USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 540 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 55 HIS HE2 : A 55 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 28 HIS : no HD1:sc= -0.104 K(o=-0.89,f=-5.2!) USER MOD Set 1.2: A 35 CYS SG : rot 120:sc= -0.784 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= -0.133 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 MET CE :methyl -133:sc= -0.343 (180deg=-1.28) USER MOD Single : A 12 THR OG1 : rot -170:sc= -2.26! USER MOD Single : A 14 ASN : amide:sc= -0.0223 X(o=-0.022,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -135:sc= -0.926 (180deg=-2.18!) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.00059) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.102 K(o=-0.1,f=-1.4) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 CYS SG : rot 117:sc= 1.68 USER MOD Single : A 39 SER OG : rot 180:sc=-0.000191 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -159:sc= -0.0467 (180deg=-0.34) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0308) USER MOD Single : A 60 SER OG : rot -17:sc= 0.482 USER MOD Single : A 63 GLN : amide:sc= -0.045 X(o=-0.045,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 161:sc= -0.0184 (180deg=-0.224) USER MOD Single : A 74 SER OG : rot 180:sc= -0.0806 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.924 11.695 10.121 1.00 0.00 N ATOM 2 CA GLY A 1 18.700 11.783 11.553 1.00 0.00 C ATOM 3 C GLY A 1 17.240 11.999 11.899 1.00 0.00 C ATOM 4 O GLY A 1 16.417 11.098 11.734 1.00 0.00 O ATOM 0 H1 GLY A 1 19.937 11.547 9.936 1.00 0.00 H new ATOM 0 H2 GLY A 1 18.381 10.897 9.733 1.00 0.00 H new ATOM 0 H3 GLY A 1 18.614 12.578 9.666 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.052 10.868 12.030 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.292 12.602 11.961 1.00 0.00 H new ATOM 8 N SER A 2 16.918 13.194 12.382 1.00 0.00 N ATOM 9 CA SER A 2 15.548 13.523 12.758 1.00 0.00 C ATOM 10 C SER A 2 14.880 14.377 11.684 1.00 0.00 C ATOM 11 O SER A 2 13.828 14.019 11.156 1.00 0.00 O ATOM 12 CB SER A 2 15.528 14.261 14.098 1.00 0.00 C ATOM 13 OG SER A 2 14.217 14.690 14.424 1.00 0.00 O ATOM 0 H SER A 2 17.587 13.951 12.522 1.00 0.00 H new ATOM 0 HA SER A 2 14.990 12.592 12.856 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.906 13.606 14.883 1.00 0.00 H new ATOM 0 HB3 SER A 2 16.195 15.122 14.053 1.00 0.00 H new ATOM 0 HG SER A 2 14.230 15.157 15.285 1.00 0.00 H new ATOM 19 N SER A 3 15.500 15.509 11.367 1.00 0.00 N ATOM 20 CA SER A 3 14.965 16.418 10.359 1.00 0.00 C ATOM 21 C SER A 3 14.903 15.739 8.994 1.00 0.00 C ATOM 22 O SER A 3 15.519 14.696 8.779 1.00 0.00 O ATOM 23 CB SER A 3 15.823 17.682 10.275 1.00 0.00 C ATOM 24 OG SER A 3 15.278 18.606 9.349 1.00 0.00 O ATOM 0 H SER A 3 16.373 15.819 11.793 1.00 0.00 H new ATOM 0 HA SER A 3 13.953 16.694 10.654 1.00 0.00 H new ATOM 0 HB2 SER A 3 15.891 18.146 11.259 1.00 0.00 H new ATOM 0 HB3 SER A 3 16.837 17.418 9.976 1.00 0.00 H new ATOM 0 HG SER A 3 15.843 19.406 9.314 1.00 0.00 H new ATOM 30 N GLY A 4 14.155 16.340 8.074 1.00 0.00 N ATOM 31 CA GLY A 4 14.025 15.781 6.742 1.00 0.00 C ATOM 32 C GLY A 4 13.352 16.735 5.775 1.00 0.00 C ATOM 33 O GLY A 4 13.563 17.947 5.841 1.00 0.00 O ATOM 0 H GLY A 4 13.636 17.205 8.228 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.013 15.521 6.362 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.450 14.856 6.794 1.00 0.00 H new ATOM 37 N SER A 5 12.542 16.189 4.874 1.00 0.00 N ATOM 38 CA SER A 5 11.841 17.000 3.886 1.00 0.00 C ATOM 39 C SER A 5 10.694 17.772 4.531 1.00 0.00 C ATOM 40 O SER A 5 10.353 17.543 5.692 1.00 0.00 O ATOM 41 CB SER A 5 11.305 16.117 2.757 1.00 0.00 C ATOM 42 OG SER A 5 11.250 16.830 1.534 1.00 0.00 O ATOM 0 H SER A 5 12.355 15.188 4.808 1.00 0.00 H new ATOM 0 HA SER A 5 12.550 17.716 3.472 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.943 15.241 2.642 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.310 15.755 3.016 1.00 0.00 H new ATOM 0 HG SER A 5 10.906 16.243 0.828 1.00 0.00 H new ATOM 48 N SER A 6 10.101 18.686 3.770 1.00 0.00 N ATOM 49 CA SER A 6 8.995 19.495 4.268 1.00 0.00 C ATOM 50 C SER A 6 7.664 18.776 4.069 1.00 0.00 C ATOM 51 O SER A 6 6.962 18.469 5.032 1.00 0.00 O ATOM 52 CB SER A 6 8.966 20.850 3.558 1.00 0.00 C ATOM 53 OG SER A 6 7.827 21.602 3.940 1.00 0.00 O ATOM 0 H SER A 6 10.368 18.885 2.806 1.00 0.00 H new ATOM 0 HA SER A 6 9.146 19.655 5.335 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.871 21.409 3.797 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.960 20.698 2.479 1.00 0.00 H new ATOM 0 HG SER A 6 7.833 22.464 3.474 1.00 0.00 H new ATOM 59 N GLY A 7 7.324 18.510 2.812 1.00 0.00 N ATOM 60 CA GLY A 7 6.079 17.829 2.508 1.00 0.00 C ATOM 61 C GLY A 7 6.293 16.554 1.717 1.00 0.00 C ATOM 62 O GLY A 7 6.065 16.520 0.508 1.00 0.00 O ATOM 0 H GLY A 7 7.889 18.754 1.998 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.561 17.593 3.438 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.431 18.499 1.943 1.00 0.00 H new ATOM 66 N MET A 8 6.735 15.503 2.400 1.00 0.00 N ATOM 67 CA MET A 8 6.980 14.219 1.752 1.00 0.00 C ATOM 68 C MET A 8 5.709 13.378 1.712 1.00 0.00 C ATOM 69 O MET A 8 5.020 13.229 2.721 1.00 0.00 O ATOM 70 CB MET A 8 8.087 13.458 2.485 1.00 0.00 C ATOM 71 CG