USER MOD reduce.3.24.130724 H: found=0, std=0, add=643, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 639 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 Single : A 1 GLY N :NH3+ -150:sc= 0.0052 (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 8 HIS : no HD1:sc= -0.123 X(o=-0.12,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.0485 K(o=-0.049,f=-1.5!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 154:sc= -0.0607 (180deg=-0.413) USER MOD Single : A 40 ASN : amide:sc= -1.92 K(o=-1.9,f=-3.2) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= -3.82 X(o=-3.8,f=-3.8) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 CYS SG : rot 180:sc= -0.157 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= -0.194 K(o=-0.19,f=-1.5) USER MOD Single : A 79 GLN : amide:sc= -0.0136 X(o=-0.014,f=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.139 USER MOD Single : A 82 GLN : amide:sc= -0.0791 X(o=-0.079,f=-0.47) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 41:sc= 0.72 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.822 24.413 39.624 1.00 0.00 N ATOM 2 CA GLY A 1 -8.273 24.371 39.626 1.00 0.00 C ATOM 3 C GLY A 1 -8.838 23.800 38.340 1.00 0.00 C ATOM 4 O GLY A 1 -8.285 22.855 37.777 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.470 24.309 40.597 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.453 23.637 39.038 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.502 25.323 39.236 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.615 23.769 40.468 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.662 25.378 39.775 1.00 0.00 H new ATOM 8 N SER A 2 -9.944 24.372 37.876 1.00 0.00 N ATOM 9 CA SER A 2 -10.588 23.910 36.652 1.00 0.00 C ATOM 10 C SER A 2 -10.790 25.064 35.675 1.00 0.00 C ATOM 11 O SER A 2 -10.625 26.231 36.032 1.00 0.00 O ATOM 12 CB SER A 2 -11.934 23.258 36.973 1.00 0.00 C ATOM 13 OG SER A 2 -11.895 22.600 38.228 1.00 0.00 O ATOM 0 H SER A 2 -10.413 25.156 38.329 1.00 0.00 H new ATOM 0 HA SER A 2 -9.936 23.171 36.185 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.717 24.017 36.981 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.191 22.543 36.192 1.00 0.00 H new ATOM 0 HG SER A 2 -12.767 22.193 38.411 1.00 0.00 H new ATOM 19 N SER A 3 -11.147 24.730 34.439 1.00 0.00 N ATOM 20 CA SER A 3 -11.367 25.737 33.408 1.00 0.00 C ATOM 21 C SER A 3 -12.666 25.466 32.653 1.00 0.00 C ATOM 22 O SER A 3 -13.431 26.385 32.363 1.00 0.00 O ATOM 23 CB SER A 3 -10.191 25.762 32.430 1.00 0.00 C ATOM 24 OG SER A 3 -10.319 26.829 31.506 1.00 0.00 O ATOM 0 H SER A 3 -11.290 23.769 34.127 1.00 0.00 H new ATOM 0 HA SER A 3 -11.446 26.709 33.895 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.257 25.865 32.982 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.141 24.815 31.892 1.00 0.00 H new ATOM 0 HG SER A 3 -9.554 26.824 30.893 1.00 0.00 H new ATOM 30 N GLY A 4 -12.907 24.197 32.339 1.00 0.00 N ATOM 31 CA GLY A 4 -14.112 23.827 31.621 1.00 0.00 C ATOM 32 C GLY A 4 -13.880 23.689 30.130 1.00 0.00 C ATOM 33 O GLY A 4 -13.474 24.643 29.467 1.00 0.00 O ATOM 0 H GLY A 4 -12.289 23.419 32.569 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.491 22.884 32.015 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.882 24.578 31.798 1.00 0.00 H new ATOM 37 N SER A 5 -14.135 22.496 29.601 1.00 0.00 N ATOM 38 CA SER A 5 -13.946 22.235 28.179 1.00 0.00 C ATOM 39 C SER A 5 -12.498 22.486 27.768 1.00 0.00 C ATOM 40 O SER A 5 -12.131 23.601 27.397 1.00 0.00 O ATOM 41 CB SER A 5 -14.883 23.113 27.348 1.00 0.00 C ATOM 42 OG SER A 5 -16.237 22.893 27.703 1.00 0.00 O ATOM 0 H SER A 5 -14.473 21.696 30.136 1.00 0.00 H new ATOM 0 HA SER A 5 -14.182 21.187 27.993 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.631 24.163 27.498 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.742 22.899 26.288 1.00 0.00 H new ATOM 0 HG SER A 5 -16.815 23.467 27.159 1.00 0.00 H new ATOM 48 N SER A 6 -11.680 21.441 27.839 1.00 0.00 N ATOM 49 CA SER A 6 -10.271 21.547 27.478 1.00 0.00 C ATOM 50 C SER A 6 -9.934 20.611 26.322 1.00 0.00 C ATOM 51 O SER A 6 -10.812 19.959 25.760 1.00 0.00 O ATOM 52 CB SER A 6 -9.388 21.224 28.685 1.00 0.00 C ATOM 53 OG SER A 6 -9.548 22.192 29.708 1.00 0.00 O ATOM 0 H SER A 6 -11.969 20.511 28.143 1.00 0.00 H new ATOM 0 HA SER A 6 -10.079 22.572 27.160 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.642 20.237 29.071 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.343 21.186 28.376 1.00 0.00 H new ATOM 0 HG SER A 6 -8.975 21.962 30.469 1.00 0.00 H new ATOM 59 N GLY A 7 -8.652 20.551 25.972 1.00 0.00 N ATOM 60 CA GLY A 7 -8.220 19.693 24.884 1.00 0.00 C ATOM 61 C GLY A 7 -8.252 20.397 23.542 1.00 0.00 C ATOM 62 O GLY A 7 -9.216 20.265 22.787 1.00 0.00 O ATOM 0 H GLY A 7 -7.906 21.081 26.422 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.207 19.342 25.082 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.861 18.812 24.844 1.00 0.00 H new ATOM 66 N HIS A 8 -7.198 21.149 23.245 1.00 0.00 N ATOM 67 CA HIS A 8 -7.110 21.878 21.984 1.00 0.00 C ATOM 68 C HIS A 8 -5.715 22.467 21.793 1.00 0.00 C ATOM 69 O HIS A 8 -5.565 23.583 21.296 1.00 0.00 O ATOM 70 CB HIS A 8 -8.157 22.991 21.941 1.00 0.00 C ATOM 71 CG HIS A 8 -8.571 23.370 20.552 1.00 0.00 C ATOM 72 ND1 HIS A 8 -9.840 23.810 20.239 1.00 0.00 N ATOM 73 CD2 HIS A 8 -7.876 23.373 19.391 1.00 0.00 C ATOM 74 CE1 HIS A 8 -9.908 24.067 18.945 1.00 0.00 C ATOM 75 NE2 HIS A 8 -8.729 23.810 18.407 1.00 0.00 N ATOM 0 H HIS A 8 -6.393 21.270 23.859 1.00 0.00 H new ATOM 0 HA HIS A 8 -7.303 21.176 21.172 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -9.037 22.673 22.500 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -7.760 23.872 22.446 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -6.843 23.085 19.262 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -10.779 24.426 18.417 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -8.491 23.918 17.421 1.00 0.00 H new ATOM 83 N SER A 9 -4.698 21.710 22.192 1.00 0.00 N ATOM 84 CA SER A 9 -3.317 22.159 22.069 1.00 0.00 C ATOM 85 C SER A 9 -2.385 20.982 21.798 1.00 0.00 C ATOM 86 O SER A 9 -1.700 20.497 22.699 1.00 0.00 O ATOM 87 CB SER A 9 -2.880 22.887 23.342 1.00 0.00 C ATOM 88 OG SER A 9 -3.644 24.063 23.545 1.00 0.00 O ATOM 0 H SER A 9 -4.805 20.783 22.603 1.00 0.00 H new ATOM 0 HA SER A 9 -3.259 22.848 21.226 1.00 0.00 H new ATOM 0 HB2 SER A 9 -2.992 22.224 24.200 1.00 0.00 H new ATOM 0 HB3 SER A 9 -1.823 23.144 23.273 1.00 0.00 H new ATOM 0 HG SER A 9 -3.346 24.509 24.365 1.00 0.00 H new ATOM 94 N SER A 10 -2.366 20.526 20.549 1.00 0.00 N ATOM 95 CA SER A 10 -1.521 19.403 20.159 1.00 0.00 C ATOM 96 C SER A 10 -0.861 19.664 18.808 1.00 0.00 C ATOM 97 O SER A 10 -1.507 19.583 17.764 1.00 0.00 O ATOM 98 CB SER A 10 -2.345 18.115 20.096 1.00 0.00 C ATOM 99 OG SER A 10 -1.602 17.062 19.508 1.00 0.00 O ATOM 0 H SER A 10 -2.925 20.917 19.791 1.00 0.00 H new ATOM 0 HA SER A 10 -0.740 19.290 20.910 1.00 0.00 H new ATOM 0 HB2 SER A 10 -2.655 17.828 21.101 1.00 0.00 H new ATOM 0 HB3 SER A 10 -3.254 18.289 19.520 1.00 0.00 H new ATOM 0 HG SER A 10 -2.150 16.250 19.481 1.00 0.00 H new ATOM 105 N ALA A 11 0.430 19.976 18.838 1.00 0.00 N ATOM 106 CA ALA A 11 1.179 20.247 17.617 1.00 0.00 C ATOM 107 C ALA A 11 2.356 19.289 17.471 1.00 0.00 C ATOM 108 O ALA A 11 2.983 18.907 18.459 1.00 0.00 O ATOM 109 CB ALA A 11 1.665 21.689 17.605 1.00 0.00 C ATOM 0 H ALA A 11 0.979 20.047 19.694 1.00 0.00 H new ATOM 0 HA ALA A 11 0.512 20.093 16.769 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.223 21.877 16.688 1.00 0.00 H new ATOM 0 HB2 ALA A 11 0.809 22.362 17.654 1.00 0.00 H new ATOM 0 HB3 ALA A 11 2.312 21.862 18.465 1.00 0.00 H new ATOM 115 N GLN A 12 2.650 18.903 16.234 1.00 0.00 N ATOM 116 CA GLN A 12 3.752 17.988 15.960 1.00 0.00 C ATOM 117 C GLN A 12 4.214 18.110 14.512 1.00 0.00 C ATOM 118 O GLN A 12 3.401 18.267 13.601 1.00 0.00 O ATOM 119 CB GLN A 12 3.330 16.547 16.254 1.00 0.00 C ATOM 120 CG GLN A 12 4.423 15.714 16.904 1.00 0.00 C ATOM 121 CD GLN A 12 3.873 14.679 17.866 1.00 0.00 C ATOM 122 OE1 GLN A 12 3.296 13.674 17.450 1.00 0.00 O ATOM 123 NE2 GLN A 12 4.050 14.919 19.160 1.00 0.00 N ATOM 0 H GLN A 12 2.140 19.210 15.405 1.00 0.00 H new ATOM 0 HA GLN A 12 4.584 18.256 16.611 1.00 0.00 H new ATOM 0 HB2 GLN A 12 2.457 16.559 16.907 1.00 0.00 H new ATOM 0 HB3 GLN A 12 3.026 16.069 15.323 1.00 0.00 H new ATOM 0 HG2 GLN A 12 5.002 15.212 16.129 1.00 0.00 H new ATOM 0 HG3 GLN A 12 5.108 16.373 17.438 1.00 0.00 H new ATOM 0 HE21 GLN A 12 4.534 15.765 19.460 1.00 0.00 H new ATOM 0 HE22 GLN A 12 3.702 14.257 19.854 1.00 0.00 H new ATOM 132 N PHE A 13 5.525 18.038 14.307 1.00 0.00 N ATOM 133 CA PHE A 13 6.097 18.142 12.970 1.00 0.00 C ATOM 134 C PHE A 13 7.069 16.997 12.703 1.00 0.00 C ATOM 135 O PHE A 13 7.958 16.723 13.510 1.00 0.00 O ATOM 136 CB PHE A 13 6.813 19.483 12.801 1.00 0.00 C ATOM 137 CG PHE A 13 6.216 20.351 11.729 1.00 0.00 C ATOM 138 CD1 PHE A 13 6.630 20.232 10.413 1.00 0.00 C ATOM 139 CD2 PHE A 13 5.241 21.285 12.039 1.00 0.00 C ATOM 140 CE1 PHE A 13 6.082 21.028 9.424 1.00 0.00 C ATOM 141 CE2 PHE A 13 4.689 22.084 11.055 1.00 0.00 C ATOM 142 CZ PHE A 13 5.112 21.956 9.746 1.00 0.00 C ATOM 0 H PHE A 13 6.211 17.908 15.050 1.00 0.00 H new ATOM 0 HA PHE A 13 5.282 18.079 12.248 1.00 0.00 H new ATOM 0 HB2 PHE A 13 6.788 20.021 13.749 1.00 0.00 H new ATOM 0 HB3 PHE A 13 7.861 19.299 12.566 1.00 0.00 H new ATOM 0 HD1 PHE A 13 7.390 19.509 10.156 1.00 0.00 H new ATOM 0 HD2 PHE A 13 4.908 21.390 13.061 1.00 0.00 H new ATOM 0 HE1 PHE A 13 6.412 20.924 8.401 1.00 0.00 H new ATOM 0 HE2 PHE A 13 3.928 22.807 11.309 1.00 0.00 H new ATOM 0 HZ PHE A 13 4.684 22.581 8.976 1.00 0.00 H new