CYS A 55 3.436 4.688 -5.696 1.00 0.00 C ATOM 771 O CYS A 55 4.085 5.473 -5.005 1.00 0.00 O ATOM 772 CB CYS A 55 0.995 4.141 -5.641 1.00 0.00 C ATOM 773 SG CYS A 55 0.622 5.924 -5.640 1.00 0.00 S ATOM 0 H CYS A 55 1.669 4.574 -3.257 1.00 0.00 H new ATOM 0 HA CYS A 55 2.604 2.755 -5.315 1.00 0.00 H new ATOM 0 HB2 CYS A 55 0.931 3.768 -6.663 1.00 0.00 H new ATOM 0 HB3 CYS A 55 0.231 3.620 -5.063 1.00 0.00 H new ATOM 778 N ARG A 56 3.609 4.566 -7.008 1.00 0.00 N ATOM 779 CA ARG A 56 4.595 5.364 -7.726 1.00 0.00 C ATOM 780 C ARG A 56 4.378 6.853 -7.472 1.00 0.00 C ATOM 781 O ARG A 56 5.285 7.553 -7.022 1.00 0.00 O ATOM 782 CB ARG A 56 4.521 5.076 -9.227 1.00 0.00 C ATOM 783 CG ARG A 56 5.402 5.986 -10.067 1.00 0.00 C ATOM 784 CD ARG A 56 5.752 5.347 -11.401 1.00 0.00 C ATOM 785 NE ARG A 56 6.343 6.307 -12.329 1.00 0.00 N ATOM 786 CZ ARG A 56 5.631 7.157 -13.060 1.00 0.00 C ATOM 787 NH1 ARG A 56 4.308 7.167 -12.971 1.00 0.00 N ATOM 788 NH2 ARG A 56 6.241 8.001 -13.883 1.00 0.00 N ATOM 0 H ARG A 56 3.079 3.922 -7.595 1.00 0.00 H new ATOM 0 HA ARG A 56 5.584 5.090 -7.359 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.810 4.040 -9.404 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.487 5.179 -9.557 1.00 0.00 H new ATOM 0 HG2 ARG A 56 4.889 6.932 -10.239 1.00 0.00 H new ATOM 0 HG3 ARG A 56 6.317 6.214 -9.520 1.00 0.00 H new ATOM 0 HD2 ARG A 56 6.449 4.525 -11.237 1.00 0.00 H new ATOM 0 HD3 ARG A 56 4.853 4.920 -11.845 1.00 0.00 H new ATOM 0 HE ARG A 56 7.359 6.326 -12.421 1.00 0.00 H new ATOM 0 HH11 ARG A 56 3.834 6.521 -12.340 1.00 0.00 H new ATOM 0 HH12 ARG A 56 3.764 7.821 -13.534 1.00 0.00 H new ATOM 0 HH21 ARG A 56 7.258 7.998 -13.955 1.00 0.00 H new ATOM 0 HH22 ARG A 56 5.692 8.653 -14.444 1.00 0.00 H new ATOM 802 N GLN A 57 3.172 7.329 -7.765 1.00 0.00 N ATOM 803 CA GLN A 57 2.838 8.734 -7.569 1.00 0.00 C ATOM 804 C GLN A 57 3.340 9.230 -6.217 1.00 0.00 C ATOM 805 O GLN A 57 3.808 10.363 -6.094 1.00 0.00 O ATOM 806 CB GLN A 57 1.325 8.939 -7.671 1.00 0.00 C ATOM 807 CG GLN A 57 0.774 8.717 -9.070 1.00 0.00 C ATOM 808 CD GLN A 57 1.238 9.772 -10.055 1.00 0.00 C ATOM 809 OE1 GLN A 57 1.132 10.971 -9.794 1.00 0.00 O ATOM 810 NE2 GLN A 57 1.757 9.331 -11.195 1.00 0.00 N ATOM 0 H GLN A 57 2.411 6.762 -8.139 1.00 0.00 H new ATOM 0 HA GLN A 57 3.330 9.311 -8.352 1.00 0.00 H new ATOM 0 HB2 GLN A 57 0.827 8.258 -6.981 1.00 0.00 H new ATOM 0 HB3 GLN A 57 1.082 9.952 -7.350 1.00 0.00 H new ATOM 0 HG2 GLN A 57 1.081 7.734 -9.425 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -0.315 8.716 -9.031 1.00 0.00 H new ATOM 0 HE21 GLN A 57 1.826 8.328 -11.370 1.00 0.00 H new ATOM 0 HE22 GLN A 57 2.087 9.995 -11.896 1.00 0.00 H new ATOM 819 N CYS A 58 