MET A 8 8.260 12.026 2.004 1.00 0.00 C ATOM 72 SD MET A 8 9.824 11.301 2.532 1.00 0.00 S ATOM 73 CE MET A 8 10.992 12.360 1.683 1.00 0.00 C ATOM 0 H MET A 8 6.931 15.515 3.401 1.00 0.00 H new ATOM 0 HA MET A 8 7.298 14.412 0.727 1.00 0.00 H new ATOM 0 HB2 MET A 8 9.029 13.992 2.358 1.00 0.00 H new ATOM 0 HB3 MET A 8 7.866 13.450 3.552 1.00 0.00 H new ATOM 0 HG2 MET A 8 7.437 11.418 2.380 1.00 0.00 H new ATOM 0 HG3 MET A 8 8.202 12.003 0.916 1.00 0.00 H new ATOM 0 HE1 MET A 8 11.747 11.747 1.190 1.00 0.00 H new ATOM 0 HE2 MET A 8 10.467 12.958 0.938 1.00 0.00 H new ATOM 0 HE3 MET A 8 11.475 13.021 2.403 1.00 0.00 H new ATOM 83 N VAL A 9 5.403 12.831 0.540 1.00 0.00 N ATOM 84 CA VAL A 9 4.214 12.004 0.370 1.00 0.00 C ATOM 85 C VAL A 9 4.471 10.572 0.824 1.00 0.00 C ATOM 86 O VAL A 9 5.548 10.021 0.597 1.00 0.00 O ATOM 87 CB VAL A 9 3.747 11.989 -1.098 1.00 0.00 C ATOM 88 CG1 VAL A 9 2.536 11.083 -1.264 1.00 0.00 C ATOM 89 CG2 VAL A 9 3.435 13.401 -1.572 1.00 0.00 C ATOM 0 H VAL A 9 5.962 12.945 -0.306 1.00 0.00 H new ATOM 0 HA VAL A 9 3.432 12.443 0.989 1.00 0.00 H new ATOM 0 HB VAL A 9 4.554 11.593 -1.714 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.220 11.085 -2.307 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.798 10.068 -0.966 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.721 11.446 -0.638 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.107 13.372 -2.611 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.645 13.826 -0.953 1.00 0.00 H new ATOM 0 HG23 VAL A 9 4.330 14.018 -1.492 1.00 0.00 H new ATOM 99 N PHE A 10 3.474 9.973 1.467 1.00 0.00 N ATOM 100 CA PHE A 10 3.592 8.604 1.954 1.00 0.00 C ATOM 101 C PHE A 10 2.556 7.700 1.292 1.00 0.00 C ATOM 102 O PHE A 10 1.800 8.135 0.423 1.00 0.00 O ATOM 103 CB PHE A 10 3.422 8.565 3.475 1.00 0.00 C ATOM 104 CG PHE A 10 4.627 9.056 4.225 1.00 0.00 C ATOM 105 CD1 PHE A 10 5.024 10.380 4.134 1.00 0.00 C ATOM 106 CD2 PHE A 10 5.362 8.193 5.022 1.00 0.00 C ATOM 107 CE1 PHE A 10 6.132 10.835 4.823 1.00 0.00 C ATOM 108 CE2 PHE A 10 6.471 8.642 5.714 1.00 0.00 C ATOM 109 CZ PHE A 10 6.857 9.965 5.614 1.00 0.00 C ATOM 0 H PHE A 10 2.576 10.414 1.663 1.00 0.00 H new ATOM 0 HA PHE A 10 4.586 8.237 1.697 1.00 0.00 H new ATOM 0 HB2 PHE A 10 2.560 9.171 3.752 1.00 0.00 H new ATOM 0 HB3 PHE A 10 3.204 7.542 3.782 1.00 0.00 H new ATOM 0 HD1 PHE A 10 4.461 11.065 3.517 1.00 0.00 H new ATOM 0 HD2 PHE A 10 5.065 7.158 5.103 1.00 0.00 H new ATOM 0 HE1 PHE A 10 6.431 11.870 4.743 1.00 0.00 H new ATOM 0 HE2 PHE A 10 7.035 7.960 6.332 1.00 0.00 H new ATOM 0 HZ PHE A 10 7.724 10.318 6.153 1.00 0.00 H new ATOM 119 N PHE A 11 2.528 6.438 1.709 1.00 0.00 N ATOM 120 CA PHE A 11 1.586 5.471 1.157 1.00 0.00 C ATOM 121 C PHE A 11 1.446 4.262 2.076 1.00 0.00 C ATOM 122 O PHE A 11 2.317 3.992 2.904 1.00 0.00 O ATOM 123 CB PHE A 11 2.043 5.020 -0.232 1.00 0.00 C ATOM 124 CG PHE A 11 2.150 6.143 -1.223 1.00 0.00 C ATOM 125 CD1 PHE A 11 1.042 6.554 -1.946 1.00 0.00 C ATOM 126 CD2 PHE A 11 3.358 6.789 -1.430 1.00 0.00 C ATOM 127 CE1 PHE A 11 1.138 7.587 -2.859 1.00 0.00 C ATOM 128 CE2 PHE A 11 3.460 7.823 -2.342 1.00 0.00 C ATOM 129 CZ PHE A 11 2.348 8.224 -3.056 1.00 0.00 C ATOM 0 H PHE A 11 3.147 6.061 2.427 1.00 0.00 H new ATOM 0 HA PHE A 11 0.613 5.955 1.073 1.00 0.00 H new ATOM 0 HB2 PHE A 11 3.013 4.530 -0.145 1.00 0.00 H new ATOM 0 HB3 PHE A 11 1.343 4.276 -0.612 1.00 0.00 H new ATOM 0 HD1 PHE A 11 0.093 6.062 -1.794 1.00 0.00 H new ATOM 0 HD2 PHE A 11 4.230 6.481 -0.872 1.00 0.00 H new ATOM 0 HE1 PHE A 11 0.267 7.896 -3.418 1.00 0.00 H new ATOM 0 HE2 PHE A 11 4.408 8.317 -2.496 1.00 0.00 H new ATOM 0 HZ PHE A 11 2.424 9.034 -3.767 1.00 0.00 H new ATOM 139 N THR A 12 0.342 3.536 1.926 1.00 0.00 N ATOM 140 CA THR A 12 0.085 2.357 2.743 1.00 0.00 C ATOM 141 C THR A 12 0.000 1.101 1.884 1.00 0.00 C ATOM 142 O THR A 12 -0.814 1.020 0.963 1.00 0.00 O ATOM 143 CB THR A 12 -1.220 2.505 3.548 1.00 0.00 C ATOM 144 OG1 THR A 12 -1.128 3.630 4.428 1.00 0.00 O ATOM 145 CG2 THR A 12 -1.504 1.246 4.354 1.00 0.00 C ATOM 0 H THR A 12 -0.389 3.745 1.246 1.00 0.00 H new ATOM 0 HA THR A 12 0.921 2.264 3.436 1.00 0.00 H new ATOM 0 HB THR A 12 -2.039 2.660 2.845 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.889 3.626 5.045 1.00 0.00 H new ATOM 0 HG21 THR A 12 -2.430 1.374 4.914 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.603 0.396 3.679 1.00 0.00 H new ATOM 0 HG23 THR A 12 -0.683 1.065 5.047 1.00 0.00 H new ATOM 153 N CYS A 13 0.843 0.121 2.190 1.00 0.00 N ATOM 154 CA CYS A 13 0.863 -1.132 1.447 1.00 0.00 C ATOM 155 C CYS A 13 -0.334 -2.004 1.816 1.00 0.00 C ATOM 156 O CYS A 13 -0.456 -2.459 2.953 1.00 0.00 O ATOM 157 CB CYS A 13 2.164 -1.891 1.720 1.00 0.00 C ATOM 158 SG CYS A 13 2.270 -3.509 0.888 1.00 0.00 S ATOM 0 H CYS A 13 1.522 0.171 2.949 1.00 0.00 H new ATOM 0 HA CYS A 13 0.804 -0.895 0.385 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.005 -1.275 1.402 1.00 0.00 H new ATOM 0 HB3 CYS A 13 2.267 -2.040 2.795 1.00 0.00 H new ATOM 163 N ASN A 14 -1.215 -2.231 0.847 1.00 0.00 N ATOM 164 CA ASN A 14 -2.402 -3.047 1.071 1.00 0.00 C ATOM 165 C ASN A 14 -2.090 -4.528 0.873 1.00 0.00 C ATOM 166 O ASN A 14 -2.989 -5.337 0.643 1.00 0.00 O ATOM 167 CB ASN A 14 -3.525 -2.621 0.123 1.00 0.00 C ATOM 168 CG ASN A 14 -4.053 -1.235 0.439 1.00 0.00 C ATOM 169 OD1 ASN A 14 -3.955 -0.320 -0.379 1.00 0.00 O ATOM 170 ND2 ASN A 14 -4.617 -1.074 1.631 1.00 0.00 N ATOM 0 H ASN A 14 -1.129 -1.862 -0.100 1.00 0.00 H new ATOM 0 HA ASN A 14 -2.727 -2.896 2.101 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -3.158 -2.642 -0.903 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -4.341 -3.341 0.184 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -4.991 -0.164 1.900 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -4.677 -1.861 2.277 1.00 0.00 H new ATOM 177 N ALA A 15 -0.811 -4.874 0.966 1.00 0.00 N ATOM 178 CA ALA A 15 -0.380 -6.257 0.800 1.00 0.00 C ATOM 179 C ALA A 15 -0.001 -6.878 2.141 1.00 0.00 C ATOM 180 O ALA A 15 -0.416 -7.993 2.460 1.00 0.00 O ATOM 181 CB ALA A 15 0.791 -6.333 -0.168 1.00 0.00 C ATOM 0 H ALA A 15 -0.055 -4.216 1.155 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.215 -6.825 0.388 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.102 -7.371 -0.282 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.488 -5.936 -1.137 1.00 0.00 H new ATOM 0 HB3 ALA A 15 1.623 -5.746 0.221 1.00 0.00 H new ATOM 187 N CYS A 16 0.790 -6.151 2.922 1.00 0.00 N ATOM 188 CA CYS A 16 1.227 -6.630 4.228 1.00 0.00 C ATOM 189 C CYS A 16 0.673 -5.750 5.344 1.00 0.00 C ATOM 190 O CYS A 16 0.215 -6.246 6.372 1.00 0.00 O ATOM 191 CB CYS A 16 2.755 -6.661 4.298 1.00 0.00 C ATOM 192 SG CYS A 16 3.538 -5.022 4.167 1.00 0.00 S ATOM 0 H CYS A 16 1.142 -5.227 2.673 1.00 0.00 H new ATOM 0 HA CYS A 16 0.843 -7.641 4.363 1.00 0.00 H new ATOM 0 HB2 CYS A 16 3.056 -7.121 5.239 1.00 0.00 H new ATOM 0 HB3 CYS A 16 3.132 -7.297 3.497 1.00 0.00 H new ATOM 197 N GLY A 17 0.717 -4.437 5.132 1.00 0.00 N ATOM 198 CA GLY A 17 0.216 -3.508 6.128 1.00 0.00 C ATOM 199 C GLY A 17 1.330 -2.837 6.906 1.00 0.00 C ATOM 200 O GLY A 17 1.442 -3.013 8.119 1.00 0.00 O ATOM 0 H GLY A 17 1.090 -4.001 4.289 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -0.391 -2.747 5.638 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -0.438 -4.039 6.820 1.00 0.00 H new ATOM 204 N GLU A 18 2.158 -2.066 6.207 1.00 0.00 N ATOM 205 CA GLU A 18 3.270 -1.369 6.841 1.00 0.00 C ATOM 206 C GLU A 18 3.476 0.009 6.217 1.00 0.00 C ATOM 207 O GLU A 18 3.117 0.239 5.063 1.00 0.00 O ATOM 208 CB GLU A 18 4.554 -2.192 6.719 1.00 0.00 C ATOM 209 CG GLU A 18 4.735 -3.207 7.836 1.00 0.00 C ATOM 210 CD GLU A 18 5.461 -2.631 9.035 1.00 0.00 C ATOM 211 OE1 GLU A 18 5.025 -1.576 9.542 1.00 0.00 O ATOM 212 OE2 GLU A 18 6.466 -3.234 9.467 1.00 0.00 O ATOM 0 H GLU A 18 2.079 -1.909 5.202 1.00 0.00 H new ATOM 0 HA GLU A 18 3.029 -1.239 7.896 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.551 -2.714 5.762 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.409 -1.516 6.711 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.758 -3.575 8.150 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.291 -4.064 7.456 1.00 0.00 H new ATOM 219 N SER A 19 4.054 0.922 6.991 1.00 0.00 N ATOM 220 CA SER A 19 4.304 2.278 6.517 1.00 0.00 C ATOM 221 C SER A 19 5.539 2.322 5.622 1.00 0.00 C ATOM 222 O SER A 19 6.594 1.794 5.974 1.00 0.00 O ATOM 223 CB SER A 19 4.484 3.230 7.701 1.00 0.00 C ATOM 224 OG SER A 19 5.644 2.904 8.446 1.00 0.00 O ATOM 0 H SER A 19 4.358 0.747 7.949 1.00 0.00 H new ATOM 0 HA SER A 19 3.441 2.596 5.932 1.00 0.00 H new ATOM 0 HB2 SER A 19 4.557 4.256 7.339 1.00 0.00 H new ATOM 0 HB3 SER A 19 3.608 3.181 8.347 1.00 0.00 H new ATOM 0 HG SER A 19 5.737 3.528 9.196 1.00 0.00 H new ATOM 230 N VAL A 20 5.399 2.956 4.462 1.00 0.00 N ATOM 231 CA VAL A 20 6.502 3.071 3.516 1.00 0.00 C ATOM 232 C VAL A 20 6.571 4.473 2.920 1.00 0.00 C ATOM 233 O VAL A 20 5.545 5.106 2.673 1.00 0.00 O ATOM 234 CB VAL A 20 6.372 2.046 2.374 1.00 0.00 C ATOM 235 CG1 VAL A 20 7.674 1.947 1.594 1.00 0.00 C ATOM 236 CG2 VAL A 20 5.965 0.687 2.923 1.00 0.00 C ATOM 0 H VAL A 20 4.532 3.398 4.155 1.00 0.00 H new ATOM 0 HA VAL A 20 7.418 2.870 4.072 1.00 0.00 H new ATOM 0 HB VAL A 20 5.593 2.385 1.691 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.563 1.218 0.791 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.918 2.920 1.169 1.00 0.00 H new ATOM 0 HG13 VAL A 20 8.475 1.632 2.262 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.878 -0.025 2.103 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.720 0.338 3.628 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.005 0.773 3.433 1.00 0.00 H new ATOM 246 N LYS A 21 7.789 4.953 2.691 1.00 0.00 N ATOM 247 CA LYS A 21 7.995 6.280 2.122 1.00 0.00 C ATOM 248 C LYS A 21 8.057 6.215 0.599 1.00 0.00 C ATOM 249 O LYS A 21 8.467 5.205 0.027 1.00 0.00 O ATOM 250 CB LYS A 21 9.282 6.898 2.670 1.00 0.00 C ATOM 251 CG LYS A 21 9.432 6.757 4.175 1.00 0.00 C ATOM 252 CD LYS A 21 10.575 7.608 4.704 1.00 0.00 C ATOM 253 CE LYS A 21 10.314 8.067 6.130 1.00 0.00 C ATOM 254 NZ LYS A 21 11.563 8.513 6.807 1.00 0.00 N ATOM 0 H LYS A 21 8.649 4.442 2.891 1.00 0.00 H new ATOM 0 HA LYS A 21 7.149 6.906 2.407 1.00 0.00 H new ATOM 0 HB2 LYS A 21 10.137 6.429 2.183 1.00 0.00 H new ATOM 0 HB3 LYS A 21 9.307 7.956 2.408 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.503 7.050 4.663 1.00 0.00 H new ATOM 0 HG3 LYS A 21 9.609 5.711 4.428 1.00 0.00 H new ATOM 0 HD2 LYS A 21 11.502 7.036 4.669 1.00 0.00 H new ATOM 0 HD3 LYS A 21 10.711 8.477 4.060 1.00 0.00 H new ATOM 0 HE2 LYS A 21 9.593 8.885 6.122 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.865 7.252 6.