ATOM 152 N ILE A 14 6.892 16.331 11.567 1.00 0.00 N ATOM 153 CA ILE A 14 7.754 15.216 11.193 1.00 0.00 C ATOM 154 C ILE A 14 8.171 15.310 9.729 1.00 0.00 C ATOM 155 O ILE A 14 7.383 15.020 8.829 1.00 0.00 O ATOM 156 CB ILE A 14 7.058 13.863 11.431 1.00 0.00 C ATOM 157 CG1 ILE A 14 6.547 13.774 12.871 1.00 0.00 C ATOM 158 CG2 ILE A 14 8.012 12.717 11.130 1.00 0.00 C ATOM 159 CD1 ILE A 14 5.732 12.529 13.147 1.00 0.00 C ATOM 0 H ILE A 14 6.160 16.544 10.890 1.00 0.00 H new ATOM 0 HA ILE A 14 8.640 15.276 11.825 1.00 0.00 H new ATOM 0 HB ILE A 14 6.205 13.786 10.757 1.00 0.00 H new ATOM 0 HG12 ILE A 14 7.398 13.800 13.552 1.00 0.00 H new ATOM 0 HG13 ILE A 14 5.939 14.652 13.087 1.00 0.00 H new ATOM 0 HG21 ILE A 14 7.506 11.767 11.303 1.00 0.00 H new ATOM 0 HG22 ILE A 14 8.332 12.774 10.090 1.00 0.00 H new ATOM 0 HG23 ILE A 14 8.883 12.788 11.782 1.00 0.00 H new ATOM 0 HD11 ILE A 14 5.403 12.533 14.186 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.862 12.511 12.491 1.00 0.00 H new ATOM 0 HD13 ILE A 14 6.344 11.646 12.963 1.00 0.00 H new ATOM 171 N ASP A 15 9.415 15.715 9.499 1.00 0.00 N ATOM 172 CA ASP A 15 9.939 15.844 8.144 1.00 0.00 C ATOM 173 C ASP A 15 11.138 14.925 7.935 1.00 0.00 C ATOM 174 O ASP A 15 12.182 15.353 7.443 1.00 0.00 O ATOM 175 CB ASP A 15 10.337 17.294 7.865 1.00 0.00 C ATOM 176 CG ASP A 15 10.171 17.669 6.405 1.00 0.00 C ATOM 177 OD1 ASP A 15 10.244 16.764 5.548 1.00 0.00 O ATOM 178 OD2 ASP A 15 9.967 18.868 6.121 1.00 0.00 O ATOM 0 H ASP A 15 10.079 15.960 10.233 1.00 0.00 H new ATOM 0 HA ASP A 15 9.154 15.550 7.447 1.00 0.00 H new ATOM 0 HB2 ASP A 15 9.730 17.959 8.479 1.00 0.00 H new ATOM 0 HB3 ASP A 15 11.375 17.446 8.161 1.00 0.00 H new ATOM 183 N SER A 16 10.982 13.661 8.315 1.00 0.00 N ATOM 184 CA SER A 16 12.053 12.682 8.173 1.00 0.00 C ATOM 185 C SER A 16 11.502 11.335 7.716 1.00 0.00 C ATOM 186 O SER A 16 10.303 11.076 7.818 1.00 0.00 O ATOM 187 CB SER A 16 12.800 12.517 9.499 1.00 0.00 C ATOM 188 OG SER A 16 14.130 12.996 9.398 1.00 0.00 O ATOM 0 H SER A 16 10.124 13.291 8.724 1.00 0.00 H new ATOM 0 HA SER A 16 12.747 13.046 7.415 1.00 0.00 H new ATOM 0 HB2 SER A 16 12.274 13.058 10.286 1.00 0.00 H new ATOM 0 HB3 SER A 16 12.810 11.466 9.786 1.00 0.00 H new ATOM 0 HG SER A 16 14.585 12.881 10.258 1.00 0.00 H new ATOM 194 N TYR A 17 12.386 10.481 7.213 1.00 0.00 N ATOM 195 CA TYR A 17 11.990 9.161 6.737 1.00 0.00 C ATOM 196 C TYR A 17 12.869 8.075 7.348 1.00 0.00 C ATOM 197 O TYR A 17 14.066 7.999 7.069 1.00 0.00 O ATOM 198 CB TYR A 17 12.071 9.100 5.211 1.00 0.00 C ATOM 199 CG TYR A 17 11.463 10.302 4.524 1.00 0.00 C ATOM 200 CD1 TYR A 17 10.210 10.778 4.892 1.00 0.00 C ATOM 201 CD2 TYR A 17 12.140 10.961 3.505 1.00 0.00 C ATOM 202 CE1 TYR A 17 9.650 11.875 4.267 1.00 0.00 C ATOM 203 CE2 TYR A 17 11.588 12.059 2.875 1.00 0.00 C ATOM 204 CZ TYR A 17 10.343 12.512 3.259 1.00 0.00 C ATOM 205 OH TYR A 17 9.789 13.606 2.633 1.00 0.00 O ATOM 0 H TYR A 17 13.383 10.679 7.124 1.00 0.00 H new ATOM 0 HA TYR A 17 10.960 8.986 7.047 1.00 0.00 H new ATOM 0 HB2 TYR A 17 13.116 9.012 4.914 1.00 0.00 H new ATOM 0 HB3 TYR A 17 11.565 8.199 4.864 1.00 0.00 H new ATOM 0 HD1 TYR A 17 9.665 10.281 5.681 1.00 0.00 H new ATOM 0 HD2 TYR A 17 13.114 10.609 3.201 1.00 0.00 H new ATOM 0 HE1 TYR A 17 8.675 12.232 4.566 1.00 0.00 H new ATOM 0 HE2 TYR A 17 12.128 12.560 2.086 1.00 0.00 H new ATOM 0 HH TYR A 17 10.406 13.938 1.948 1.00 0.00 H new ATOM 215 N ILE A 18 12.266 7.236 8.184 1.00 0.00 N ATOM 216 CA ILE A 18 12.993 6.152 8.834 1.00 0.00 C ATOM 217 C ILE A 18 12.463 4.792 8.391 1.00 0.00 C ATOM 218 O ILE A 18 11.259 4.539 8.432 1.00 0.00 O ATOM 219 CB ILE A 18 12.900 6.252 10.368 1.00 0.00 C ATOM 220 CG1 ILE A 18 13.222 7.676 10.828 1.00 0.00 C ATOM 221 CG2 ILE A 18 13.841 5.252 11.022 1.00 0.00 C ATOM 222 CD1 ILE A 18 14.591 8.154 10.398 1.00 0.00 C ATOM 0 H ILE A 18 11.277 7.286 8.427 1.00 0.00 H new ATOM 0 HA ILE A 18 14.037 6.248 8.535 1.00 0.00 H new ATOM 0 HB ILE A 18 11.881 6.014 10.672 1.00 0.00 H new ATOM 0 HG12 ILE A 18 12.468 8.356 10.433 1.00 0.00 H new ATOM 0 HG13 ILE A 18 13.155 7.722 11.915 1.00 0.00 H new ATOM 0 HG21 ILE A 18 13.764 5.335 12.106 1.00 0.00 H new ATOM 0 HG22 ILE A 18 13.569 4.242 10.715 1.00 0.00 H new ATOM 0 HG23 ILE A 18 14.865 5.461 10.714 1.00 0.00 H new ATOM 0 HD11 ILE A 18 14.751 9.170 10.758 1.00 0.00 H new ATOM 0 HD12 ILE A 18 15.354 7.496 10.815 1.00 0.00 H new ATOM 0 HD13 ILE A 18 14.656 8.140 9.310 1.00 0.00 H new ATOM 234 N CYS A 19 13.372 3.918 7.970 1.00 0.00 N ATOM 235 CA CYS A 19 12.998 2.583 7.521 1.00 0.00 C ATOM 236 C CYS A 19 12.132 1.881 8.564 1.00 0.00 C ATOM 237 O CYS A 19 12.208 2.185 9.754 1.00 0.00 O ATOM 238 CB CYS A 19 14.248 1.749 7.236 1.00 0.00 C ATOM 239 SG CYS A 19 13.923 0.211 6.316 1.00 0.00 S ATOM 0 H CYS A 19 14.373 4.111 7.931 1.00 0.00 H new ATOM 0 HA CYS A 19 12.420 2.685 6.603 1.00 0.00 H new ATOM 0 HB2 CYS A 19 14.955 2.356 6.670 1.00 0.00 H new ATOM 0 HB3 CYS A 19 14.728 1.499 8.182 1.00 0.00 H new ATOM 244 N GLN A 20 11.312 0.940 8.107 1.00 0.00 N ATOM 245 CA GLN A 20 10.432 0.195 9.001 1.00 0.00 C ATOM 246 C GLN A 20 10.916 -1.242 9.167 1.00 0.00 C ATOM 247 O GLN A 20 10.143 -2.130 9.526 1.00 0.00 O ATOM 248 CB GLN A 20 9.000 0.205 8.465 1.00 0.00 C ATOM 249 CG GLN A 20 8.203 1.431 8.881 1.00 0.00 C ATOM 250 CD GLN A 20 7.727 1.357 10.318 1.00 0.00 C ATOM 251 OE1 GLN A 20 7.823 0.312 10.964 1.00 0.00 O ATOM 252 NE2 GLN A 20 7.209 2.468 10.829 1.00 0.00 N ATOM 0 H GLN A 20 11.238 0.675 7.125 1.00 0.00 H new ATOM 0 HA GLN A 20 10.450 0.680 9.977 1.00 0.00 H new ATOM 0 HB2 GLN A 20 9.028 0.152 7.377 1.00 0.00 H new ATOM 0 HB3 GLN A 20 8.484 -0.689 8.814 1.00 0.00 H new ATOM 0 HG2 GLN A 20 8.819 2.321 8.752 1.00 0.00 H new ATOM 0 HG3 GLN A 20 7.342 1.541 8.222 1.00 0.00 H new ATOM 0 HE21 GLN A 20 7.148 3.312 10.259 1.00 0.00 H new ATOM 0 HE22 GLN A 20 6.872 2.478 11.792 1.00 0.00 H new ATOM 261 N VAL A 21 12.200 -1.463 8.905 1.00 0.00 N ATOM 262 CA VAL A 21 12.787 -2.792 9.026 1.00 0.00 C ATOM 263 C VAL A 21 14.082 -2.749 9.829 1.00 0.00 C ATOM 264 O VAL A 21 14.327 -3.606 10.679 1.00 0.00 O ATOM 265 CB VAL A 21 13.073 -3.408 7.644 1.00 0.00 C ATOM 266 CG1 VAL A 21 13.713 -4.780 7.792 1.00 0.00 C ATOM 267 CG2 VAL A 21 11.794 -3.494 6.824 1.00 0.00 C ATOM 0 H VAL A 21 12.854 -0.739 8.608 1.00 0.00 H new ATOM 0 HA VAL A 21 12.059 -3.413 9.548 1.00 0.00 H new ATOM 0 HB VAL A 21 13.774 -2.761 7.116 1.00 0.00 H new ATOM 0 HG11 VAL A 21 13.908 -5.199 6.805 1.00 0.00 H new ATOM 0 HG12 VAL A 21 14.652 -4.687 8.338 1.00 0.00 H new ATOM 0 HG13 VAL A 21 13.039 -5.439 8.339 1.00 0.00 H new ATOM 0 HG21 VAL A 21 12.015 -3.932 5.850 1.00 0.00 H new ATOM 0 HG22 VAL A 21 11.068 -4.118 7.346 1.00 0.00 H new ATOM 0 HG23 VAL A 21 11.382 -2.494 6.687 1.00 0.00 H new ATOM 277 N CYS A 22 14.909 -1.746 9.554 1.00 0.00 N ATOM 278 CA CYS A 22 16.181 -1.590 10.250 1.00 0.00 C ATOM 279 C CYS A 22 16.193 -0.309 11.079 1.00 0.00 C ATOM 280 O CYS A 22 17.026 -0.142 11.970 1.00 0.00 O ATOM 281 CB CYS A 22 17.336 -1.573 9.248 1.00 0.00 C ATOM 282 SG CYS A 22 17.290 -0.173 8.083 1.00 0.00 S ATOM 0 H CYS A 22 14.721 -1.029 8.854 1.00 0.00 H new ATOM 0 HA CYS A 22 16.305 -2.439 10.922 1.00 0.00 H new ATOM 0 HB2 CYS A 22 18.278 -1.545 9.796 1.00 0.00 H new ATOM 0 HB3 CYS A 22 17.325 -2.504 8.681 1.00 0.00 H new ATOM 287 N SER A 23 15.264 0.592 10.780 1.00 0.00 N ATOM 288 CA SER A 23 15.170 1.860 11.494 1.00 0.00 C ATOM 289 C SER A 23 16.419 2.705 11.268 1.00 0.00 C ATOM 290 O SER A 23 17.162 2.999 12.205 1.00 0.00 O ATOM 291 CB SER A 23 14.972 1.612 12.991 1.00 0.00 C ATOM 292 OG SER A 23 14.088 0.528 13.216 1.00 0.00 O ATOM 0 H SER A 23 14.565 0.468 10.048 1.00 0.00 H new ATOM 0 HA SER A 23 14.309 2.405 11.106 1.00 0.00 H new ATOM 0 HB2 SER A 23 15.934 1.404 13.459 1.00 0.00 H new ATOM 0 HB3 SER A 23 14.577 2.512 13.463 1.00 0.00 H new ATOM 0 HG SER A 23 13.980 0.389 14.180 1.00 0.00 H new ATOM 298 N ARG A 24 16.645 3.093 10.017 1.00 0.00 N ATOM 299 CA ARG A 24 17.805 3.904 9.666 1.00 0.00 C ATOM 300 C ARG A 24 17.377 5.192 8.968 1.00 0.00 C ATOM 301 O ARG A 24 16.188 5.437 8.769 1.00 0.00 O ATOM 302 CB ARG A 24 18.752 3.112 8.762 1.00 0.00 C ATOM 303 CG ARG A 24 19.724 2.226 9.525 1.00 0.00 C ATOM 304 CD ARG A 24 20.788 3.049 10.235 1.00 0.00 C ATOM 305 NE ARG A 24 21.528 2.258 11.214 1.00 0.00 N ATOM 306 CZ ARG A 24 22.446 2.768 12.028 1.00 0.00 C ATOM 307 NH1 ARG A 24 22.735 4.061 11.980 1.00 0.00 N ATOM 308 NH2 ARG A 24 23.077 1.984 12.893 1.00 0.00 N ATOM 0 H ARG A 24 16.040 2.859 9.230 1.00 0.00 H new ATOM 0 HA ARG A 24 18.326 4.166 10.587 1.00 0.00 H new ATOM 0 HB2 ARG A 24 18.162 2.492 8.087 1.00 0.00 H new ATOM 0 HB3 ARG A 24 19.318 3.809 8.143 1.00 0.00 H new ATOM 0 HG2 ARG A 24 19.178 1.628 10.255 1.00 0.00 H new ATOM 0 HG3 ARG A 24 20.201 1.529 8.836 1.00 0.00 H new ATOM 0 HD2 ARG A 24 21.482 3.457 9.500 1.00 0.00 H new ATOM 0 HD3 ARG A 24 20.318 3.896 10.734 1.00 0.00 H new ATOM 0 HE ARG A 24 21.329 1.259 11.276 1.00 0.00 H new ATOM 0 HH11 ARG A 24 22.252 4.667 11.317 1.00 0.00 H new ATOM 0 HH12 ARG A 24 23.440 4.450 12.606 1.00 0.00 H new ATOM 0 HH21 ARG A 24 22.857 0.989 12.933 1.00 0.00 H new ATOM 0 HH22 ARG A 24 23.782 2.377 13.517 1.00 0.00 H new ATOM 322 N GLY A 25 18.357 6.012 8.599 1.00 0.00 N ATOM 323 CA GLY A 25 18.061 7.265 7.929 1.00 0.00 C ATOM 324 C GLY A 25 19.046 7.574 6.818 1.00 0.00 C ATOM 325 O GLY A 25 18.660 8.057 5.754 1.00 0.00 O ATOM 0 H GLY A 25 19.349 5.831 8.752 1.00 0.00 H new ATOM 0 HA2 GLY A 25 17.053 7.224 7.516 1.00 0.00 H new ATOM 0 HA3 GLY A 25 18.074 8.075 8.658 1.00 0.00 H new ATOM 329 N ASP A 26 20.321 7.298 7.067 1.00 0.00 N ATOM 330 CA ASP A 26 21.365 7.551 6.080 1.00 0.00 