3.240 8.376 -5.205 1.00 0.00 N ATOM 820 CA CYS A 58 3.684 8.726 -3.861 1.00 0.00 C ATOM 821 C CYS A 58 5.195 8.562 -3.726 1.00 0.00 C ATOM 822 O CYS A 58 5.925 9.540 -3.565 1.00 0.00 O ATOM 823 CB CYS A 58 2.971 7.857 -2.823 1.00 0.00 C ATOM 824 SG CYS A 58 1.173 8.134 -2.730 1.00 0.00 S ATOM 0 H CYS A 58 2.855 7.435 -5.290 1.00 0.00 H new ATOM 0 HA CYS A 58 3.433 9.772 -3.684 1.00 0.00 H new ATOM 0 HB2 CYS A 58 3.155 6.808 -3.055 1.00 0.00 H new ATOM 0 HB3 CYS A 58 3.408 8.048 -1.843 1.00 0.00 H new ATOM 829 N VAL A 59 5.658 7.317 -3.795 1.00 0.00 N ATOM 830 CA VAL A 59 7.081 7.024 -3.682 1.00 0.00 C ATOM 831 C VAL A 59 7.915 8.047 -4.445 1.00 0.00 C ATOM 832 O VAL A 59 9.040 8.362 -4.055 1.00 0.00 O ATOM 833 CB VAL A 59 7.407 5.614 -4.210 1.00 0.00 C ATOM 834 CG1 VAL A 59 8.904 5.353 -4.146 1.00 0.00 C ATOM 835 CG2 VAL A 59 6.640 4.561 -3.426 1.00 0.00 C ATOM 0 H VAL A 59 5.068 6.496 -3.929 1.00 0.00 H new ATOM 0 HA VAL A 59 7.332 7.074 -2.622 1.00 0.00 H new ATOM 0 HB VAL A 59 7.096 5.555 -5.253 1.00 0.00 H new ATOM 0 HG11 VAL A 59 9.115 4.352 -4.523 1.00 0.00 H new ATOM 0 HG12 VAL A 59 9.428 6.089 -4.756 1.00 0.00 H new ATOM 0 HG13 VAL A 59 9.243 5.431 -3.113 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.883 3.571 -3.813 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.917 4.617 -2.373 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.570 4.739 -3.529 1.00 0.00 H new ATOM 845 N PHE A 60 7.357 8.562 -5.536 1.00 0.00 N ATOM 846 CA PHE A 60 8.049 9.549 -6.355 1.00 0.00 C ATOM 847 C PHE A 60 7.856 10.955 -5.793 1.00 0.00 C ATOM 848 O PHE A 60 8.781 11.767 -5.791 1.00 0.00 O ATOM 849 CB PHE A 60 7.543 9.491 -7.798 1.00 0.00 C ATOM 850 CG PHE A 60 8.489 10.103 -8.791 1.00 0.00 C ATOM 851 CD1 PHE A 60 8.678 11.475 -8.833 1.00 0.00 C ATOM 852 CD2 PHE A 60 9.191 9.307 -9.681 1.00 0.00 C ATOM 853 CE1 PHE A 60 9.548 12.041 -9.746 1.00 0.00 C ATOM 854 CE2 PHE A 60 10.063 9.866 -10.596 1.00 0.00 C ATOM 855 CZ PHE A 60 10.242 11.235 -10.628 1.00 0.00 C ATOM 0 H PHE A 60 6.427 8.312 -5.873 1.00 0.00 H new ATOM 0 HA PHE A 60 9.113 9.314 -6.340 1.00 0.00 H new ATOM 0 HB2 PHE A 60 7.366 8.451 -8.071 1.00 0.00 H new ATOM 0 HB3 PHE A 60 6.583 10.004 -7.859 1.00 0.00 H new ATOM 0 HD1 PHE A 60 8.139 12.109 -8.145 1.00 0.00 H new ATOM 0 HD2 PHE A 60 9.055 8.236 -9.660 1.00 0.00 H new ATOM 0 HE1 PHE A 60 9.685 13.112 -9.770 1.00 0.00 H new ATOM 0 HE2 PHE A 60 10.603 9.233 -11.285 1.00 0.00 H new ATOM 0 HZ PHE A 60 10.923 11.675 -11.341 1.00 0.00 H new ATOM 865 N ALA A 61 6.647 11.234 -5.317 1.00 0.00 N ATOM 866 CA ALA A 61 6.332 12.540 -4.750 1.00 0.00 C ATOM 867 C ALA A 61 7.246 12.862 -3.573 1.00 0.00 C ATOM 868 O ALA A 61 7.638 14.012 -3.374 1.00 