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 11.342 8.818 7.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 12.242 7.725 6.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 11.979 9.308 6.280 1.00 0.00 H new ATOM 268 N LYS A 22 7.651 7.300 -0.052 1.00 0.00 N ATOM 269 CA LYS A 22 7.663 7.368 -1.508 1.00 0.00 C ATOM 270 C LYS A 22 9.062 7.099 -2.053 1.00 0.00 C ATOM 271 O LYS A 22 9.219 6.487 -3.110 1.00 0.00 O ATOM 272 CB LYS A 22 7.175 8.740 -1.979 1.00 0.00 C ATOM 273 CG LYS A 22 7.211 8.914 -3.487 1.00 0.00 C ATOM 274 CD LYS A 22 7.350 10.376 -3.877 1.00 0.00 C ATOM 275 CE LYS A 22 7.427 10.545 -5.387 1.00 0.00 C ATOM 276 NZ LYS A 22 7.850 11.920 -5.770 1.00 0.00 N ATOM 0 H LYS A 22 7.309 8.145 0.406 1.00 0.00 H new ATOM 0 HA LYS A 22 6.990 6.600 -1.889 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.154 8.893 -1.628 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.790 9.513 -1.518 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.044 8.346 -3.900 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.299 8.505 -3.923 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.501 10.939 -3.490 1.00 0.00 H new ATOM 0 HD3 LYS A 22 8.246 10.793 -3.417 1.00 0.00 H new ATOM 0 HE2 LYS A 22 8.130 9.821 -5.798 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.453 10.329 -5.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 7.244 12.268 -6.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 7.762 12.552 -4.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 8.840 11.903 -6.089 1.00 0.00 H new ATOM 290 N ILE A 23 10.074 7.559 -1.326 1.00 0.00 N ATOM 291 CA ILE A 23 11.459 7.365 -1.737 1.00 0.00 C ATOM 292 C ILE A 23 11.974 5.996 -1.306 1.00 0.00 C ATOM 293 O ILE A 23 13.007 5.532 -1.787 1.00 0.00 O ATOM 294 CB ILE A 23 12.377 8.454 -1.151 1.00 0.00 C ATOM 295 CG1 ILE A 23 12.400 8.366 0.376 1.00 0.00 C ATOM 296 CG2 ILE A 23 11.918 9.833 -1.600 1.00 0.00 C ATOM 297 CD1 ILE A 23 13.604 9.033 1.003 1.00 0.00 C ATOM 0 H ILE A 23 9.961 8.069 -0.450 1.00 0.00 H new ATOM 0 HA ILE A 23 11.478 7.431 -2.825 1.00 0.00 H new ATOM 0 HB ILE A 23 13.389 8.291 -1.521 1.00 0.00 H new ATOM 0 HG12 ILE A 23 11.494 8.825 0.772 1.00 0.00 H new ATOM 0 HG13 ILE A 23 12.381 7.317 0.671 1.00 0.00 H new ATOM 0 HG21 ILE A 23 12.577 10.591 -1.177 1.00 0.00 H new ATOM 0 HG22 ILE A 23 11.949 9.891 -2.688 1.00 0.00 H new ATOM 0 HG23 ILE A 23 10.898 10.007 -1.257 1.00 0.00 H new ATOM 0 HD11 ILE A 23 13.553 8.931 2.087 1.00 0.00 H new ATOM 0 HD12 ILE A 23 14.515 8.559 0.636 1.00 0.00 H new ATOM 0 HD13 ILE A 23 13.613 10.090 0.738 1.00 0.00 H new ATOM 309 N GLN A 24 11.245 5.355 -0.398 1.00 0.00 N ATOM 310 CA GLN A 24 11.628 4.038 0.097 1.00 0.00 C ATOM 311 C GLN A 24 10.631 2.976 -0.355 1.00 0.00 C ATOM 312 O GLN A 24 10.377 2.005 0.357 1.00 0.00 O ATOM 313 CB GLN A 24 11.720 4.050 1.624 1.00 0.00 C ATOM 314 CG GLN A 24 12.672 5.103 2.167 1.00 0.00 C ATOM 315 CD GLN A 24 13.290 4.704 3.492 1.00 0.00 C ATOM 316 OE1 GLN A 24 12.594 4.257 4.405 1.00 0.00 O ATOM 317 NE2 GLN A 24 14.603 4.862 3.606 1.00 0.00 N ATOM 0 H GLN A 24 10.387 5.726 0.009 1.00 0.00 H new ATOM 0 HA GLN A 24 12.606 3.793 -0.317 1.00 0.00 H new ATOM 0 HB2 GLN A 24 10.727 4.222 2.038 1.00 0.00 H new ATOM 0 HB3 GLN A 24 12.043 3.068 1.968 1.00 0.00 H new ATOM 0 HG2 GLN A 24 13.464 5.280 1.440 1.00 0.00 H new ATOM 0 HG3 GLN A 24 12.135 6.044 2.290 1.00 0.00 H new ATOM 0 HE21 GLN A 24 15.141 5.236 2.825 1.00 0.00 H new ATOM 0 HE22 GLN A 24 15.074 4.610 4.475 1.00 0.00 H new ATOM 326 N VAL A 25 10.069 3.167 -1.545 1.00 0.00 N ATOM 327 CA VAL A 25 9.100 2.225 -2.093 1.00 0.00 C ATOM 328 C VAL A 25 9.797 1.086 -2.829 1.00 0.00 C ATOM 329 O VAL A 25 9.582 -0.086 -2.524 1.00 0.00 O ATOM 330 CB VAL A 25 8.122 2.923 -3.056 1.00 0.00 C ATOM 331 CG1 VAL A 25 7.241 1.899 -3.756 1.00 0.00 C ATOM 332 CG2 VAL A 25 7.277 3.944 -2.310 1.00 0.00 C ATOM 0 H VAL A 25 10.268 3.965 -2.148 1.00 0.00 H new ATOM 0 HA VAL A 25 8.540 1.820 -1.250 1.00 0.00 H new ATOM 0 HB VAL A 25 8.700 3.450 -3.815 1.00 0.00 H new ATOM 0 HG11 VAL A 25 6.556 2.410 -4.433 1.00 0.00 H new ATOM 0 HG12 VAL A 25 7.865 1.210 -4.324 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.669 1.343 -3.013 1.00 0.00 H new ATOM 0 HG21 VAL A 25 6.592 4.427 -3.006 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.706 3.443 -1.528 1.00 0.00 H new ATOM 0 HG23 VAL A 25 7.927 4.695 -1.860 1.00 0.00 H new ATOM 342 N GLU A 26 10.632 1.441 -3.801 1.00 0.00 N ATOM 343 CA GLU A 26 11.361 0.448 -4.581 1.00 0.00 C ATOM 344 C GLU A 26 11.805 -0.717 -3.701 1.00 0.00 C ATOM 345 O GLU A 26 11.517 -1.877 -3.995 1.00 0.00 O ATOM 346 CB GLU A 26 12.578 1.087 -5.253 1.00 0.00 C ATOM 347 CG GLU A 26 13.511 1.790 -4.281 1.00 0.00 C ATOM 348 CD GLU A 26 14.501 2.702 -4.978 1.00 0.00 C ATOM 349 OE1 GLU A 26 14.127 3.310 -6.003 1.00 0.00 O ATOM 350 OE2 GLU A 26 15.650 2.807 -4.500 1.00 0.00 O ATOM 0 H GLU A 26 10.820 2.408 -4.067 1.00 0.00 H new ATOM 0 HA GLU A 26 10.690 0.065 -5.350 1.00 0.00 H new ATOM 0 HB2 GLU A 26 13.135 0.316 -5.785 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.236 1.805 -5.998 1.00 0.00 H new ATOM 0 HG2 GLU A 