C ATOM 331 C ASP A 26 21.097 6.774 4.795 1.00 0.00 C ATOM 332 O ASP A 26 21.588 7.136 3.726 1.00 0.00 O ATOM 333 CB ASP A 26 22.734 7.169 6.645 1.00 0.00 C ATOM 334 CG ASP A 26 23.731 8.308 6.564 1.00 0.00 C ATOM 335 OD1 ASP A 26 23.468 9.371 7.165 1.00 0.00 O ATOM 336 OD2 ASP A 26 24.775 8.138 5.899 1.00 0.00 O ATOM 0 H ASP A 26 20.657 6.899 7.944 1.00 0.00 H new ATOM 0 HA ASP A 26 21.361 8.616 5.848 1.00 0.00 H new ATOM 0 HB2 ASP A 26 22.622 6.861 7.685 1.00 0.00 H new ATOM 0 HB3 ASP A 26 23.123 6.310 6.098 1.00 0.00 H new ATOM 341 N GLU A 27 20.316 5.704 4.908 1.00 0.00 N ATOM 342 CA GLU A 27 19.985 4.875 3.755 1.00 0.00 C ATOM 343 C GLU A 27 18.808 5.463 2.982 1.00 0.00 C ATOM 344 O GLU A 27 18.377 4.910 1.970 1.00 0.00 O ATOM 345 CB GLU A 27 19.655 3.449 4.201 1.00 0.00 C ATOM 346 CG GLU A 27 20.881 2.576 4.405 1.00 0.00 C ATOM 347 CD GLU A 27 21.635 2.319 3.115 1.00 0.00 C ATOM 348 OE1 GLU A 27 21.010 2.402 2.037 1.00 0.00 O ATOM 349 OE2 GLU A 27 22.849 2.035 3.183 1.00 0.00 O ATOM 0 H GLU A 27 19.901 5.391 5.786 1.00 0.00 H new ATOM 0 HA GLU A 27 20.854 4.850 3.097 1.00 0.00 H new ATOM 0 HB2 GLU A 27 19.090 3.490 5.132 1.00 0.00 H new ATOM 0 HB3 GLU A 27 19.009 2.985 3.456 1.00 0.00 H new ATOM 0 HG2 GLU A 27 21.548 3.055 5.122 1.00 0.00 H new ATOM 0 HG3 GLU A 27 20.576 1.624 4.839 1.00 0.00 H new ATOM 356 N ASP A 28 18.292 6.588 3.467 1.00 0.00 N ATOM 357 CA ASP A 28 17.165 7.252 2.823 1.00 0.00 C ATOM 358 C ASP A 28 17.419 7.426 1.329 1.00 0.00 C ATOM 359 O ASP A 28 16.482 7.475 0.531 1.00 0.00 O ATOM 360 CB ASP A 28 16.909 8.613 3.472 1.00 0.00 C ATOM 361 CG ASP A 28 18.059 9.579 3.264 1.00 0.00 C ATOM 362 OD1 ASP A 28 19.221 9.172 3.474 1.00 0.00 O ATOM 363 OD2 ASP A 28 17.797 10.741 2.889 1.00 0.00 O ATOM 0 H ASP A 28 18.637 7.059 4.304 1.00 0.00 H new ATOM 0 HA ASP A 28 16.283 6.625 2.953 1.00 0.00 H new ATOM 0 HB2 ASP A 28 15.997 9.044 3.058 1.00 0.00 H new ATOM 0 HB3 ASP A 28 16.741 8.477 4.540 1.00 0.00 H new ATOM 368 N ASP A 29 18.690 7.521 0.957 1.00 0.00 N ATOM 369 CA ASP A 29 19.068 7.690 -0.442 1.00 0.00 C ATOM 370 C ASP A 29 18.400 6.633 -1.316 1.00 0.00 C ATOM 371 O ASP A 29 18.141 6.862 -2.498 1.00 0.00 O ATOM 372 CB ASP A 29 20.587 7.611 -0.595 1.00 0.00 C ATOM 373 CG ASP A 29 21.244 8.977 -0.561 1.00 0.00 C ATOM 374 OD1 ASP A 29 21.060 9.700 0.441 1.00 0.00 O ATOM 375 OD2 ASP A 29 21.942 9.324 -1.537 1.00 0.00 O ATOM 0 H ASP A 29 19.477 7.484 1.605 1.00 0.00 H new ATOM 0 HA ASP A 29 18.729 8.673 -0.769 1.00 0.00 H new ATOM 0 HB2 ASP A 29 20.998 6.993 0.204 1.00 0.00 H new ATOM 0 HB3 ASP A 29 20.829 7.118 -1.536 1.00 0.00 H new ATOM 380 N LYS A 30 18.125 5.474 -0.728 1.00 0.00 N ATOM 381 CA LYS A 30 17.488 4.380 -1.452 1.00 0.00 C ATOM 382 C LYS A 30 16.207 3.937 -0.752 1.00 0.00 C ATOM 383 O LYS A 30 15.839 2.763 -0.794 1.00 0.00 O ATOM 384 CB LYS A 30 18.449 3.196 -1.577 1.00 0.00 C ATOM 385 CG LYS A 30 19.519 3.391 -2.637 1.00 0.00 C ATOM 386 CD LYS A 30 20.480 2.214 -2.683 1.00 0.00 C ATOM 387 CE LYS A 30 20.750 1.770 -4.112 1.00 0.00 C ATOM 388 NZ LYS A 30 21.155 2.910 -4.980 1.00 0.00 N ATOM 0 H LYS A 30 18.333 5.268 0.249 1.00 0.00 H new ATOM 0 HA LYS A 30 17.231 4.738 -2.449 1.00 0.00 H new ATOM 0 HB2 LYS A 30 18.930 3.026 -0.614 1.00 0.00 H new ATOM 0 HB3 LYS A 30 17.877 2.298 -1.811 1.00 0.00 H new ATOM 0 HG2 LYS A 30 19.048 3.516 -3.612 1.00 0.00 H new ATOM 0 HG3 LYS A 30 20.073 4.307 -2.431 1.00 0.00 H new ATOM 0 HD2 LYS A 30 21.419 2.491 -2.203 1.00 0.00 H new ATOM 0 HD3 LYS A 30 20.065 1.382 -2.115 1.00 0.00 H new ATOM 0 HE2 LYS A 30 21.535 1.014 -4.115 1.00 0.00 H new ATOM 0 HE3 LYS A 30 19.855 1.301 -4.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 21.734 2.557 -5.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 20.306 3.379 -5.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 21.708 3.591 -4.422 1.00 0.00 H new ATOM 402 N LEU A 31 15.532 4.884 -0.109 1.00 0.00 N ATOM 403 CA LEU A 31 14.291 4.592 0.599 1.00 0.00 C ATOM 404 C LEU A 31 13.094 4.674 -0.342 1.00 0.00 C ATOM 405 O LEU A 31 13.018 5.564 -1.190 1.00 0.00 O ATOM 406 CB LEU A 31 14.105 5.564 1.765 1.00 0.00 C ATOM 407 CG LEU A 31 14.303 4.980 3.165 1.00 0.00 C ATOM 408 CD1 LEU A 31 14.077 6.047 4.225 1.00 0.00 C ATOM 409 CD2 LEU A 31 13.369 3.799 3.386 1.00 0.00 C ATOM 0 H LEU A 31 15.824 5.860 -0.064 1.00 0.00 H new ATOM 0 HA LEU A 31 14.355 3.576 0.988 1.00 0.00 H new ATOM 0 HB2 LEU A 31 14.803 6.392 1.637 1.00 0.00 H new ATOM 0 HB3 LEU A 31 13.100 5.982 1.706 1.00 0.00 H new ATOM 0 HG LEU A 31 15.330 4.626 3.249 1.00 0.00 H new ATOM 0 HD11 LEU A 31 14.222 5.613 5.214 1.00 0.00 H new ATOM 0 HD12 LEU A 31 14.786 6.862 4.078 1.00 0.00 H new ATOM 0 HD13 LEU A 31 13.060 6.432 4.143 1.00 0.00 H new ATOM 0 HD21 LEU A 31 13.523 3.396 4.387 1.00 0.00 H new ATOM 0 HD22 LEU A 31 12.335 4.128 3.283 1.00 0.00 H new ATOM 0 HD23 LEU A 31 13.579 3.026 2.647 1.00 0.00 H new ATOM 421 N LEU A 32 12.160 3.743 -0.187 1.00 0.00 N ATOM 422 CA LEU A 32 10.964 3.711 -1.022 1.00 0.00 C ATOM 423 C LEU A 32 9.769 4.304 -0.283 1.00 0.00 C ATOM 424 O LEU A 32 9.732 4.321 0.947 1.00 0.00 O ATOM 425 CB LEU A 32 10.654 2.275 -1.448 1.00 0.00 C ATOM 426 CG LEU A 32 11.529 1.702 -2.563 1.00 0.00 C ATOM 427 CD1 LEU A 32 12.934 1.425 -2.050 1.00 0.00 C ATOM 428 CD2 LEU A 32 10.907 0.435 -3.131 1.00 0.00 C ATOM 0 H LEU A 32 12.207 2.999 0.510 1.00 0.00 H new ATOM 0 HA LEU A 32 11.154 4.314 -1.910 1.00 0.00 H new ATOM 0 HB2 LEU A 32 10.746 1.630 -0.574 1.00 0.00 H new ATOM 0 HB3 LEU A 32 9.614 2.229 -1.770 1.00 0.00 H new ATOM 0 HG LEU A 32 11.595 2.440 -3.362 1.00 0.00 H new ATOM 0 HD11 LEU A 32 13.542 1.018 -2.857 1.00 0.00 H new ATOM 0 HD12 LEU A 32 13.380 2.353 -1.692 1.00 0.00 H new ATOM 0 HD13 LEU A 32 12.888 0.706 -1.232 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.543 0.041 -3.923 1.00 0.00 H new ATOM 0 HD22 LEU A 32 10.810 -0.309 -2.340 1.00 0.00 H new ATOM 0 HD23 LEU A 32 9.922 0.664 -3.537 1.00 0.00 H new ATOM 440 N PHE A 33 8.791 4.787 -1.043 1.00 0.00 N ATOM 441 CA PHE A 33 7.593 5.380 -0.461 1.00 0.00 C ATOM 442 C PHE A 33 6.347 4.600 -0.869 1.00 0.00 C ATOM 443 O PHE A 33 6.127 4.332 -2.050 1.00 0.00 O ATOM 444 CB PHE A 33 7.458 6.841 -0.895 1.00 0.00 C ATOM 445 CG PHE A 33 8.734 7.623 -0.772 1.00 0.00 C ATOM 446 CD1 PHE A 33 9.471 7.591 0.401 1.00 0.00 C ATOM 447 CD2 PHE A 33 9.197 8.390 -1.828 1.00 0.00 C ATOM 448 CE1 PHE A 33 10.645 8.311 0.518 1.00 0.00 C ATOM 449 CE2 PHE A 33 10.371 9.112 -1.718 1.00 0.00 C ATOM 450 CZ PHE A 33 11.097 9.071 -0.544 1.00 0.00 C ATOM 0 H PHE A 33 8.805 4.779 -2.063 1.00 0.00 H new ATOM 0 HA PHE A 33 7.688 5.338 0.624 1.00 0.00 H new ATOM 0 HB2 PHE A 33 7.119 6.874 -1.930 1.00 0.00 H new ATOM 0 HB3 PHE A 33 6.687 7.321 -0.292 1.00 0.00 H new ATOM 0 HD1 PHE A 33 9.124 6.997 1.233 1.00 0.00 H new ATOM 0 HD2 PHE A 33 8.634 8.425 -2.749 1.00 0.00 H new ATOM 0 HE1 PHE A 33 11.209 8.280 1.439 1.00 0.00 H new ATOM 0 HE2 PHE A 33 10.720 9.707 -2.549 1.00 0.00 H new ATOM 0 HZ PHE A 33 12.016 9.632 -0.456 1.00 0.00 H new ATOM 460 N CYS A 34 5.534 4.237 0.118 1.00 0.00 N ATOM 461 CA CYS A 34 4.310 3.486 -0.135 1.00 0.00 C ATOM 462 C CYS A 34 3.171 4.420 -0.532 1.00 0.00 C ATOM 463 O CYS A 34 3.010 5.498 0.041 1.00 0.00 O ATOM 464 CB CYS A 34 3.916 2.680 1.104 1.00 0.00 C ATOM 465 SG CYS A 34 2.282 1.883 0.983 1.00 0.00 S ATOM 0 H CYS A 34 5.701 4.451 1.101 1.00 0.00 H new ATOM 0 HA CYS A 34 4.498 2.800 -0.961 1.00 0.00 H new ATOM 0 HB2 CYS A 34 4.670 1.913 1.281 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.923 3.340 1.971 1.00 0.00 H new ATOM 470 N ASP A 35 2.383 3.999 -1.515 1.00 0.00 N ATOM 471 CA ASP A 35 1.258 4.797 -1.988 1.00 0.00 C ATOM 472 C ASP A 35 -0.018 4.438 -1.233 1.00 0.00 C ATOM 473 O ASP A 35 -1.077 4.259 -1.833 1.00 0.00 O ATOM 474 CB ASP A 35 1.053 4.589 -3.489 1.00 0.00 C ATOM 475 CG ASP A 35 0.018 5.534 -4.069 1.00 0.00 C ATOM 476 OD1 ASP A 35 0.230 6.763 -3.997 1.00 0.00 O ATOM 477 OD2 ASP A 35 -1.003 5.045 -4.594 1.00 0.00 O ATOM 0 H ASP A 35 2.503 3.110 -2.000 1.00 0.00 H new ATOM 0 HA ASP A 35 1.485 5.847 -1.803 1.00 0.00 H new ATOM 0 HB2 ASP A 35 2.002 4.733 -4.006 1.00 0.00 H new ATOM 0 HB3 ASP A 35 0.744 3.560 -3.671 1.00 0.00 H new ATOM 482 N GLY A 36 0.091 4.333 0.088 1.00 0.00 N ATOM 483 CA GLY A 36 -1.061 3.994 0.903 1.00 0.00 C ATOM 484 C GLY A 36 -0.893 4.419 2.348 1.00 0.00 C ATOM 485 O GLY A 36 -1.843 4.881 2.982 1.00 0.00 O ATOM 0 H GLY A 36 0.957 4.477 0.608 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.949 4.471 0.488 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.228 2.918 0.861 1.00 0.00 H new ATOM 489 N CYS A 37 0.317 4.260 2.873 1.00 0.00 N ATOM 490 CA CYS A 37 0.606 4.628 4.254 1.00 0.00 C ATOM 491 C CYS A 37 1.788 5.591 4.324 1.00 0.00 C ATOM 492 O CYS A 37 2.160 6.056 5.402 1.00 0.00 O ATOM 493 CB CYS A 37 0.903 3.378 5.085 1.00 0.00 C ATOM 494 SG CYS A 37 2.408 2.486 4.576 1.00 0.00 S ATOM 0 H CYS A 37 1.114 3.879 2.363 1.00 0.00 H new ATOM 0 HA CYS A 37 -0.272 5.128 4.662 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.001 3.666 6.132 1.00 0.00 H new ATOM 0 HB3 CYS A 37 0.052 2.700 5.019 1.00 0.00 H new ATOM 499 N ASP A 38 2.373 5.886 3.169 1.00 0.00 N ATOM 500 CA ASP A 38 3.511 6.795 3.098 1.00 0.00 C ATOM 501 C ASP A 38 4.600 6.380 4.083 1.00 0.00 C ATOM 502 O ASP A 38 5.004 7.162 4.943 1.00 0.00 O ATOM 503 CB ASP A 38 3.065 8.229 3.387 1.00 0.00 C ATOM 504 CG ASP A 38 4.135 9.248 3.047 1.00 0.00 C ATOM 505 OD1 ASP A 38 4.514 9.337 1.860 1.00 0.00 O ATOM 506 OD2 ASP A 38 4.592 9.956 3.967 1.00 0.00 O ATOM 0 H ASP A 38 2.078 5.509 2.268 1.00 0.00 H new ATOM 0 HA ASP A 38 3.920 6.747 2.089 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.164 8.448 2.815 