0.00 O ATOM 869 CB ALA A 61 4.874 12.590 -4.318 1.00 0.00 C ATOM 0 H ALA A 61 5.870 10.574 -5.313 1.00 0.00 H new ATOM 0 HA ALA A 61 6.497 13.293 -5.521 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.653 13.571 -3.897 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.232 12.413 -5.181 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.691 11.822 -3.566 1.00 0.00 H new ATOM 875 N THR A 62 7.581 11.839 -2.792 1.00 0.00 N ATOM 876 CA THR A 62 8.447 12.014 -1.633 1.00 0.00 C ATOM 877 C THR A 62 9.917 11.993 -2.036 1.00 0.00 C ATOM 878 O THR A 62 10.741 11.348 -1.387 1.00 0.00 O ATOM 879 CB THR A 62 8.200 10.921 -0.577 1.00 0.00 C ATOM 880 OG1 THR A 62 8.871 11.257 0.642 1.00 0.00 O ATOM 881 CG2 THR A 62 8.687 9.568 -1.074 1.00 0.00 C ATOM 0 H THR A 62 7.265 10.881 -2.942 1.00 0.00 H new ATOM 0 HA THR A 62 8.205 12.986 -1.202 1.00 0.00 H new ATOM 0 HB THR A 62 7.127 10.859 -0.395 1.00 0.00 H new ATOM 0 HG1 THR A 62 9.817 11.433 0.457 1.00 0.00 H new ATOM 0 HG21 THR A 62 8.502 8.812 -0.311 1.00 0.00 H new ATOM 0 HG22 THR A 62 8.153 9.302 -1.986 1.00 0.00 H new ATOM 0 HG23 THR A 62 9.756 9.620 -1.282 1.00 0.00 H new ATOM 889 N THR A 63 10.241 12.702 -3.113 1.00 0.00 N ATOM 890 CA THR A 63 11.612 12.764 -3.604 1.00 0.00 C ATOM 891 C THR A 63 12.576 13.165 -2.493 1.00 0.00 C ATOM 892 O THR A 63 12.283 14.055 -1.694 1.00 0.00 O ATOM 893 CB THR A 63 11.747 13.761 -4.770 1.00 0.00 C ATOM 894 OG1 THR A 63 10.878 13.380 -5.843 1.00 0.00 O ATOM 895 CG2 THR A 63 13.183 13.818 -5.269 1.00 0.00 C ATOM 0 H THR A 63 9.572 13.242 -3.662 1.00 0.00 H new ATOM 0 HA THR A 63 11.866 11.765 -3.959 1.00 0.00 H new ATOM 0 HB THR A 63 11.465 14.750 -4.409 1.00 0.00 H new ATOM 0 HG1 THR A 63 10.317 12.629 -5.558 1.00 0.00 H new ATOM 0 HG21 THR A 63 13.254 14.529 -6.092 1.00 0.00 H new ATOM 0 HG22 THR A 63 13.838 14.136 -4.458 1.00 0.00 H new ATOM 0 HG23 THR A 63 13.487 12.830 -5.615 1.00 0.00 H new ATOM 903 N THR A 64 13.728 12.503 -2.447 1.00 0.00 N ATOM 904 CA THR A 64 14.735 12.790 -1.434 1.00 0.00 C ATOM 905 C THR A 64 15.613 13.965 -1.849 1.00 0.00 C ATOM 906 O THR A 64 16.635 13.787 -2.512 1.00 0.00 O ATOM 907 CB THR A 64 15.629 11.565 -1.167 1.00 0.00 C ATOM 908 OG1 THR A 64 16.133 11.048 -2.403 1.00 0.00 O ATOM 909 CG2 THR A 64 14.855 10.479 -0.435 1.00 0.00 C ATOM 0 H THR A 64 13.986 11.764 -3.101 1.00 0.00 H new ATOM 0 HA THR A 64 14.199 13.045 -0.520 1.00 0.00 H new ATOM 0 HB THR A 64 16.462 11.881 -0.539 1.00 0.00 H new ATOM 0 HG1 THR A 64 16.534 11.776 -2.923 1.00 0.00 H new ATOM 0 HG21 THR A 64 15.507 9.624 -0.258 1.00 0.00 H new ATOM 0 HG22 THR A 64 14.498 10.867 0.519 1.00 0.00 H new ATOM 0 HG23 THR A 64 14.005 10.167 -1.041 1.00 0.00 H new ATOM 917 N