26 12.921 2.373 -3.574 1.00 0.00 H new ATOM 0 HG3 GLU A 26 14.055 1.044 -3.702 1.00 0.00 H new ATOM 357 N LYS A 27 12.509 -0.399 -2.620 1.00 0.00 N ATOM 358 CA LYS A 27 12.993 -1.417 -1.695 1.00 0.00 C ATOM 359 C LYS A 27 11.839 -2.255 -1.155 1.00 0.00 C ATOM 360 O LYS A 27 11.916 -3.483 -1.115 1.00 0.00 O ATOM 361 CB LYS A 27 13.749 -0.763 -0.536 1.00 0.00 C ATOM 362 CG LYS A 27 12.848 -0.311 0.600 1.00 0.00 C ATOM 363 CD LYS A 27 13.650 0.282 1.746 1.00 0.00 C ATOM 364 CE LYS A 27 14.257 -0.804 2.621 1.00 0.00 C ATOM 365 NZ LYS A 27 14.787 -0.254 3.900 1.00 0.00 N ATOM 0 H LYS A 27 12.757 0.556 -2.363 1.00 0.00 H new ATOM 0 HA LYS A 27 13.671 -2.074 -2.239 1.00 0.00 H new ATOM 0 HB2 LYS A 27 14.483 -1.469 -0.148 1.00 0.00 H new ATOM 0 HB3 LYS A 27 14.303 0.097 -0.914 1.00 0.00 H new ATOM 0 HG2 LYS A 27 12.138 0.429 0.230 1.00 0.00 H new ATOM 0 HG3 LYS A 27 12.265 -1.158 0.962 1.00 0.00 H new ATOM 0 HD2 LYS A 27 14.443 0.915 1.348 1.00 0.00 H new ATOM 0 HD3 LYS A 27 13.006 0.920 2.351 1.00 0.00 H new ATOM 0 HE2 LYS A 27 13.503 -1.561 2.836 1.00 0.00 H new ATOM 0 HE3 LYS A 27 15.061 -1.301 2.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 15.192 -1.025 4.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 15.525 0.450 3.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 14.015 0.198 4.430 1.00 0.00 H new ATOM 379 N HIS A 28 10.769 -1.584 -0.742 1.00 0.00 N ATOM 380 CA HIS A 28 9.597 -2.268 -0.206 1.00 0.00 C ATOM 381 C HIS A 28 9.016 -3.235 -1.233 1.00 0.00 C ATOM 382 O HIS A 28 9.000 -4.448 -1.019 1.00 0.00 O ATOM 383 CB HIS A 28 8.534 -1.252 0.213 1.00 0.00 C ATOM 384 CG HIS A 28 7.353 -1.868 0.897 1.00 0.00 C ATOM 385 ND1 HIS A 28 7.317 -2.126 2.251 1.00 0.00 N ATOM 386 CD2 HIS A 28 6.160 -2.276 0.406 1.00 0.00 C ATOM 387 CE1 HIS A 28 6.154 -2.668 2.563 1.00 0.00 C ATOM 388 NE2 HIS A 28 5.433 -2.770 1.461 1.00 0.00 N ATOM 0 H HIS A 28 10.689 -0.567 -0.768 1.00 0.00 H new ATOM 0 HA HIS A 28 9.908 -2.838 0.669 1.00 0.00 H new ATOM 0 HB2 HIS A 28 8.987 -0.518 0.879 1.00 0.00 H new ATOM 0 HB3 HIS A 28 8.191 -0.712 -0.670 1.00 0.00 H new ATOM 0 HD2 HIS A 28 5.839 -2.223 -0.624 1.00 0.00 H new ATOM 0 HE1 HIS A 28 5.845 -2.976 3.551 1.00 0.00 H new ATOM 0 HE2 HIS A 28 4.490 -3.153 1.403 1.00 0.00 H new ATOM 396 N VAL A 29 8.538 -2.691 -2.348 1.00 0.00 N ATOM 397 CA VAL A 29 7.957 -3.506 -3.408 1.00 0.00 C ATOM 398 C VAL A 29 8.847 -4.700 -3.735 1.00 0.00 C ATOM 399 O VAL A 29 8.362 -5.815 -3.923 1.00 0.00 O ATOM 400 CB VAL A 29 7.731 -2.682 -4.689 1.00 0.00 C ATOM 401 CG1 VAL A 29 7.183 -3.563 -5.801 1.00 0.00 C ATOM 402 CG2 VAL A 29 6.795 -1.514 -4.413 1.00 0.00 C ATOM 0 H VAL A 29 8.542 -1.689 -2.540 1.00 0.00 H new ATOM 0 HA VAL A 29 6.995 -3.864 -3.040 1.00 0.00 H new ATOM 0 HB VAL A 29 8.690 -2.280 -5.016 1.00 0.00 H new ATOM 0 HG11 VAL A 29 7.030 -2.963 -6.698 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.893 -4.362 -6.015 1.00 0.00 H new ATOM 0 HG13 VAL A 29 6.233 -3.996 -5.487 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.646 -0.942 -5.329 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.835 -1.892 -4.062 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.232 -0.870 -3.650 1.00 0.00 H new ATOM 412 N SER A 30 10.152 -4.457 -3.800 1.00 0.00 N ATOM 413 CA SER A 30 11.111 -5.512 -4.107 1.00 0.00 C ATOM 414 C SER A 30 10.822 -6.765 -3.286 1.00 0.00 C ATOM 415 O SER A 30 10.664 -7.856 -3.833 1.00 0.00 O ATOM 416 CB SER A 30 12.537 -5.029 -3.836 1.00 0.00 C ATOM 417 OG SER A 30 13.491 -5.962 -4.312 1.00 0.00 O ATOM 0 H SER A 30 10.569 -3.539 -3.644 1.00 0.00 H new ATOM 0 HA SER A 30 11.014 -5.761 -5.164 1.00 0.00 H new ATOM 0 HB2 SER A 30 12.695 -4.064 -4.318 1.00 0.00 H new ATOM 0 HB3 SER A 30 12.675 -4.877 -2.766 1.00 0.00 H new ATOM 0 HG SER A 30 14.394 -5.629 -4.128 1.00 0.00 H new ATOM 423 N ASN A 31 10.753 -6.600 -1.969 1.00 0.00 N ATOM 424 CA ASN A 31 10.484 -7.717 -1.072 1.00 0.00 C ATOM 425 C ASN A 31 9.007 -8.097 -1.105 1.00 0.00 C ATOM 426 O ASN A 31 8.656 -9.246 -1.376 1.00 0.00 O ATOM 427 CB ASN A 31 10.898 -7.361 0.358 1.00 0.00 C ATOM 428 CG ASN A 31 10.733 -8.526 1.315 1.00 0.00 C ATOM 429 OD1 ASN A 31 10.530 -9.665 0.894 1.00 0.00 O ATOM 430 ND2 ASN A 31 10.819 -8.244 2.609 1.00 0.00 N ATOM 0 H ASN A 31 10.880 -5.703 -1.500 1.00 0.00 H new ATOM 0 HA ASN A 31 11.069 -8.572 -1.411 1.00 0.00 H new ATOM 0 HB2 ASN A 31 11.938 -7.036 0.362 1.00 0.00 H new ATOM 0 HB3 ASN A 31 10.300 -6.520 0.708 1.00 0.00 H new ATOM 0 HD21 ASN A 31 10.716 -8.986 3.301 1.00 0.00 H new ATOM 0 HD22 ASN A 31 10.988 -7.285 2.912 1.00 0.00 H new ATOM 437 N CYS A 32 8.145 -7.125 -0.828 1.00 0.00 N ATOM 438 CA CYS A 32 6.705 -7.356 -0.826 1.00 0.00 C ATOM 439 C CYS A 32 6.205 -7.682 -2.230 1.00 0.00 C ATOM 440 O CYS A 32 5.897 -6.784 -3.014 1.00 0.00 O ATOM 441 CB CYS A 32 5.971 -6.128 -0.283 1.00 0.00 C ATOM 442 SG CYS A 32 4.404 -6.513 0.562 1.00 0.00 S ATOM 0 H CYS A 32 8.419 -6.169 -0.602 1.00 0.00 H new ATOM 0 HA CYS A 32 6.500 -8.209 -0.179 1.00 0.00 H new ATOM 0 HB2 CYS A 32 6.627 -5.604 0.412 1.00 0.00 H new ATOM 0 HB3 CYS A 32 5.769 -5.445 -1.108 1.00 0.00 H new ATOM 447 N ARG A 33 6.126 -8.972 -2.540 1.00 0.00 N ATOM 448 CA ARG A 33 5.664 -9.416 -3.849 1.00 0.00 C ATOM 449 C ARG A 33 4.191 -9.074 -4.051 1.00 0.00 C ATOM 450 O ARG A 33 3.773 -8.709 -5.149 1.00 0.00 O ATOM 451 CB ARG A 33 5.874 -10.924 -4.003 1.00 0.00 C ATOM 452 CG ARG A 33 7.335 -11.341 -3.970 1.00 0.00 C ATOM 453 CD ARG A 33 7.531 -12.730 -4.558 1.00 0.00 C ATOM 454 NE ARG A 33 7.413 -12.729 -6.014 1.00 0.00 N ATOM 455 CZ ARG A 33 7.165 -13.819 -6.731 1.00 0.00 C ATOM 456 NH1 ARG A 33 7.008 -14.991 -6.131 1.00 0.00 N ATOM 457 NH2 ARG A 33 7.072 -13.738 -8.053 1.00 0.00 N ATOM 0 H ARG A 33 6.376 -9.728 -1.902 1.00 0.00 H new ATOM 0 HA ARG A 33 6.247 -8.895 -4.608 1.00 0.00 H new ATOM 0 HB2 ARG A 33 5.339 -11.440 -3.206 1.00 0.00 H new ATOM 0 HB3 ARG A 33 5.433 -11.250 -4.945 1.00 0.00 H new ATOM 0 HG2 ARG A 33 7.933 -10.621 -4.528 1.00 0.00 H new ATOM 0 HG3 ARG A 33 7.696 -11.326 -2.942 1.00 0.00 H new ATOM 0 HD2 ARG A 33 8.513 -13.109 -4.274 1.00 0.00 H new ATOM 0 HD3 ARG A 33 6.792 -13.411 -4.135 1.00 0.00 H new ATOM 0 HE ARG A 33 7.527 -11.843 -6.507 1.00 0.00 H new ATOM 0 HH11 ARG A 33 7.078 -15.057 -5.116 1.00 0.00 H new ATOM 0 HH12 ARG A 33 6.818 -15.826 -6.685 1.00 0.00 H new ATOM 0 HH21 ARG A 33 7.191 -12.838 -8.518 1.00 0.00 H new ATOM 0 HH22 ARG A 33 6.882 -14.576 -8.603 1.00 0.00 H new ATOM 471 N ASN A 34 3.409 -9.195 -2.983 1.00 0.00 N ATOM 472 CA ASN A 34 1.982 -8.900 -3.043 1.00 0.00 C ATOM 473 C ASN A 34 1.743 -7.404 -3.222 1.00 0.00 C ATOM 474 O ASN A 34 0.681 -6.985 -3.684 1.00 0.00 O ATOM 475 CB ASN A 34 1.284 -9.391 -1.773 1.00 0.00 C ATOM 476 CG ASN A 34 1.149 -10.901 -1.734 1.00 0.00 C ATOM 477 OD1 ASN A 34 0.410 -11.489 -2.524 1.00 0.00 O ATOM 478 ND2 ASN A 34 1.863 -11.536 -0.812 1.00 0.00 N ATOM 0 H ASN A 34 3.739 -9.495 -2.066 1.00 0.00 H new ATOM 0 HA ASN A 34 1.565 -9.422 -3.904 1.00 0.00 H new ATOM 0 HB2 ASN A 34 1.846 -9.057 -0.901 1.00 0.00 H new ATOM 0 HB3 ASN A 34 0.294 -8.939 -1.708 1.00 0.00 H new ATOM 0 HD21 ASN A 34 1.812 -12.552 -0.738 1.00 0.00 H new ATOM 0 HD22 ASN A 34 2.462 -11.008 -0.178 1.00 0.00 H new ATOM 485 N CYS A 35 2.737 -6.603 -2.854 1.00 0.00 N ATOM 486 CA CYS A 35 2.636 -5.153 -2.973 1.00 0.00 C ATOM 487 C CYS A 35 2.556 -4.733 -4.437 1.00 0.00 C ATOM 488 O CYS A 35 3.545 -4.794 -5.166 1.00 0.00 O ATOM 489 CB CYS A 35 3.834 -4.480 -2.302 1.00 0.00 C ATOM 490 SG CYS A 35 3.836 -2.677 -2.432 1.00 0.00 S ATOM 0 H CYS A 35 3.622 -6.934 -2.471 1.00 0.00 H new ATOM 0 HA CYS A 35 1.722 -4.835 -2.471 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.850 -4.758 -1.248 1.00 0.00 H new ATOM 0 HB3 CYS A 35 4.751 -4.867 -2.747 1.00 0.00 H new ATOM 0 HG CYS A 35 3.814 -2.156 -1.241 1.00 0.00 H new ATOM 496 N GLU A 36 1.370 -4.307 -4.861 1.00 0.00 N ATOM 497 CA GLU A 36 1.160 -3.879 -6.239 1.00 0.00 C ATOM 498 C GLU A 36 0.470 -2.518 -6.287 1.00 0.00 C ATOM 499 O GLU A 36 0.796 -1.675 -7.123 1.00 0.00 O ATOM 500 CB GLU A 36 0.325 -4.913 -6.996 1.00 0.00 C ATOM 501 CG GLU A 36 1.033 -6.244 -7.189 1.00 0.00 C ATOM 502 CD GLU A 36 1.976 -6.236 -8.377 1.00 0.00 C ATOM 503 OE1 GLU A 36 3.139 -5.814 -8.207 1.00 0.00 O ATOM 504 OE2 GLU A 36 1.552 -6.653 -9.475 1.00 0.00 O ATOM 0 H GLU A 36 0.541 -4.249 -4.270 1.00 0.00 H new ATOM 0 HA GLU A 36 2.135 -3.790 -6.717 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -0.606 -5.082 -6.456 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.058 -4.508 -7.972 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.594 -6.487 -6.286 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.290 -7.030 -7.325 1.00 0.00 H new ATOM 511 N CYS A 37 -0.484 -2.313 -5.386 1.00 0.00 N ATOM 512 CA CYS A 37 -1.221 -1.056 -5.325 1.00 0.00 C ATOM 513 C CYS A 37 -0.884 -0.289 -4.051 1.00 0.00 C ATOM 514 O CYS A 37 -0.827 -0.864 -2.964 1.00 0.00 O ATOM 515 CB CYS A 37 -2.726 -1.320 -5.393 1.00 0.00 C ATOM 516 SG CYS A 37 -3.733 0.176 -5.520 1.00 0.00 S ATOM 0 H CYS A 37 -0.765 -3.001 -4.688 1.00 0.00 H new ATOM 0 HA CYS A 37 -0.927 -0.449 -6.181 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -2.934 -1.959 -6.252 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.027 -1.874 -4.504 1.00 0.00 H new ATOM 0 HG CYS A 37 -4.370 0.175 -6.653 1.00 0.00 H new ATOM 522 N LEU A 38 -0.659 1.013 -4.193 1.00 0.00 N ATOM 523 CA LEU A 38 -0.325 1.861 -3.054 1.00 0.00 C ATOM 524 C LEU A 38 -1.300 3.028 -2.940 1.00 0.00 C ATOM 525 O LEU A 38 -1.509 3.771 -3.899 1.00 0.00 O ATOM 526 CB LEU A 38 1.105 2.386 -3.186 1.00 0.00 C ATOM 527 CG LEU A 38 2.220 1.365 -2.958 1.00 0.00 C ATOM 528 CD1 LEU A 38 3.469 1.755 -3.733 1.00 0.00 C ATOM 529 CD2 LEU A 38 2.529 1.236 -1.474 1.00 0.00 C ATOM 0 H LEU A 38 -0.702 1.504 -5.086 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.401 1.259 -2.149 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.225 2.808 -4.184 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.237 3.203 -2.477 1.00 0.00 H new ATOM 0 HG LEU A 38 1.879 0.396 -3.324 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.251 1.016 -3.558 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.239 1.795 -4.798 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.813 2.734 -3.400 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.325 0.505 -1.330 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.849 2.202 -1.084 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.635 0.908 -0.943 1.00 0.00 H new ATOM 541 N SER A 39 -1.892 3.185 -1.760 1.00 0.00 N ATOM 542 CA SER A 39 -2.846 