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.803 8.319 4.441 1.00 0.00 H new ATOM 511 N ASP A 39 5.070 5.144 3.951 1.00 0.00 N ATOM 512 CA ASP A 39 6.111 4.625 4.829 1.00 0.00 C ATOM 513 C ASP A 39 7.465 4.627 4.126 1.00 0.00 C ATOM 514 O ASP A 39 7.576 5.036 2.971 1.00 0.00 O ATOM 515 CB ASP A 39 5.763 3.208 5.287 1.00 0.00 C ATOM 516 CG ASP A 39 4.942 3.196 6.562 1.00 0.00 C ATOM 517 OD1 ASP A 39 4.278 4.214 6.848 1.00 0.00 O ATOM 518 OD2 ASP A 39 4.966 2.171 7.274 1.00 0.00 O ATOM 0 H ASP A 39 4.746 4.484 3.244 1.00 0.00 H new ATOM 0 HA ASP A 39 6.173 5.275 5.702 1.00 0.00 H new ATOM 0 HB2 ASP A 39 5.210 2.700 4.497 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.683 2.644 5.445 1.00 0.00 H new ATOM 523 N ASN A 40 8.494 4.167 4.832 1.00 0.00 N ATOM 524 CA ASN A 40 9.841 4.117 4.276 1.00 0.00 C ATOM 525 C ASN A 40 10.402 2.700 4.335 1.00 0.00 C ATOM 526 O ASN A 40 10.495 2.102 5.408 1.00 0.00 O ATOM 527 CB ASN A 40 10.763 5.075 5.034 1.00 0.00 C ATOM 528 CG ASN A 40 10.039 6.318 5.512 1.00 0.00 C ATOM 529 OD1 ASN A 40 10.033 6.628 6.704 1.00 0.00 O ATOM 530 ND2 ASN A 40 9.423 7.038 4.582 1.00 0.00 N ATOM 0 H ASN A 40 8.420 3.824 5.790 1.00 0.00 H new ATOM 0 HA ASN A 40 9.788 4.424 3.231 1.00 0.00 H new ATOM 0 HB2 ASN A 40 11.195 4.557 5.891 1.00 0.00 H new ATOM 0 HB3 ASN A 40 11.591 5.366 4.387 1.00 0.00 H new ATOM 0 HD21 ASN A 40 8.919 7.885 4.844 1.00 0.00 H new ATOM 0 HD22 ASN A 40 9.454 6.744 3.606 1.00 0.00 H new ATOM 537 N TYR A 41 10.774 2.168 3.176 1.00 0.00 N ATOM 538 CA TYR A 41 11.324 0.820 3.095 1.00 0.00 C ATOM 539 C TYR A 41 12.489 0.766 2.112 1.00 0.00 C ATOM 540 O TYR A 41 12.399 1.276 0.995 1.00 0.00 O ATOM 541 CB TYR A 41 10.239 -0.171 2.672 1.00 0.00 C ATOM 542 CG TYR A 41 9.208 -0.435 3.746 1.00 0.00 C ATOM 543 CD1 TYR A 41 9.396 -1.441 4.686 1.00 0.00 C ATOM 544 CD2 TYR A 41 8.045 0.322 3.821 1.00 0.00 C ATOM 545 CE1 TYR A 41 8.457 -1.686 5.669 1.00 0.00 C ATOM 546 CE2 TYR A 41 7.101 0.085 4.802 1.00 0.00 C ATOM 547 CZ TYR A 41 7.311 -0.920 5.723 1.00 0.00 C ATOM 548 OH TYR A 41 6.372 -1.160 6.700 1.00 0.00 O ATOM 0 H TYR A 41 10.705 2.650 2.280 1.00 0.00 H new ATOM 0 HA TYR A 41 11.693 0.545 4.083 1.00 0.00 H new ATOM 0 HB2 TYR A 41 9.736 0.211 1.784 1.00 0.00 H new ATOM 0 HB3 TYR A 41 10.709 -1.114 2.392 1.00 0.00 H new ATOM 0 HD1 TYR A 41 10.292 -2.042 4.647 1.00 0.00 H new ATOM 0 HD2 TYR A 41 7.876 1.109 3.101 1.00 0.00 H new ATOM 0 HE1 TYR A 41 8.619 -2.473 6.391 1.00 0.00 H new ATOM 0 HE2 TYR A 41 6.203 0.684 4.847 1.00 0.00 H new ATOM 0 HH TYR A 41 5.626 -0.532 6.598 1.00 0.00 H new ATOM 558 N HIS A 42 13.584 0.142 2.536 1.00 0.00 N ATOM 559 CA HIS A 42 14.768 0.019 1.694 1.00 0.00 C ATOM 560 C HIS A 42 14.584 -1.083 0.655 1.00 0.00 C ATOM 561 O HIS A 42 13.541 -1.737 0.608 1.00 0.00 O ATOM 562 CB HIS A 42 16.001 -0.273 2.550 1.00 0.00 C ATOM 563 CG HIS A 42 16.351 0.836 3.494 1.00 0.00 C ATOM 564 ND1 HIS A 42 16.990 0.626 4.697 1.00 0.00 N ATOM 565 CD2 HIS A 42 16.149 2.171 3.404 1.00 0.00 C ATOM 566 CE1 HIS A 42 17.164 1.785 5.308 1.00 0.00 C ATOM 567 NE2 HIS A 42 16.663 2.738 4.544 1.00 0.00 N ATOM 0 H HIS A 42 13.675 -0.286 3.457 1.00 0.00 H new ATOM 0 HA HIS A 42 14.912 0.965 1.173 1.00 0.00 H new ATOM 0 HB2 HIS A 42 15.829 -1.185 3.122 1.00 0.00 H new ATOM 0 HB3 HIS A 42 16.851 -0.463 1.895 1.00 0.00 H new ATOM 0 HD2 HIS A 42 15.672 2.693 2.588 1.00 0.00 H new ATOM 0 HE1 HIS A 42 17.636 1.928 6.269 1.00 0.00 H new ATOM 0 HE2 HIS A 42 16.658 3.734 4.765 1.00 0.00 H new ATOM 575 N ILE A 43 15.601 -1.283 -0.176 1.00 0.00 N ATOM 576 CA ILE A 43 15.550 -2.306 -1.214 1.00 0.00 C ATOM 577 C ILE A 43 16.183 -3.608 -0.734 1.00 0.00 C ATOM 578 O ILE A 43 15.970 -4.668 -1.322 1.00 0.00 O ATOM 579 CB ILE A 43 16.266 -1.843 -2.496 1.00 0.00 C ATOM 580 CG1 ILE A 43 17.739 -1.549 -2.207 1.00 0.00 C ATOM 581 CG2 ILE A 43 15.578 -0.613 -3.071 1.00 0.00 C ATOM 582 CD1 ILE A 43 18.579 -1.386 -3.454 1.00 0.00 C ATOM 0 H ILE A 43 16.471 -0.750 -0.151 1.00 0.00 H new ATOM 0 HA ILE A 43 14.497 -2.477 -1.437 1.00 0.00 H new ATOM 0 HB ILE A 43 16.213 -2.644 -3.233 1.00 0.00 H new ATOM 0 HG12 ILE A 43 17.809 -0.640 -1.610 1.00 0.00 H new ATOM 0 HG13 ILE A 43 18.151 -2.358 -1.604 1.00 0.00 H new ATOM 0 HG21 ILE A 43 16.095 -0.297 -3.977 1.00 0.00 H new ATOM 0 HG22 ILE A 43 14.542 -0.854 -3.310 1.00 0.00 H new ATOM 0 HG23 ILE A 43 15.603 0.194 -2.339 1.00 0.00 H new ATOM 0 HD11 ILE A 43 19.612 -1.180 -3.173 1.00 0.00 H new ATOM 0 HD12 ILE A 43 18.539 -2.303 -4.042 1.00 0.00 H new ATOM 0 HD13 ILE A 43 18.192 -0.558 -4.048 1.00 0.00 H new ATOM 594 N PHE A 44 16.961 -3.520 0.340 1.00 0.00 N ATOM 595 CA PHE A 44 17.625 -4.692 0.901 1.00 0.00 C ATOM 596 C PHE A 44 17.014 -5.071 2.247 1.00 0.00 C ATOM 597 O PHE A 44 17.584 -5.860 3.000 1.00 0.00 O ATOM 598 CB PHE A 44 19.122 -4.426 1.064 1.00 0.00 C ATOM 599 CG PHE A 44 19.430 -3.108 1.716 1.00 0.00 C ATOM 600 CD1 PHE A 44 19.539 -1.954 0.958 1.00 0.00 C ATOM 601 CD2 PHE A 44 19.609 -3.024 3.088 1.00 0.00 C ATOM 602 CE1 PHE A 44 19.821 -0.739 1.555 1.00 0.00 C ATOM 603 CE2 PHE A 44 19.891 -1.812 3.690 1.00 0.00 C ATOM 604 CZ PHE A 44 19.999 -0.669 2.923 1.00 0.00 C ATOM 0 H PHE A 44 17.147 -2.650 0.839 1.00 0.00 H new ATOM 0 HA PHE A 44 17.484 -5.524 0.211 1.00 0.00 H new ATOM 0 HB2 PHE A 44 19.563 -5.227 1.657 1.00 0.00 H new ATOM 0 HB3 PHE A 44 19.597 -4.457 0.083 1.00 0.00 H new ATOM 0 HD1 PHE A 44 19.402 -2.004 -0.112 1.00 0.00 H new ATOM 0 HD2 PHE A 44 19.527 -3.915 3.693 1.00 0.00 H new ATOM 0 HE1 PHE A 44 19.902 0.154 0.953 1.00 0.00 H new ATOM 0 HE2 PHE A 44 20.027 -1.759 4.760 1.00 0.00 H new ATOM 0 HZ PHE A 44 20.222 0.278 3.392 1.00 0.00 H new ATOM 614 N CYS A 45 15.850 -4.502 2.543 1.00 0.00 N ATOM 615 CA CYS A 45 15.160 -4.778 3.797 1.00 0.00 C ATOM 616 C CYS A 45 13.883 -5.576 3.552 1.00 0.00 C ATOM 617 O CYS A 45 13.398 -6.280 4.438 1.00 0.00 O ATOM 618 CB CYS A 45 14.827 -3.471 4.518 1.00 0.00 C ATOM 619 SG CYS A 45 16.231 -2.740 5.421 1.00 0.00 S ATOM 0 H CYS A 45 15.365 -3.846 1.931 1.00 0.00 H new ATOM 0 HA CYS A 45 15.824 -5.373 4.424 1.00 0.00 H new ATOM 0 HB2 CYS A 45 14.463 -2.748 3.788 1.00 0.00 H new ATOM 0 HB3 CYS A 45 14.013 -3.653 5.220 1.00 0.00 H new ATOM 624 N LEU A 46 13.344 -5.462 2.343 1.00 0.00 N ATOM 625 CA LEU A 46 12.123 -6.174 1.979 1.00 0.00 C ATOM 626 C LEU A 46 12.378 -7.674 1.876 1.00 0.00 C ATOM 627 O LEU A 46 13.437 -8.164 2.269 1.00 0.00 O ATOM 628 CB LEU A 46 11.578 -5.645 0.652 1.00 0.00 C ATOM 629 CG LEU A 46 11.494 -4.124 0.519 1.00 0.00 C ATOM 630 CD1 LEU A 46 11.471 -3.716 -0.946 1.00 0.00 C ATOM 631 CD2 LEU A 46 10.264 -3.592 1.241 1.00 0.00 C ATOM 0 H LEU A 46 13.733 -4.884 1.598 1.00 0.00 H new ATOM 0 HA LEU A 46 11.384 -6.003 2.762 1.00 0.00 H new ATOM 0 HB2 LEU A 46 12.206 -6.026 -0.153 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.581 -6.058 0.501 1.00 0.00 H new ATOM 0 HG LEU A 46 12.380 -3.689 0.982 1.00 0.00 H new ATOM 0 HD11 LEU A 46 11.411 -2.630 -1.020 1.00 0.00 H new ATOM 0 HD12 LEU A 46 12.381 -4.063 -1.435 1.00 0.00 H new ATOM 0 HD13 LEU A 46 10.604 -4.162 -1.434 1.00 0.00 H new ATOM 0 HD21 LEU A 46 10.221 -2.508 1.136 1.00 0.00 H new ATOM 0 HD22 LEU A 46 9.367 -4.035 0.807 1.00 0.00 H new ATOM 0 HD23 LEU A 46 10.322 -3.852 2.298 1.00 0.00 H new ATOM 643 N LEU A 47 11.401 -8.399 1.342 1.00 0.00 N ATOM 644 CA LEU A 47 11.519 -9.844 1.185 1.00 0.00 C ATOM 645 C LEU A 47 10.374 -10.395 0.341 1.00 0.00 C ATOM 646 O LEU A 47 9.234 -10.505 0.793 1.00 0.00 O ATOM 647 CB LEU A 47 11.534 -10.527 2.553 1.00 0.00 C ATOM 648 CG LEU A 47 12.502 -11.701 2.708 1.00 0.00 C ATOM 649 CD1 LEU A 47 12.991 -11.804 4.144 1.00 0.00 C ATOM 650 CD2 LEU A 47 11.838 -13.000 2.274 1.00 0.00 C ATOM 0 H LEU A 47 10.518 -8.010 1.011 1.00 0.00 H new ATOM 0 HA LEU A 47 12.458 -10.053 0.672 1.00 0.00 H new ATOM 0 HB2 LEU A 47 11.778 -9.779 3.307 1.00 0.00 H new ATOM 0 HB3 LEU A 47 10.527 -10.882 2.770 1.00 0.00 H new ATOM 0 HG LEU A 47 13.364 -11.524 2.065 1.00 0.00 H new ATOM 0 HD11 LEU A 47 13.679 -12.645 4.235 1.00 0.00 H new ATOM 0 HD12 LEU A 47 13.505 -10.883 4.420 1.00 0.00 H new ATOM 0 HD13 LEU A 47 12.140 -11.958 4.808 1.00 0.00 H new ATOM 0 HD21 LEU A 47 12.541 -13.825 2.391 1.00 0.00 H new ATOM 0 HD22 LEU A 47 10.958 -13.183 2.891 1.00 0.00 H new ATOM 0 HD23 LEU A 47 11.538 -12.924 1.229 1.00 0.00 H new ATOM 662 N PRO A 48 10.682 -10.753 -0.915 1.00 0.00 N ATOM 663 CA PRO A 48 12.036 -10.626 -1.464 1.00 0.00 C ATOM 664 C PRO A 48 12.442 -9.172 -1.674 1.00 0.00 C ATOM 665 O PRO A 48 11.615 -8.306 -1.963 1.00 0.00 O ATOM 666 CB PRO A 48 11.943 -11.355 -2.807 1.00 0.00 C ATOM 667 CG PRO A 48 10.504 -11.270 -3.185 1.00 0.00 C ATOM 668 CD PRO A 48 9.734 -11.308 -1.895 1.00 0.00 C ATOM 0 HA PRO A 48 12.789 -11.037 -0.792 1.00 0.00 H new ATOM 0 HB2 PRO A 48 12.578 -10.885 -3.558 1.00 0.00 H new ATOM 0 HB3 PRO A 48 12.269 -12.391 -2.718 1.00 0.00 H new ATOM 0 HG2 PRO A 48 10.299 -10.352 -3.735 1.00 0.00 H new ATOM 0 HG3 PRO A 48 10.221 -12.100 -3.833 1.00 0.00 H new ATOM 0 HD2 PRO A 48 8.822 -10.713 -1.954 1.00 0.00 H new ATOM 0 HD3 PRO A 48 9.436 -12.324 -1.635 1.00 0.00 H new ATOM 676 N PRO A 49 13.746 -8.894 -1.527 1.00 0.00 N ATOM 677 CA PRO A 49 14.292 -7.544 -1.697 1.00 0.00 C ATOM 678 C PRO A 49 14.257 -7.083 -3.150 1.00 0.00 C ATOM 679 O PRO A 49 13.993 -7.875 -4.057 1.00 0.00 O ATOM 680 CB PRO A 49 15.738 -7.682 -1.214 1.00 0.00 C ATOM 681 CG PRO A 49 16.068 -9.121 -1.414 1.00 0.00 C ATOM 682 CD PRO A 49 14.788 -9.876 -1.183 1.00 0.00 C ATOM 0 HA PRO A 49 13.715 -6.799 -1.149 1.00 0.00 H new ATOM 0 HB2 PRO A 49 16.409 -7.039 -1.784 1.00 0.00 H new ATOM 0 HB3 PRO A 49 15.835 -7.395 -0.167 1.00 0.00 H new ATOM 0 HG2 PRO A 49 16.449 -9.298 -2.420 1.00 0.00 H new ATOM 0 HG3 