LYS A 65 15.209 15.168 -1.454 1.00 0.00 N ATOM 918 CA LYS A 65 15.960 16.374 -1.783 1.00 0.00 C ATOM 919 C LYS A 65 16.211 17.216 -0.536 1.00 0.00 C ATOM 920 O LYS A 65 15.737 16.887 0.551 1.00 0.00 O ATOM 921 CB LYS A 65 15.205 17.201 -2.827 1.00 0.00 C ATOM 922 CG LYS A 65 15.438 16.738 -4.254 1.00 0.00 C ATOM 923 CD LYS A 65 16.714 17.328 -4.831 1.00 0.00 C ATOM 924 CE LYS A 65 17.230 16.504 -6.000 1.00 0.00 C ATOM 925 NZ LYS A 65 17.909 15.259 -5.545 1.00 0.00 N ATOM 0 H LYS A 65 14.365 15.334 -0.905 1.00 0.00 H new ATOM 0 HA LYS A 65 16.923 16.071 -2.195 1.00 0.00 H new ATOM 0 HB2 LYS A 65 14.138 17.158 -2.610 1.00 0.00 H new ATOM 0 HB3 LYS A 65 15.507 18.245 -2.739 1.00 0.00 H new ATOM 0 HG2 LYS A 65 15.495 15.650 -4.279 1.00 0.00 H new ATOM 0 HG3 LYS A 65 14.590 17.027 -4.874 1.00 0.00 H new ATOM 0 HD2 LYS A 65 16.527 18.350 -5.160 1.00 0.00 H new ATOM 0 HD3 LYS A 65 17.477 17.377 -4.054 1.00 0.00 H new ATOM 0 HE2 LYS A 65 16.399 16.245 -6.656 1.00 0.00 H new ATOM 0 HE3 LYS A 65 17.926 17.103 -6.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 18.349 14.786 -6.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 18.641 15.498 -4.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 17.211 14.622 -5.110 1.00 0.00 H new ATOM 939 N ARG A 66 16.956 18.303 -0.702 1.00 0.00 N ATOM 940 CA ARG A 66 17.269 19.192 0.410 1.00 0.00 C ATOM 941 C ARG A 66 17.775 20.540 -0.097 1.00 0.00 C ATOM 942 O ARG A 66 18.818 20.619 -0.744 1.00 0.00 O ATOM 943 CB ARG A 66 18.317 18.553 1.323 1.00 0.00 C ATOM 944 CG ARG A 66 18.766 19.455 2.461 1.00 0.00 C ATOM 945 CD ARG A 66 19.501 18.670 3.536 1.00 0.00 C ATOM 946 NE ARG A 66 18.592 18.155 4.556 1.00 0.00 N ATOM 947 CZ ARG A 66 17.913 18.930 5.395 1.00 0.00 C ATOM 948 NH1 ARG A 66 18.039 20.248 5.334 1.00 0.00 N ATOM 949 NH2 ARG A 66 17.105 18.386 6.296 1.00 0.00 N ATOM 0 H ARG A 66 17.354 18.590 -1.596 1.00 0.00 H new ATOM 0 HA ARG A 66 16.354 19.357 0.979 1.00 0.00 H new ATOM 0 HB2 ARG A 66 17.910 17.632 1.740 1.00 0.00 H new ATOM 0 HB3 ARG A 66 19.186 18.276 0.726 1.00 0.00 H new ATOM 0 HG2 ARG A 66 19.417 20.238 2.071 1.00 0.00 H new ATOM 0 HG3 ARG A 66 17.899 19.950 2.899 1.00 0.00 H new ATOM 0 HD2 ARG A 66 20.037 17.840 3.076 1.00 0.00 H new ATOM 0 HD3 ARG A 66 20.248 19.310 4.006 1.00 0.00 H new ATOM 0 HE ARG A 66 18.472 17.145 4.628 1.00 0.00 H new ATOM 0 HH11 ARG A 66 18.658 20.670 4.642 1.00 0.00 H new ATOM 0 HH12 ARG A 66 17.517 20.841 5.979 1.00 0.00 H new ATOM 0 HH21 ARG A 66 17.005 17.372 6.345 1.00 0.00 H new ATOM 0 HH22 ARG A 66 16.584 18.982 6.940 1.00 0.00 H new TER 963 ARG A 66 HETATM 964 ZN ZN A 201 -4.554 -4.117 -12.590 1.00 0.00 ZN HETATM 965 ZN ZN A 401 -0.179 6.548 -3.651 1.00 0.00 ZN