4.261 -1.521 1.00 0.00 C ATOM 543 C SER A 39 -2.268 5.296 -0.560 1.00 0.00 C ATOM 544 O SER A 39 -1.928 4.980 0.581 1.00 0.00 O ATOM 545 CB SER A 39 -4.152 3.698 -0.956 1.00 0.00 C ATOM 546 OG SER A 39 -5.041 3.332 -1.996 1.00 0.00 O ATOM 0 H SER A 39 -1.728 2.581 -0.955 1.00 0.00 H new ATOM 0 HA SER A 39 -3.051 4.749 -2.474 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.938 2.829 -0.334 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.625 4.441 -0.314 1.00 0.00 H new ATOM 0 HG SER A 39 -5.867 2.974 -1.609 1.00 0.00 H new ATOM 552 N CYS A 40 -2.159 6.534 -1.030 1.00 0.00 N ATOM 553 CA CYS A 40 -1.622 7.617 -0.215 1.00 0.00 C ATOM 554 C CYS A 40 -2.390 7.743 1.097 1.00 0.00 C ATOM 555 O CYS A 40 -3.553 7.351 1.187 1.00 0.00 O ATOM 556 CB CYS A 40 -1.682 8.939 -0.983 1.00 0.00 C ATOM 557 SG CYS A 40 -0.990 10.359 -0.074 1.00 0.00 S ATOM 0 H CYS A 40 -2.436 6.812 -1.972 1.00 0.00 H new ATOM 0 HA CYS A 40 -0.582 7.384 0.014 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -1.143 8.825 -1.923 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -2.720 9.154 -1.235 1.00 0.00 H new ATOM 562 N ILE A 41 -1.731 8.293 2.112 1.00 0.00 N ATOM 563 CA ILE A 41 -2.352 8.472 3.418 1.00 0.00 C ATOM 564 C ILE A 41 -2.483 9.950 3.767 1.00 0.00 C ATOM 565 O ILE A 41 -3.410 10.353 4.470 1.00 0.00 O ATOM 566 CB ILE A 41 -1.548 7.764 4.525 1.00 0.00 C ATOM 567 CG1 ILE A 41 -0.077 8.182 4.464 1.00 0.00 C ATOM 568 CG2 ILE A 41 -1.681 6.255 4.394 1.00 0.00 C ATOM 569 CD1 ILE A 41 0.737 7.702 5.645 1.00 0.00 C ATOM 0 H ILE A 41 -0.767 8.622 2.054 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.345 8.026 3.359 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.951 8.062 5.493 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.365 7.793 3.546 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.019 9.269 4.411 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -1.107 5.769 5.183 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.730 5.973 4.482 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.301 5.939 3.422 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.769 8.035 5.535 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.320 8.112 6.565 1.00 0.00 H new ATOM 0 HD13 ILE A 41 0.709 6.613 5.687 1.00 0.00 H new ATOM 581 N ASP A 42 -1.550 10.755 3.269 1.00 0.00 N ATOM 582 CA ASP A 42 -1.563 12.191 3.525 1.00 0.00 C ATOM 583 C ASP A 42 -2.872 12.815 3.054 1.00 0.00 C ATOM 584 O ASP A 42 -3.402 13.727 3.690 1.00 0.00 O ATOM 585 CB ASP A 42 -0.381 12.865 2.826 1.00 0.00 C ATOM 586 CG ASP A 42 0.954 12.433 3.400 1.00 0.00 C ATOM 587 OD1 ASP A 42 1.149 11.215 3.598 1.00 0.00 O ATOM 588 OD2 ASP A 42 1.805 13.312 3.650 1.00 0.00 O ATOM 0 H ASP A 42 -0.776 10.438 2.686 1.00 0.00 H new ATOM 0 HA ASP A 42 -1.475 12.345 4.601 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -0.409 12.629 1.762 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -0.479 13.947 2.915 1.00 0.00 H new ATOM 593 N CYS A 43 -3.389 12.319 1.935 1.00 0.00 N ATOM 594 CA CYS A 43 -4.636 12.829 1.376 1.00 0.00 C ATOM 595 C CYS A 43 -5.585 11.685 1.030 1.00 0.00 C ATOM 596 O CYS A 43 -6.778 11.743 1.324 1.00 0.00 O ATOM 597 CB CYS A 43 -4.355 13.668 0.128 1.00 0.00 C ATOM 598 SG CYS A 43 -3.782 12.700 -1.305 1.00 0.00 S ATOM 0 H CYS A 43 -2.964 11.564 1.397 1.00 0.00 H new ATOM 0 HA CYS A 43 -5.112 13.458 2.129 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -5.263 14.204 -0.149 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -3.603 14.419 0.370 1.00 0.00 H new ATOM 603 N GLY A 44 -5.044 10.644 0.404 1.00 0.00 N ATOM 604 CA GLY A 44 -5.856 9.501 0.028 1.00 0.00 C ATOM 605 C GLY A 44 -6.092 9.424 -1.467 1.00 0.00 C ATOM 606 O GLY A 44 -6.885 10.187 -2.019 1.00 0.00 O ATOM 0 H GLY A 44 -4.059 10.572 0.151 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -5.367 8.586 0.363 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -6.816 9.556 0.542 1.00 0.00 H new ATOM 610 N LYS A 45 -5.400 8.501 -2.127 1.00 0.00 N ATOM 611 CA LYS A 45 -5.537 8.326 -3.568 1.00 0.00 C ATOM 612 C LYS A 45 -4.999 6.967 -4.005 1.00 0.00 C ATOM 613 O LYS A 45 -3.854 6.620 -3.714 1.00 0.00 O ATOM 614 CB LYS A 45 -4.798 9.442 -4.310 1.00 0.00 C ATOM 615 CG LYS A 45 -5.417 9.793 -5.652 1.00 0.00 C ATOM 616 CD LYS A 45 -6.466 10.884 -5.514 1.00 0.00 C ATOM 617 CE LYS A 45 -5.854 12.268 -5.665 1.00 0.00 C ATOM 618 NZ LYS A 45 -6.594 13.291 -4.875 1.00 0.00 N ATOM 0 H LYS A 45 -4.738 7.862 -1.686 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.597 8.373 -3.816 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.780 10.334 -3.683 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.762 9.140 -4.465 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.637 10.122 -6.339 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.871 8.903 -6.088 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.240 10.743 -6.268 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.950 10.803 -4.541 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.813 12.242 -5.342 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.854 12.552 -6.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.146 14.221 -5.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.581 13.334 -5.