PRO A 49 16.842 -9.444 -0.718 1.00 0.00 H new ATOM 0 HD2 PRO A 49 14.726 -10.764 -1.812 1.00 0.00 H new ATOM 0 HD3 PRO A 49 14.700 -10.210 -0.149 1.00 0.00 H new ATOM 690 N LEU A 50 14.526 -5.801 -3.366 1.00 0.00 N ATOM 691 CA LEU A 50 14.527 -5.235 -4.711 1.00 0.00 C ATOM 692 C LEU A 50 15.931 -4.800 -5.118 1.00 0.00 C ATOM 693 O LEU A 50 16.807 -4.584 -4.281 1.00 0.00 O ATOM 694 CB LEU A 50 13.570 -4.043 -4.784 1.00 0.00 C ATOM 695 CG LEU A 50 12.090 -4.380 -4.967 1.00 0.00 C ATOM 696 CD1 LEU A 50 11.238 -3.127 -4.844 1.00 0.00 C ATOM 697 CD2 LEU A 50 11.859 -5.055 -6.311 1.00 0.00 C ATOM 0 H LEU A 50 14.746 -5.133 -2.627 1.00 0.00 H new ATOM 0 HA LEU A 50 14.191 -6.007 -5.404 1.00 0.00 H new ATOM 0 HB2 LEU A 50 13.679 -3.459 -3.870 1.00 0.00 H new ATOM 0 HB3 LEU A 50 13.881 -3.403 -5.610 1.00 0.00 H new ATOM 0 HG LEU A 50 11.795 -5.073 -4.179 1.00 0.00 H new ATOM 0 HD11 LEU A 50 10.188 -3.387 -4.977 1.00 0.00 H new ATOM 0 HD12 LEU A 50 11.380 -2.686 -3.858 1.00 0.00 H new ATOM 0 HD13 LEU A 50 11.534 -2.409 -5.609 1.00 0.00 H new ATOM 0 HD21 LEU A 50 10.800 -5.288 -6.424 1.00 0.00 H new ATOM 0 HD22 LEU A 50 12.171 -4.386 -7.113 1.00 0.00 H new ATOM 0 HD23 LEU A 50 12.440 -5.976 -6.360 1.00 0.00 H new ATOM 709 N PRO A 51 16.151 -4.668 -6.435 1.00 0.00 N ATOM 710 CA PRO A 51 17.446 -4.255 -6.983 1.00 0.00 C ATOM 711 C PRO A 51 17.764 -2.794 -6.683 1.00 0.00 C ATOM 712 O PRO A 51 18.905 -2.448 -6.378 1.00 0.00 O ATOM 713 CB PRO A 51 17.277 -4.468 -8.490 1.00 0.00 C ATOM 714 CG PRO A 51 15.810 -4.362 -8.725 1.00 0.00 C ATOM 715 CD PRO A 51 15.152 -4.910 -7.489 1.00 0.00 C ATOM 0 HA PRO A 51 18.271 -4.819 -6.549 1.00 0.00 H new ATOM 0 HB2 PRO A 51 17.825 -3.717 -9.060 1.00 0.00 H new ATOM 0 HB3 PRO A 51 17.658 -5.442 -8.797 1.00 0.00 H new ATOM 0 HG2 PRO A 51 15.516 -3.327 -8.897 1.00 0.00 H new ATOM 0 HG3 PRO A 51 15.514 -4.928 -9.608 1.00 0.00 H new ATOM 0 HD2 PRO A 51 14.212 -4.402 -7.276 1.00 0.00 H new ATOM 0 HD3 PRO A 51 14.925 -5.971 -7.591 1.00 0.00 H new ATOM 723 N GLU A 52 16.747 -1.942 -6.772 1.00 0.00 N ATOM 724 CA GLU A 52 16.921 -0.518 -6.510 1.00 0.00 C ATOM 725 C GLU A 52 15.576 0.204 -6.517 1.00 0.00 C ATOM 726 O GLU A 52 14.529 -0.415 -6.709 1.00 0.00 O ATOM 727 CB GLU A 52 17.852 0.105 -7.553 1.00 0.00 C ATOM 728 CG GLU A 52 17.288 0.083 -8.963 1.00 0.00 C ATOM 729 CD GLU A 52 18.062 0.974 -9.915 1.00 0.00 C ATOM 730 OE1 GLU A 52 17.753 2.182 -9.983 1.00 0.00 O ATOM 731 OE2 GLU A 52 18.979 0.463 -10.592 1.00 0.00 O ATOM 0 H GLU A 52 15.796 -2.213 -7.023 1.00 0.00 H new ATOM 0 HA GLU A 52 17.368 -0.408 -5.522 1.00 0.00 H new ATOM 0 HB2 GLU A 52 18.061 1.137 -7.271 1.00 0.00 H new ATOM 0 HB3 GLU A 52 18.803 -0.427 -7.543 1.00 0.00 H new ATOM 0 HG2 GLU A 52 17.299 -0.940 -9.339 1.00 0.00 H new ATOM 0 HG3 GLU A 52 16.246 0.402 -8.939 1.00 0.00 H new ATOM 738 N ILE A 53 15.614 1.515 -6.306 1.00 0.00 N ATOM 739 CA ILE A 53 14.400 2.321 -6.288 1.00 0.00 C ATOM 740 C ILE A 53 13.557 2.073 -7.535 1.00 0.00 C ATOM 741 O ILE A 53 14.051 2.094 -8.662 1.00 0.00 O ATOM 742 CB ILE A 53 14.723 3.824 -6.191 1.00 0.00 C ATOM 743 CG1 ILE A 53 15.157 4.183 -4.768 1.00 0.00 C ATOM 744 CG2 ILE A 53 13.517 4.653 -6.608 1.00 0.00 C ATOM 745 CD1 ILE A 53 14.038 4.097 -3.755 1.00 0.00 C ATOM 0 H ILE A 53 16.473 2.042 -6.145 1.00 0.00 H new ATOM 0 HA ILE A 53 13.836 2.021 -5.405 1.00 0.00 H new ATOM 0 HB ILE A 53 15.546 4.049 -6.870 1.00 0.00 H new ATOM 0 HG12 ILE A 53 15.964 3.516 -4.464 1.00 0.00 H new ATOM 0 HG13 ILE A 53 15.562 5.195 -4.765 1.00 0.00 H new ATOM 0 HG21 ILE A 53 13.761 5.713 -6.534 1.00 0.00 H new ATOM 0 HG22 ILE A 53 13.249 4.413 -7.637 1.00 0.00 H new ATOM 0 HG23 ILE A 53 12.676 4.428 -5.952 1.00 0.00 H new ATOM 0 HD11 ILE A 53 14.418 4.365 -2.769 1.00 0.00 H new ATOM 0 HD12 ILE A 53 13.240 4.785 -4.035 1.00 0.00 H new ATOM 0 HD13 ILE A 53 13.648 3.080 -3.729 1.00 0.00 H new ATOM 757 N PRO A 54 12.253 1.834 -7.330 1.00 0.00 N ATOM 758 CA PRO A 54 11.313 1.581 -8.426 1.00 0.00 C ATOM 759 C PRO A 54 11.054 2.826 -9.267 1.00 0.00 C ATOM 760 O PRO A 54 11.487 3.924 -8.918 1.00 0.00 O ATOM 761 CB PRO A 54 10.035 1.147 -7.704 1.00 0.00 C ATOM 762 CG PRO A 54 10.132 1.772 -6.355 1.00 0.00 C ATOM 763 CD PRO A 54 11.596 1.794 -6.013 1.00 0.00 C ATOM 0 HA PRO A 54 11.695 0.839 -9.128 1.00 0.00 H new ATOM 0 HB2 PRO A 54 9.146 1.487 -8.235 1.00 0.00 H new ATOM 0 HB3 PRO A 54 9.969 0.061 -7.634 1.00 0.00 H new ATOM 0 HG2 PRO A 54 9.718 2.780 -6.361 1.00 0.00 H new ATOM 0 HG3 PRO A 54 9.568 1.200 -5.618 1.00 0.00 H new ATOM 0 HD2 PRO A 54 11.854 2.663 -5.408 1.00 0.00 H new ATOM 0 HD3 PRO A 54 11.889 0.912 -5.444 1.00 0.00 H new ATOM 771 N ARG A 55 10.343 2.647 -10.376 1.00 0.00 N ATOM 772 CA ARG A 55 10.026 3.757 -11.267 1.00 0.00 C ATOM 773 C ARG A 55 8.645 4.326 -10.957 1.00 0.00 C ATOM 774 O ARG A 55 8.521 5.401 -10.373 1.00 0.00 O ATOM 775 CB ARG A 55 10.087 3.301 -12.726 1.00 0.00 C ATOM 776 CG ARG A 55 11.502 3.124 -13.251 1.00 0.00 C ATOM 777 CD ARG A 55 11.875 4.227 -14.229 1.00 0.00 C ATOM 778 NE ARG A 55 11.191 4.076 -15.511 1.00 0.00 N ATOM 779 CZ ARG A 55 11.594 4.663 -16.632 1.00 0.00 C ATOM 780 NH1 ARG A 55 12.670 5.437 -16.630 1.00 0.00 N ATOM 781 NH2 ARG A 55 10.919 4.477 -17.759 1.00 0.00 N ATOM 0 H ARG A 55 9.976 1.745 -10.679 1.00 0.00 H new ATOM 0 HA ARG A 55 10.766 4.541 -11.108 1.00 0.00 H new ATOM 0 HB2 ARG A 55 9.551 2.357 -12.825 1.00 0.00 H new ATOM 0 HB3 ARG A 55 9.567 4.030 -13.347 1.00 0.00 H new ATOM 0 HG2 ARG A 55 12.203 3.123 -12.417 1.00 0.00 H new ATOM 0 HG3 ARG A 55 11.590 2.155 -13.742 1.00 0.00 H new ATOM 0 HD2 ARG A 55 11.624 5.195 -13.796 1.00 0.00 H new ATOM 0 HD3 ARG A 55 12.953 4.219 -14.390 1.00 0.00 H new ATOM 0 HE ARG A 55 10.359 3.488 -15.547 1.00 0.00 H new ATOM 0 HH11 ARG A 55 13.191 5.583 -15.766 1.00 0.00 H new ATOM 0 HH12 ARG A 55 12.977 5.886 -17.493 1.00 0.00 H new ATOM 0 HH21 ARG A 55 10.090 3.883 -17.765 1.00 0.00 H new ATOM 0 HH22 ARG A 55 11.229 4.928 -18.620 1.00 0.00 H new ATOM 795 N GLY A 56 7.607 3.595 -11.354 1.00 0.00 N ATOM 796 CA GLY A 56 6.248 4.042 -11.111 1.00 0.00 C ATOM 797 C GLY A 56 5.897 4.055 -9.636 1.00 0.00 C ATOM 798 O GLY A 56 6.743 4.352 -8.793 1.00 0.00 O ATOM 0 H GLY A 56 7.684 2.701 -11.840 1.00 0.00 H new ATOM 0 HA2 GLY A 56 6.120 5.044 -11.521 1.00 0.00 H new ATOM 0 HA3 GLY A 56 5.554 3.390 -11.641 1.00 0.00 H new ATOM 802 N ILE A 57 4.646 3.734 -9.325 1.00 0.00 N ATOM 803 CA ILE A 57 4.185 3.710 -7.943 1.00 0.00 C ATOM 804 C ILE A 57 4.569 2.403 -7.258 1.00 0.00 C ATOM 805 O ILE A 57 4.338 1.319 -7.793 1.00 0.00 O ATOM 806 CB ILE A 57 2.658 3.894 -7.855 1.00 0.00 C ATOM 807 CG1 ILE A 57 2.249 5.238 -8.458 1.00 0.00 C ATOM 808 CG2 ILE A 57 2.195 3.793 -6.409 1.00 0.00 C ATOM 809 CD1 ILE A 57 0.752 5.414 -8.582 1.00 0.00 C ATOM 0 H ILE A 57 3.933 3.487 -10.012 1.00 0.00 H new ATOM 0 HA ILE A 57 4.672 4.541 -7.433 1.00 0.00 H new ATOM 0 HB ILE A 57 2.178 3.100 -8.426 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.651 6.041 -7.841 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.701 5.337 -9.445 1.00 0.00 H new ATOM 0 HG21 ILE A 57 1.114 3.925 -6.363 1.00 0.00 H new ATOM 0 HG22 ILE A 57 2.458 2.813 -6.010 1.00 0.00 H new ATOM 0 HG23 ILE A 57 2.681 4.568 -5.816 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.535 6.390 -9.017 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.346 4.632 -9.224 1.00 0.00 H new ATOM 0 HD13 ILE A 57 0.295 5.347 -7.595 1.00 0.00 H new ATOM 821 N TRP A 58 5.153 2.513 -6.070 1.00 0.00 N ATOM 822 CA TRP A 58 5.568 1.339 -5.310 1.00 0.00 C ATOM 823 C TRP A 58 4.815 1.253 -3.987 1.00 0.00 C ATOM 824 O TRP A 58 4.594 2.265 -3.322 1.00 0.00 O ATOM 825 CB TRP A 58 7.075 1.379 -5.052 1.00 0.00 C ATOM 826 CG TRP A 58 7.563 0.242 -4.207 1.00 0.00 C ATOM 827 CD1 TRP A 58 8.071 -0.947 -4.648 1.00 0.00 C ATOM 828 CD2 TRP A 58 7.587 0.185 -2.777 1.00 0.00 C ATOM 829 NE1 TRP A 58 8.410 -1.739 -3.577 1.00 0.00 N ATOM 830 CE2 TRP A 58 8.123 -1.067 -2.418 1.00 0.00 C ATOM 831 CE3 TRP A 58 7.210 1.071 -1.764 1.00 0.00 C ATOM 832 CZ2 TRP A 58 8.289 -1.452 -1.091 1.00 0.00 C ATOM 833 CZ3 TRP A 58 7.375 0.687 -0.447 1.00 0.00 C ATOM 834 CH2 TRP A 58 7.911 -0.565 -0.120 1.00 0.00 C ATOM 0 H TRP A 58 5.350 3.403 -5.612 1.00 0.00 H new ATOM 0 HA TRP A 58 5.331 0.453 -5.899 1.00 0.00 H new ATOM 0 HB2 TRP A 58 7.600 1.364 -6.007 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.328 2.320 -4.564 1.00 0.00 H new ATOM 0 HD1 TRP A 58 8.189 -1.224 -5.685 1.00 0.00 H new ATOM 0 HE1 TRP A 58 8.810 -2.675 -3.636 1.00 0.00 H new ATOM 0 HE3 TRP A 58 6.797 2.039 -2.006 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 8.702 -2.417 -0.836 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 7.086 1.364 0.344 1.00 0.00 H new ATOM 0 HH2 TRP A 58 8.028 -0.836 0.919 1.00 0.00 H new ATOM 845 N ARG A 59 4.424 0.040 -3.612 1.00 0.00 N ATOM 846 CA ARG A 59 3.694 -0.176 -2.368 1.00 0.00 C ATOM 847 C ARG A 59 4.485 -1.076 -1.423 1.00 0.00 C ATOM 848 O ARG A 59 5.386 -1.801 -1.848 1.00 0.00 O ATOM 849 CB ARG A 59 2.326 -0.798 -2.655 1.00 0.00 C ATOM 850 CG ARG A 59 1.168 0.171 -2.479 1.00 0.00 C ATOM 851 CD ARG A 59 -0.076 -0.536 -1.964 1.00 0.00 C ATOM 852 NE ARG A 59 -1.179 -0.467 -2.918 1.00 0.00 N ATOM 853 CZ ARG A 59 -2.443 -0.726 -2.600 1.00 0.00 C ATOM 854 NH1 ARG A 59 -2.761 -1.070 -1.360 1.00 0.00 N ATOM 855 NH2 ARG A 59 -3.391 -0.642 -3.524 1.00 0.00 N ATOM 0 H ARG A 59 4.600 -0.808 -4.151 1.00 0.00 H new ATOM 0 HA ARG A 59 3.552 0.792 -1.887 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.317 -1.180 -3.676 1.00 0.00 H new ATOM 0 HB3 ARG A 59 2.178 -1.652 -1.994 1.00 0.00 H new ATOM 0 HG2 ARG A 59 1.454 0.959 -1.783 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.946 0.652 -3.432 1.00 0.00 H new ATOM 0 HD2 ARG A 59 0.160 -1.580 -1.757 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.384 -0.086 -1.020 1.00 0.00 H new ATOM 0 HE ARG A 59 -0.968 -0.206 -3.881 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -2.035 -1.136 -0.647 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -3.732 -1.268 -1.119 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -3.150 -0.378 -4.479 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -4.361 -0.841 -3.279 1.00 0.00 H new ATOM 869 N CYS A 60 4.144 -1.024 -0.140 1.00 0.00 N ATOM 870 CA CYS A 60 4.822 -1.833 0.866 1.00 0.00 C ATOM 871 C CYS A 60 4.058 -3.127 1.128 1.00 0.00 C ATOM 872 O CYS A 60 2.862 -3.238 0.856 1.00 0.00 O ATOM 873 CB CYS A 60 4.973 -1.044 2.168 1.00 0.00 C ATOM 874 SG CYS A 60 3.451 -0.956 3.165 1.00 0.00 S ATOM 0 H CYS A 60 3.401 -0.429 0.228 1.00 0.00 H new ATOM 0 HA CYS A 60 5.812 -2.087 0.486 1.00 0.00 H new ATOM 0 HB2 CYS A 60 5.761 -1.500 2.767 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.298 -0.031 1.931 1.00 0.00 H new ATOM 879 N PRO A 61 4.764 -4.131 1.670 1.00 0.00 N ATOM 880 CA PRO A 61 4.173 -5.436 1.982 1.00 0.00 C ATOM 881 C PRO A 61 3.193 -5.365 3.148 1.00 0.00 C ATOM 882 O PRO A 61 2.297 -6.200 3.272 1.00 0.00 O ATOM 883 CB PRO A 61 5.384 -6.295 2.353 1.00 0.00 C ATOM 884 CG PRO A 61 6.408 -5.321 2.826 1.00 0.00 C ATOM 885 CD PRO A 61 6.192 -4.070 2.020 1.00 0.00 C ATOM 0 HA PRO A 61 3.593 -5.830 1.147 1.00 0.00 H new ATOM 0 HB2 PRO A 61 5.134 -7.016 3.131 1.00 0.00 H new ATOM 0 HB3 PRO A 61 5.744 -6.863 1.495 1.00 0.00 H new ATOM 0 HG2 PRO A 61 6.295 -5.123 3.892 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.415 -5.711 2.679 1.00 0.00 H new ATOM 0 HD2 PRO A 61 6.426 -3.175 2.597 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.823 -4.051 1.131 1.00 0.00 H new ATOM 893 N LYS A 62 3.369 -4.362 4.002 1.00 0.00 N ATOM 894 CA LYS A 62 2.499 -4.179 5.158 1.00 0.00 C ATOM 895 C LYS A 62 1.108 -3.726 4.727 1.00 0.00 C ATOM 896 O LYS A 62 0.143 -3.845 5.483 1.00 0.00 O ATOM 897 CB LYS A 62 3.105 -3.156 6.121 1.00 0.00 C ATOM 898 CG LYS A 62 3.688 -3.775 7.380 1.00 0.00 C ATOM 899 CD LYS A 62 2.715 -3.693 8.544 1.00 0.00 C ATOM 900 CE LYS A 62 3.384 -4.071 9.857 1.00 0.00 C ATOM 901 NZ LYS A 62 3.006 -3.143 10.959 1.00 0.00 N ATOM 0 H LYS A 62 4.107 -3.663 3.915 1.00 0.00 H new ATOM 0 HA LYS A 62 2.407 -5.138 5.667 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.888 -2.602 5.603 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.337 -2.436 6.403 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.942 -4.818 7.190 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.614 -3.264 7.642 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.316 -2.681 8.616 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.870 -4.357 8.361 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.104 -5.089 10.127 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.466 -4.061 9.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.482 -3.434 11.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.296 -2.175 10.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.976 -3.171 11.098 1.00 0.00 H new ATOM 915 N CYS A 63 1.012 -3.207 3.507 1.00 0.00 N ATOM 916 CA CYS A 63 -0.261 -2.737 2.975 1.00 0.00 C ATOM 917 C CYS A 63 -0.840 -3.742 1.983 1.00 0.00 C ATOM 918 O CYS A 63 -2.041 -4.014 1.989 1.00 0.00 O ATOM 919 CB CYS A 63 -0.083 -1.378 2.295 1.00 0.00 C ATOM 920 SG CYS A 63 -0.045 0.031 3.449 1.00 0.00 S ATOM 0 H CYS A 63 1.801 -3.102 2.869 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.957 -2.631 3.807 1.00 0.00 H new ATOM 0 HB2 CYS A 63 0.844 -1.389 1.721 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -0.896 -1.230 1.584 1.00 0.00 H new ATOM 925 N ILE A 64 0.022 -4.290 1.133 1.00 0.00 N ATOM 926 CA ILE A 64 -0.403 -5.266 0.137 1.00 0.00 C ATOM 927 C ILE A 64 -0.872 -6.557 0.797 1.00 0.00 C ATOM 928 O ILE A 64 -1.910 -7.113 0.433 1.00 0.00 O ATOM 929 CB ILE A 64 0.731 -5.590 -0.853 1.00 0.00 C ATOM 930 CG1 ILE A 64 1.211 -4.315 -1.549 1.00 0.00 C ATOM 931 CG2 ILE A 64 0.264 -6.615 -1.876 1.00 0.00 C ATOM 932 CD1 ILE A 64 2.581 -4.447 -2.175 1.00 0.00 C ATOM 0 H ILE A 64 1.019 -4.075 1.114 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.234 -4.818 -0.409 1.00 0.00 H new ATOM 0 HB ILE A 64 1.567 -6.014 -0.298 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.493 -4.040 -2.321 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.228 -3.500 -0.825 1.00 0.00 H new ATOM 0 HG21 ILE A 64 1.077 -6.834 -2.569 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -0.033 -7.530 -1.364 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.587 -6.216 -2.429 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.856 -3.505 -2.650 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.311 -4.691 -1.404 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.564 -5.240 -2.923 1.00 0.00 H new ATOM 944 N LEU A 65 -0.103 -7.030 1.771 1.00 0.00 N ATOM 945 CA LEU A 65 -0.440 -8.257 2.486 1.00 0.00 C ATOM 946 C LEU A 65 -1.727 -8.085 3.285 1.00 0.00 C ATOM 947 O LEU A 65 -2.346 -9.064 3.702 1.00 0.00 O ATOM 948 CB LEU A 65 0.704 -8.658 3.419 1.00 0.00 C ATOM 949 CG LEU A 65 2.023 -9.034 2.742 1.00 0.00 C ATOM 950 CD1 LEU A 65 3.127 -9.193 3.775 1.00 0.00 C ATOM 951 CD2 LEU A 65 1.860 -10.311 1.931 1.00 0.00 C ATOM 0 H LEU A 65 0.759 -6.583 2.084 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.594 -9.047 1.750 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.893 -7.832 4.105 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.374 -9.504 4.022 1.00 0.00 H new ATOM 0 HG LEU A 65 2.304 -8.229 2.063 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.058 -9.461 3.275 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.261 -8.254 4.312 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.855 -9.979 4.480 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.808 -10.564 1.456 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.556 -11.124 2.590 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.099 -10.161 1.165 1.00 0.00 H new ATOM 963 N ALA A 66 -2.126 -6.835 3.493 1.00 0.00 N ATOM 964 CA ALA A 66 -3.342 -6.535 4.239 1.00 0.00 C ATOM 965 C ALA A 66 -4.546 -6.431 3.308 1.00 0.00 C ATOM 966 O ALA A 66 -5.596 -7.015 3.570 1.00 0.00 O ATOM 967 CB ALA A 66 -3.172 -5.247 5.031 1.00 0.00 C ATOM 0 H ALA A 66 -1.625 -6.013 3.155 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.523 -7.355 4.934 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -4.088 -5.036 5.583 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.344 -5.357 5.731 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.963 -4.424 4.347 1.00 0.00 H new ATOM 973 N GLU A 67 -4.384 -5.683 2.221 1.00 0.00 N ATOM 974 CA GLU A 67 -5.458 -5.502 1.252 1.00 0.00 C ATOM 975 C GLU A 67 -5.694 -6.782 0.455 1.00 0.00 C ATOM 976 O GLU A 67 -6.811 -7.054 0.014 1.00 0.00 O ATOM 977 CB GLU A 67 -5.129 -4.349 0.301 1.00 0.00 C ATOM 978 CG GLU A 67 -3.932 -4.622 -0.594 1.00 0.00 C ATOM 979 CD GLU A 67 -4.333 -4.960 -2.017 1.00 0.00 C ATOM 980 OE1 GLU A 67 -4.777 -6.103 -2.252 1.00 0.00 O ATOM 981 OE2 GLU A 67 -4.202 -4.082 -2.895 1.00 0.00 O ATOM 0 H GLU A 67 -3.520 -5.193 1.990 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.369 -5.263 1.800 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.999 -4.144 -0.323 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.937 -3.450 0.886 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.282 -3.747 -0.602 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -3.353 -5.446 -0.178 1.00 0.00 H new ATOM 988 N CYS A 68 -4.634 -7.562 0.274 1.00 0.00 N ATOM 989 CA CYS A 68 -4.724 -8.813 -0.471 1.00 0.00 C ATOM 990 C CYS A 68 -5.850 -9.688 0.070 1.00 0.00 C ATOM 991 O CYS A 68 -6.765 -10.065 -0.662 1.00 0.00 O ATOM 992 CB CYS A 68 -3.397 -9.569 -0.402 1.00 0.00 C ATOM 993 SG CYS A 68 -2.296 -9.257 -1.802 1.00 0.00 S ATOM 0 H CYS A 68 -3.703 -7.351 0.633 1.00 0.00 H new ATOM 0 HA CYS A 68 -4.943 -8.572 -1.511 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -2.883 -9.295 0.519 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -3.603 -10.638 -0.346 1.00 0.00 H new ATOM 0 HG CYS A 68 -1.199 -9.939 -1.652 1.00 0.00 H new ATOM 999 N LYS A 69 -5.776 -10.010 1.357 1.00 0.00 N ATOM 1000 CA LYS A 69 -6.788 -10.841 1.998 1.00 0.00 C ATOM 1001 C LYS A 69 -7.185 -10.267 3.354 1.00 0.00 C ATOM 1002 O LYS A 69 -6.407 -10.308 4.307 1.00 0.00 O ATOM 1003 CB LYS A 69 -6.269 -12.271 2.170 1.00 0.00 C ATOM 1004 CG LYS A 69 -4.858 -12.343 2.726 1.00 0.00 C ATOM 1005 CD LYS A 69 -3.855 -12.735 1.653 1.00 0.00 C ATOM 1006 CE LYS A 69 -3.515 -14.216 1.723 1.00 0.00 C ATOM 1007 NZ LYS A 69 -2.069 -14.440 2.000 1.00 0.00 N ATOM 0 H LYS A 69 -5.025 -9.708 1.977 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.670 -10.855 1.357 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.941 -12.815 2.834 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -6.297 -12.777 1.205 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -4.582 -11.376 3.147 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -4.823 -13.067 3.540 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.262 -12.500 0.670 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -2.946 -12.146 1.771 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -4.112 -14.689 2.503 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -3.783 -14.695 0.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -1.877 -15.461 2.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -1.500 -14.010 1.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -1.819 -14.005 2.911 1.00 0.00 H new ATOM 1021 N GLN A 70 -8.400 -9.734 3.433 1.00 0.00 N ATOM 1022 CA GLN A 70 -8.899 -9.152 4.674 1.00 0.00 C ATOM 1023 C GLN A 70 -10.257 -9.740 5.042 1.00 0.00 C ATOM 1024 O GLN A 70 -11.010 -10.210 4.189 1.00 0.00 O ATOM 1025 CB GLN A 70 -9.006 -7.632 4.542 1.00 0.00 C ATOM 1026 CG GLN A 70 -9.737 -7.180 3.288 1.00 0.00 C ATOM 1027 CD GLN A 70 -9.734 -5.673 3.121 1.00 0.00 C ATOM 1028 OE1 GLN A 70 -9.632 -4.930 4.098 1.00 0.00 O ATOM 1029 NE2 GLN A 70 -9.845 -5.214 1.880 1.00 0.00 N ATOM 0 H GLN A 70 -9.057 -9.693 2.653 1.00 0.00 H new ATOM 0 HA GLN A 70 -8.192 -9.391 5.469 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -9.522 -7.235 5.416 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -8.003 -7.204 4.542 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -9.272 -7.639 2.416 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -10.767 -7.536 3.324 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -9.927 -5.867 1.100 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -9.848 -4.209 1.706 1.00 0.00 H new ATOM 1038 N PRO A 71 -10.580 -9.714 6.344 1.00 0.00 N ATOM 1039 CA PRO A 71 -11.849 -10.240 6.856 1.00 0.00 C ATOM 1040 C PRO A 71 -13.041 -9.382 6.443 1.00 0.00 C ATOM 1041 O PRO A 71 -12.890 -8.276 5.924 1.00 0.00 O ATOM 1042 CB PRO A 71 -11.663 -10.200 8.374 1.00 0.00 C ATOM 1043 CG PRO A 71 -10.652 -9.131 8.605 1.00 0.00 C ATOM 1044 CD PRO A 71 -9.731 -9.169 7.417 1.00 0.00 C ATOM 0 HA PRO A 71 -12.065 -11.234 6.465 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -12.601 -9.974 8.882 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -11.317 -11.161 8.756 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -11.130 -8.156 8.698 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -10.103 -9.306 9.530 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -9.356 -8.176 7.168 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -8.862 -9.801 7.602 1.00 0.00 H new ATOM 1052 N PRO A 72 -14.255 -9.903 6.677 1.00 0.00 N ATOM 1053 CA PRO A 72 -15.496 -9.200 6.337 1.00 0.00 C ATOM 1054 C PRO A 72 -15.737 -7.986 7.227 1.00 0.00 C ATOM 1055 O PRO A 72 -16.491 -8.056 8.197 1.00 0.00 O ATOM 1056 CB PRO A 72 -16.577 -10.258 6.571 1.00 0.00 C ATOM 1057 CG PRO A 72 -15.986 -11.189 7.573 1.00 0.00 C ATOM 1058 CD PRO A 72 -14.509 -11.216 7.291 1.00 0.00 C ATOM 0 HA PRO A 72 -15.477 -8.807 5.320 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -17.497 -9.808 6.943 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -16.828 -10.779 5.647 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -16.183 -10.846 8.589 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -16.419 -12.185 7.483 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -13.928 -11.352 8.203 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -14.243 -12.032 6.619 1.00 0.00 H new ATOM 1066 N GLU A 73 -15.091 -6.873 6.891 1.00 0.00 N ATOM 1067 CA GLU A 73 -15.236 -5.644 7.661 1.00 0.00 C ATOM 1068 C GLU A 73 -14.504 -4.489 6.985 1.00 0.00 C ATOM 1069 O GLU A 73 -13.991 -3.590 7.651 1.00 0.00 O ATOM 1070 CB GLU A 73 -14.701 -5.840 9.081 1.00 0.00 C ATOM 1071 CG GLU A 73 -15.552 -5.173 10.149 1.00 0.00 C ATOM 1072 CD GLU A 73 -15.428 -5.850 11.500 1.00 0.00 C ATOM 1073 OE1 GLU A 73 -14.496 -5.501 12.255 1.00 0.00 O ATOM 1074 OE2 GLU A 73 -16.263 -6.728 11.803 1.00 0.00 O ATOM 0 H GLU A 73 -14.463 -6.798 6.091 1.00 0.00 H new ATOM 0 HA GLU A 73 -16.297 -5.399 7.711 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -14.638 -6.907 9.293 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -13.687 -5.444 9.136 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -15.258 -4.128 10.242 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -16.596 -5.184 9.836 1.00 0.00 H new ATOM 1081 N ALA A 74 -14.459 -4.521 5.657 1.00 0.00 N ATOM 1082 CA ALA A 74 -13.791 -3.476 4.889 1.00 0.00 C ATOM 1083 C ALA A 74 -14.482 -3.254 3.548 1.00 0.00 C ATOM 1084 O ALA A 74 -13.829 -2.991 2.538 1.00 0.00 O ATOM 1085 CB ALA A 74 -12.327 -3.831 4.679 1.00 0.00 C ATOM 0 H ALA A 74 -14.877 -5.259 5.090 1.00 0.00 H new ATOM 0 HA ALA A 74 -13.850 -2.547 5.456 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -11.840 -3.043 4.105 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -11.835 -3.932 5.646 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -12.255 -4.773 4.136 1.00 0.00 H new ATOM 1091 N PHE A 75 -15.806 -3.362 3.544 1.00 0.00 N ATOM 1092 CA PHE A 75 -16.585 -3.175 2.326 1.00 0.00 C ATOM 1093 C PHE A 75 -17.415 -1.897 2.403 1.00 0.00 C ATOM 1094 O PHE A 75 -18.081 -1.634 3.404 1.00 0.00 O ATOM 1095 CB PHE A 75 -17.501 -4.378 2.091 1.00 0.00 C ATOM 1096 CG PHE A 75 -17.974 -4.503 0.671 1.00 0.00 C ATOM 1097 CD1 PHE A 75 -17.064 -4.635 -0.366 1.00 0.00 C ATOM 1098 CD2 PHE A 75 -19.327 -4.489 0.373 1.00 0.00 C ATOM 1099 CE1 PHE A 75 -17.496 -4.750 -1.674 1.00 0.00 C ATOM 1100 CE2 PHE A 75 -19.765 -4.604 -0.933 1.00 0.00 C ATOM 1101 CZ PHE A 75 -18.848 -4.736 -1.958 1.00 0.00 C ATOM 0 H PHE A 75 -16.362 -3.578 4.371 1.00 0.00 H new ATOM 0 HA PHE A 75 -15.891 -3.087 1.490 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -16.971 -5.288 2.370 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -18.367 -4.299 2.748 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -16.006 -4.648 -0.150 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -20.048 -4.387 1.171 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -16.777 -4.851 -2.474 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -20.823 -4.591 -1.152 1.00 0.00 H new ATOM 0 HZ PHE A 75 -19.187 -4.828 -2.979 1.00 0.00 H new ATOM 1111 N GLY A 76 -17.369 -1.103 1.337 1.00 0.00 N ATOM 1112 CA GLY A 76 -18.120 0.138 1.303 1.00 0.00 C ATOM 1113 C GLY A 76 -17.853 0.943 0.046 1.00 0.00 C ATOM 1114 O GLY A 76 -17.807 0.393 -1.054 1.00 0.00 O ATOM 0 H GLY A 76 -16.825 -1.298 0.497 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -19.185 -0.084 1.369 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -17.864 0.738 2.176 1.00 0.00 H new ATOM 1118 N PHE A 77 -17.678 2.250 0.209 1.00 0.00 N ATOM 1119 CA PHE A 77 -17.417 3.133 -0.922 1.00 0.00 C ATOM 1120 C PHE A 77 -15.983 3.654 -0.886 1.00 0.00 C ATOM 1121 O PHE A 77 -15.435 3.917 0.183 1.00 0.00 O ATOM 1122 CB PHE A 77 -18.398 4.307 -0.917 1.00 0.00 C ATOM 1123 CG PHE A 77 -18.544 4.960 0.428 1.00 0.00 C ATOM 1124 CD1 PHE A 77 -17.568 5.821 0.904 1.00 0.00 C ATOM 1125 CD2 PHE A 77 -19.657 4.714 1.215 1.00 0.00 C ATOM 1126 CE1 PHE A 77 -17.700 6.424 2.141 1.00 0.00 C ATOM 1127 CE2 PHE A 77 -19.794 5.314 2.452 1.00 0.00 C ATOM 1128 CZ PHE A 77 -18.814 6.169 2.916 1.00 0.00 C ATOM 0 H PHE A 77 -17.712 2.721 1.113 1.00 0.00 H new ATOM 0 HA PHE A 77 -17.553 2.558 -1.838 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -18.065 5.052 -1.639 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -19.375 3.955 -1.249 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -16.695 6.023 0.302 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -20.426 4.046 0.858 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -16.933 7.094 2.501 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -20.667 5.114 3.056 1.00 0.00 H new ATOM 0 HZ PHE A 77 -18.919 6.637 3.883 1.00 0.00 H new ATOM 1138 N GLU A 78 -15.383 3.799 -2.064 1.00 0.00 N ATOM 1139 CA GLU A 78 -14.013 4.287 -2.166 1.00 0.00 C ATOM 1140 C GLU A 78 -13.926 5.757 -1.765 1.00 0.00 C ATOM 1141 O GLU A 78 -14.943 6.443 -1.664 1.00 0.00 O ATOM 1142 CB GLU A 78 -13.489 4.105 -3.593 1.00 0.00 C ATOM 1143 CG GLU A 78 -12.121 3.446 -3.659 1.00 0.00 C ATOM 1144 CD GLU A 78 -12.206 1.936 -3.770 1.00 0.00 C ATOM 1145 OE1 GLU A 78 -13.099 1.444 -4.491 1.00 0.00 O ATOM 1146 OE2 GLU A 78 -11.380 1.247 -3.135 1.00 0.00 O ATOM 0 H GLU A 78 -15.823 3.586 -2.959 1.00 0.00 H new ATOM 0 HA GLU A 78 -13.396 3.705 -1.482 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -14.201 3.503 -4.159 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -13.438 5.079 -4.079 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -11.573 3.839 -4.515 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -11.551 3.710 -2.768 1.00 0.00 H new ATOM 1153 N GLN A 79 -12.706 6.232 -1.538 1.00 0.00 N ATOM 1154 CA GLN A 79 -12.487 7.619 -1.146 1.00 0.00 C ATOM 1155 C GLN A 79 -12.660 8.555 -2.338 1.00 0.00 C ATOM 1156 O GLN A 79 -12.755 8.109 -3.481 1.00 0.00 O ATOM 1157 CB GLN A 79 -11.090 7.788 -0.548 1.00 0.00 C ATOM 1158 CG GLN A 79 -11.100 8.217 0.910 1.00 0.00 C ATOM 1159 CD GLN A 79 -10.634 9.648 1.101 1.00 0.00 C ATOM 1160 OE1 GLN A 79 -11.405 10.513 1.516 1.00 0.00 O ATOM 1161 NE2 GLN A 79 -9.367 9.903 0.797 1.00 0.00 N ATOM 0 H GLN A 79 -11.854 5.677 -1.619 1.00 0.00 H new ATOM 0 HA GLN A 79 -13.230 7.879 -0.392 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -10.549 6.846 -0.637 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -10.541 8.527 -1.132 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -12.109 8.111 1.309 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -10.458 7.550 1.485 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -8.764 9.154 0.456 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -8.997 10.847 0.904 1.00 0.00 H new ATOM 1170 N ALA A 80 -12.700 9.854 -2.063 1.00 0.00 N ATOM 1171 CA ALA A 80 -12.859 10.853 -3.112 1.00 0.00 C ATOM 1172 C ALA A 80 -11.783 11.930 -3.014 1.00 0.00 C ATOM 1173 O ALA A 80 -11.789 12.745 -2.091 1.00 0.00 O ATOM 1174 CB ALA A 80 -14.244 11.479 -3.040 1.00 0.00 C ATOM 0 H ALA A 80 -12.624 10.240 -1.122 1.00 0.00 H new ATOM 0 HA ALA A 80 -12.748 10.353 -4.074 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -14.348 12.223 -3.829 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -15.000 10.705 -3.169 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -14.377 11.958 -2.070 1.00 0.00 H new ATOM 1180 N THR A 81 -10.860 11.926 -3.970 1.00 0.00 N ATOM 1181 CA THR A 81 -9.777 12.901 -3.990 1.00 0.00 C ATOM 1182 C THR A 81 -10.316 14.324 -3.894 1.00 0.00 C ATOM 1183 O THR A 81 -11.471 14.583 -4.231 1.00 0.00 O ATOM 1184 CB THR A 81 -8.927 12.772 -5.268 1.00 0.00 C ATOM 1185 OG1 THR A 81 -8.024 13.878 -5.370 1.00 0.00 O ATOM 1186 CG2 THR A 81 -9.813 12.718 -6.503 1.00 0.00 C ATOM 0 H THR A 81 -10.841 11.258 -4.741 1.00 0.00 H new ATOM 0 HA THR A 81 -9.150 12.693 -3.123 1.00 0.00 H new ATOM 0 HB THR A 81 -8.358 11.844 -5.207 1.00 0.00 H new ATOM 0 HG1 THR A 81 -7.486 13.787 -6.184 1.00 0.00 H new ATOM 0 HG21 THR A 81 -9.191 12.627 -7.393 1.00 0.00 H new ATOM 0 HG22 THR A 81 -10.479 11.858 -6.436 1.00 0.00 H new ATOM 0 HG23 THR A 81 -10.405 13.631 -6.566 1.00 0.00 H new ATOM 1194 N GLN A 82 -9.472 15.242 -3.432 1.00 0.00 N ATOM 1195 CA GLN A 82 -9.866 16.639 -3.293 1.00 0.00 C ATOM 1196 C GLN A 82 -9.770 17.367 -4.629 1.00 0.00 C ATOM 1197 O GLN A 82 -9.065 16.929 -5.536 1.00 0.00 O ATOM 1198 CB GLN A 82 -8.986 17.337 -2.254 1.00 0.00 C ATOM 1199 CG GLN A 82 -9.616 17.407 -0.872 1.00 0.00 C ATOM 1200 CD GLN A 82 -9.554 18.797 -0.272 1.00 0.00 C ATOM 1201 OE1 GLN A 82 -8.607 19.548 -0.511 1.00 0.00 O ATOM 1202 NE2 GLN A 82 -10.565 19.149 0.513 1.00 0.00 N ATOM 0 H GLN A 82 -8.513 15.043 -3.148 1.00 0.00 H new ATOM 0 HA GLN A 82 -10.903 16.667 -2.959 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -8.034 16.811 -2.184 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -8.767 18.348 -2.596 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -10.657 17.089 -0.935 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -9.108 16.706 -0.209 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -11.329 18.496 0.684 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -10.578 20.073 0.945 1.00 0.00 H new ATOM 1211 N GLU A 83 -10.486 18.482 -4.742 1.00 0.00 N ATOM 1212 CA GLU A 83 -10.482 19.270 -5.969 1.00 0.00 C ATOM 1213 C GLU A 83 -9.059 19.657 -6.363 1.00 0.00 C ATOM 1214 O GLU A 83 -8.121 19.488 -5.585 1.00 0.00 O ATOM 1215 CB GLU A 83 -11.334 20.529 -5.796 1.00 0.00 C ATOM 1216 CG GLU A 83 -12.824 20.284 -5.966 1.00 0.00 C ATOM 1217 CD GLU A 83 -13.360 20.830 -7.275 1.00 0.00 C ATOM 1218 OE1 GLU A 83 -13.477 22.067 -7.397 1.00 0.00 O ATOM 1219 OE2 GLU A 83 -13.661 20.021 -8.177 1.00 0.00 O ATOM 0 H GLU A 83 -11.075 18.859 -4.000 1.00 0.00 H new ATOM 0 HA GLU A 83 -10.908 18.658 -6.764 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -11.154 20.946 -4.805 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -11.012 21.277 -6.520 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -13.020 19.213 -5.916 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -13.361 20.745 -5.137 1.00 0.00 H new ATOM 1226 N TYR A 84 -8.908 20.175 -7.577 1.00 0.00 N ATOM 1227 CA TYR A 84 -7.600 20.583 -8.076 1.00 0.00 C ATOM 1228 C TYR A 84 -7.529 22.098 -8.242 1.00 0.00 C ATOM 1229 O TYR A 84 -8.500 22.736 -8.648 1.00 0.00 O ATOM 1230 CB TYR A 84 -7.305 19.898 -9.412 1.00 0.00 C ATOM 1231 CG TYR A 84 -8.402 20.073 -10.437 1.00 0.00 C ATOM 1232 CD1 TYR A 84 -9.451 19.165 -10.523 1.00 0.00 C ATOM 1233 CD2 TYR A 84 -8.390 21.145 -11.321 1.00 0.00 C ATOM 1234 CE1 TYR A 84 -10.455 19.321 -11.459 1.00 0.00 C ATOM 1235 CE2 TYR A 84 -9.390 21.309 -12.260 1.00 0.00 C ATOM 1236 CZ TYR A 84 -10.421 20.394 -12.325 1.00 0.00 C ATOM 1237 OH TYR A 84 -11.418 20.553 -13.259 1.00 0.00 O ATOM 0 H TYR A 84 -9.675 20.322 -8.233 1.00 0.00 H new ATOM 0 HA TYR A 84 -6.849 20.280 -7.346 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -6.374 20.295 -9.817 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -7.148 18.833 -9.238 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -9.482 18.323 -9.847 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -7.585 21.863 -11.273 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -11.263 18.606 -11.512 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -9.365 22.148 -12.939 1.00 0.00 H new ATOM 0 HH TYR A 84 -11.244 21.359 -13.789 1.00 0.00 H new ATOM 1247 N SER A 85 -6.370 22.667 -7.924 1.00 0.00 N ATOM 1248 CA SER A 85 -6.170 24.107 -8.035 1.00 0.00 C ATOM 1249 C SER A 85 -5.319 24.446 -9.255 1.00 0.00 C ATOM 1250 O SER A 85 -4.089 24.422 -9.194 1.00 0.00 O ATOM 1251 CB SER A 85 -5.505 24.649 -6.768 1.00 0.00 C ATOM 1252 OG SER A 85 -6.340 24.471 -5.637 1.00 0.00 O ATOM 0 H SER A 85 -5.556 22.153 -7.588 1.00 0.00 H new ATOM 0 HA SER A 85 -7.146 24.576 -8.154 1.00 0.00 H new ATOM 0 HB2 SER A 85 -4.555 24.140 -6.606 1.00 0.00 H new ATOM 0 HB3 SER A 85 -5.281 25.708 -6.896 1.00 0.00 H new ATOM 0 HG SER A 85 -5.891 24.824 -4.840 1.00 0.00 H new ATOM 1258 N LEU A 86 -5.983 24.761 -10.361 1.00 0.00 N ATOM 1259 CA LEU A 86 -5.289 25.106 -11.598 1.00 0.00 C ATOM 1260 C LEU A 86 -5.267 26.616 -11.807 1.00 0.00 C ATOM 1261 O LEU A 86 -4.375 27.149 -12.467 1.00 0.00 O ATOM 1262 CB LEU A 86 -5.961 24.423 -12.790 1.00 0.00 C ATOM 1263 CG LEU A 86 -5.026 23.728 -13.780 1.00 0.00 C ATOM 1264 CD1 LEU A 86 -5.825 23.060 -14.889 1.00 0.00 C ATOM 1265 CD2 LEU A 86 -4.030 24.720 -14.361 1.00 0.00 C ATOM 0 H LEU A 86 -7.001 24.785 -10.427 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.260 24.755 -11.519 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -6.668 23.686 -12.410 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.541 25.170 -13.332 1.00 0.00 H new ATOM 0 HG LEU A 86 -4.470 22.958 -13.245 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -5.143 22.570 -15.584 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -6.497 22.319 -14.457 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -6.408 23.812 -15.421 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.373 24.207 -15.063 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.568 25.513 -14.880 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.435 25.151 -13.556 1.00 0.00 H new ATOM 1277 N SER A 87 -6.254 27.302 -11.239 1.00 0.00 N ATOM 1278 CA SER A 87 -6.350 28.751 -11.365 1.00 0.00 C ATOM 1279 C SER A 87 -6.426 29.165 -12.832 1.00 0.00 C ATOM 1280 O SER A 87 -5.438 29.608 -13.416 1.00 0.00 O ATOM 1281 CB SER A 87 -5.149 29.422 -10.696 1.00 0.00 C ATOM 1282 OG SER A 87 -4.819 28.780 -9.477 1.00 0.00 O ATOM 0 H SER A 87 -6.999 26.877 -10.687 1.00 0.00 H new ATOM 0 HA SER A 87 -7.263 29.075 -10.866 1.00 0.00 H new ATOM 0 HB2 SER A 87 -4.292 29.394 -11.369 1.00 0.00 H new ATOM 0 HB3 SER A 87 -5.373 30.472 -10.508 1.00 0.00 H new ATOM 0 HG SER A 87 -4.047 29.227 -9.070 1.00 0.00 H new ATOM 1288 N GLY A 88 -7.609 29.018 -13.421 1.00 0.00 N ATOM 1289 CA GLY A 88 -7.794 29.380 -14.814 1.00 0.00 C ATOM 1290 C GLY A 88 -8.826 28.512 -15.507 1.00 0.00 C ATOM 1291 O GLY A 88 -8.496 27.640 -16.311 1.00 0.00 O ATOM 0 H GLY A 88 -8.442 28.655 -12.958 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -8.101 30.424 -14.877 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -6.842 29.295 -15.338 1.00 0.00 H new ATOM 1295 N PRO A 89 -10.109 28.747 -15.193 1.00 0.00 N ATOM 1296 CA PRO A 89 -11.218 27.989 -15.780 1.00 0.00 C ATOM 1297 C PRO A 89 -11.419 28.306 -17.258 1.00 0.00 C ATOM 1298 O PRO A 89 -11.258 29.449 -17.685 1.00 0.00 O ATOM 1299 CB PRO A 89 -12.430 28.447 -14.965 1.00 0.00 C ATOM 1300 CG PRO A 89 -12.062 29.802 -14.466 1.00 0.00 C ATOM 1301 CD PRO A 89 -10.575 29.770 -14.243 1.00 0.00 C ATOM 0 HA PRO A 89 -11.043 26.914 -15.742 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -13.330 28.482 -15.579 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -12.634 27.764 -14.141 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -12.332 30.571 -15.190 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -12.591 30.035 -13.542 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -10.118 30.740 -14.441 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -10.329 29.505 -13.215 1.00 0.00 H new ATOM 1309 N SER A 90 -11.773 27.286 -18.034 1.00 0.00 N ATOM 1310 CA SER A 90 -11.992 27.456 -19.465 1.00 0.00 C ATOM 1311 C SER A 90 -10.726 27.954 -20.154 1.00 0.00 C ATOM 1312 O SER A 90 -9.685 28.121 -19.519 1.00 0.00 O ATOM 1313 CB SER A 90 -13.141 28.436 -19.714 1.00 0.00 C ATOM 1314 OG SER A 90 -14.268 28.113 -18.917 1.00 0.00 O ATOM 0 H SER A 90 -11.914 26.334 -17.696 1.00 0.00 H new ATOM 0 HA SER A 90 -12.254 26.485 -19.884 1.00 0.00 H new ATOM 0 HB2 SER A 90 -12.812 29.451 -19.491 1.00 0.00 H new ATOM 0 HB3 SER A 90 -13.419 28.416 -20.768 1.00 0.00 H new ATOM 0 HG SER A 90 -14.988 28.754 -19.093 1.00 0.00 H new ATOM 1320 N SER A 91 -10.823 28.190 -21.459 1.00 0.00 N ATOM 1321 CA SER A 91 -9.684 28.666 -22.236 1.00 0.00 C ATOM 1322 C SER A 91 -10.136 29.191 -23.595 1.00 0.00 C ATOM 1323 O SER A 91 -10.689 28.451 -24.408 1.00 0.00 O ATOM 1324 CB SER A 91 -8.663 27.543 -22.425 1.00 0.00 C ATOM 1325 OG SER A 91 -7.670 27.582 -21.416 1.00 0.00 O ATOM 0 H SER A 91 -11.678 28.059 -22.000 1.00 0.00 H new ATOM 0 HA SER A 91 -9.217 29.483 -21.686 1.00 0.00 H new ATOM 0 HB2 SER A 91 -9.170 26.579 -22.403 1.00 0.00 H new ATOM 0 HB3 SER A 91 -8.194 27.635 -23.405 1.00 0.00 H new ATOM 0 HG SER A 91 -8.088 27.786 -20.553 1.00 0.00 H new ATOM 1331 N GLY A 92 -9.897 30.477 -23.835 1.00 0.00 N ATOM 1332 CA GLY A 92 -10.286 31.081 -25.096 1.00 0.00 C ATOM 1333 C GLY A 92 -9.421 32.272 -25.459 1.00 0.00 C ATOM 1334 O GLY A 92 -9.248 32.547 -26.646 1.00 0.00 O ATOM 0 H GLY A 92 -9.441 31.111 -23.179 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -10.222 30.335 -25.888 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -11.328 31.396 -25.038 1.00 0.00 H new TER 1338 GLY A 92 HETATM 1339 ZN ZN A 201 16.114 -0.611 6.105 1.00 0.00 ZN HETATM 1340 ZN ZN A 401 2.119 0.843 3.045 1.00 0.00 ZN