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.573 13.034 -3.868 1.00 0.00 H new ATOM 632 N ASP A 46 -5.830 6.204 -4.706 1.00 0.00 N ATOM 633 CA ASP A 46 -5.437 4.885 -5.185 1.00 0.00 C ATOM 634 C ASP A 46 -4.414 4.998 -6.311 1.00 0.00 C ATOM 635 O ASP A 46 -4.624 5.723 -7.284 1.00 0.00 O ATOM 636 CB ASP A 46 -6.662 4.108 -5.670 1.00 0.00 C ATOM 637 CG ASP A 46 -7.465 3.521 -4.525 1.00 0.00 C ATOM 638 OD1 ASP A 46 -8.065 4.304 -3.760 1.00 0.00 O ATOM 639 OD2 ASP A 46 -7.492 2.279 -4.395 1.00 0.00 O ATOM 0 H ASP A 46 -6.781 6.477 -4.955 1.00 0.00 H new ATOM 0 HA ASP A 46 -4.980 4.347 -4.355 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -7.300 4.770 -6.256 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -6.340 3.305 -6.334 1.00 0.00 H new ATOM 644 N PHE A 47 -3.305 4.279 -6.171 1.00 0.00 N ATOM 645 CA PHE A 47 -2.248 4.301 -7.176 1.00 0.00 C ATOM 646 C PHE A 47 -1.780 2.886 -7.504 1.00 0.00 C ATOM 647 O PHE A 47 -1.088 2.250 -6.709 1.00 0.00 O ATOM 648 CB PHE A 47 -1.066 5.140 -6.685 1.00 0.00 C ATOM 649 CG PHE A 47 -1.384 6.601 -6.549 1.00 0.00 C ATOM 650 CD1 PHE A 47 -1.783 7.342 -7.650 1.00 0.00 C ATOM 651 CD2 PHE A 47 -1.283 7.234 -5.321 1.00 0.00 C ATOM 652 CE1 PHE A 47 -2.076 8.687 -7.528 1.00 0.00 C ATOM 653 CE2 PHE A 47 -1.576 8.579 -5.193 1.00 0.00 C ATOM 654 CZ PHE A 47 -1.972 9.307 -6.298 1.00 0.00 C ATOM 0 H PHE A 47 -3.115 3.674 -5.372 1.00 0.00 H new ATOM 0 HA PHE A 47 -2.652 4.751 -8.083 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -0.735 4.757 -5.720 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -0.233 5.021 -7.378 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -1.866 6.863 -8.614 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -0.972 6.670 -4.454 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -2.386 9.253 -8.394 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.495 9.060 -4.230 1.00 0.00 H new ATOM 0 HZ PHE A 47 -2.200 10.358 -6.201 1.00 0.00 H new ATOM 664 N TRP A 48 -2.164 2.400 -8.679 1.00 0.00 N ATOM 665 CA TRP A 48 -1.785 1.060 -9.112 1.00 0.00 C ATOM 666 C TRP A 48 -0.489 1.094 -9.915 1.00 0.00 C ATOM 667 O TRP A 48 -0.059 2.151 -10.372 1.00 0.00 O ATOM 668 CB TRP A 48 -2.903 0.438 -9.951 1.00 0.00 C ATOM 669 CG TRP A 48 -4.154 0.172 -9.170 1.00 0.00 C ATOM 670 CD1 TRP A 48 -5.172 1.050 -8.930 1.00 0.00 C ATOM 671 CD2 TRP A 48 -4.518 -1.053 -8.525 1.00 0.00 C ATOM 672 NE1 TRP A 48 -6.147 0.445 -8.175 1.00 0.00 N ATOM 673 CE2 TRP A 48 -5.770 -0.846 -7.914 1.00 0.00 C ATOM 674 CE3 TRP A 48 -3.909 -2.305 -8.405 1.00 0.00 C ATOM 675 CZ2 TRP A 48 -6.421 -1.845 -7.194 1.00 0.00 C ATOM 676 CZ3 TRP A 48 -4.556 -3.295 -7.691 1.00 0.00 C ATOM 677 CH2 TRP A 48 -5.802 -3.061 -7.093 1.00 0.00 C ATOM 0 H TRP A 48 -2.737 2.913 -9.348 1.00 0.00 H new ATOM 0 HA TRP A 48 -1.624 0.449 -8.223 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -3.137 1.103 -10.782 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -2.546 -0.498 -10.382 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -5.206 2.070 -9.282 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -7.011 0.885 -7.860 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -2.949 -2.495 -8.862 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -7.381 -1.666 -6.732 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -4.094 -4.266 -7.592 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -6.283 -3.856 -6.542 1.00 0.00 H new ATOM 688 N GLY A 49 0.129 -0.072 -10.082 1.00 0.00 N ATOM 689 CA GLY A 49 1.370 -0.152 -10.830 1.00 0.00 C ATOM 690 C GLY A 49 2.320 0.983 -10.501 1.00 0.00 C ATOM 691 O GLY A 49 2.529 1.307 -9.332 1.00 0.00 O ATOM 0 H GLY A 49 -0.207 -0.961 -9.713 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.858 -1.103 -10.617 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.149 -0.139 -11.897 1.00 0.00 H new ATOM 695 N ASP A 50 2.897 1.587 -11.534 1.00 0.00 N ATOM 696 CA ASP A 50 3.831 2.692 -11.349 1.00 0.00 C ATOM 697 C ASP A 50 3.111 4.033 -11.448 1.00 0.00 C ATOM 698 O ASP A 50 3.592 4.960 -12.101 1.00 0.00 O ATOM 699 CB ASP A 50 4.950 2.621 -12.390 1.00 0.00 C ATOM 700 CG ASP A 50 4.509 3.128 -13.749 1.00 0.00 C ATOM 701 OD1 ASP A 50 3.368 2.822 -14.154 1.00 0.00 O ATOM 702 OD2 ASP A 50 5.305 3.829 -14.408 1.00 0.00 O ATOM 0 H ASP A 50 2.735 1.330 -12.508 1.00 0.00 H new ATOM 0 HA ASP A 50 4.266 2.606 -10.353 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.801 3.208 -12.045 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.291 1.590 -12.483 1.00 0.00 H new ATOM 707 N ASP A 51 1.958 4.129 -10.797 1.00 0.00 N ATOM 708 CA ASP A 51 1.171 5.357 -10.811 1.00 0.00 C ATOM 709 C ASP A 51 1.549 6.257 -9.638 1.00 0.00 C ATOM 710 O ASP A 51 1.702 7.468 -9.796 1.00 0.00 O ATOM 711 CB ASP A 51 -0.322 5.032 -10.760 1.00 0.00 C ATOM 712 CG ASP A 51 -1.189 6.259 -10.969 1.00 0.00 C ATOM 713 OD1 ASP A 51 -0.657 7.290 -11.431 1.00 0.00 O ATOM 714 OD2 ASP A 51 -2.399 6.187 -10.671 1.00 0.00 O ATOM 0 H ASP A 51 1.547 3.371 -10.252 1.00 0.00 H new ATOM 0 HA ASP A 51 1.387 5.888 -11.738 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -0.556 4.291 -11.524 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -0.560 4.582 -9.796 1.00 0.00 H new ATOM 719 N TYR A 52 1.696 5.657 -8.462 1.00 0.00 N ATOM 720 CA TYR A 52 2.052 6.405 -7.262 1.00 0.00 C ATOM 721 C TYR A 52 3.171 7.400 -7.552 1.00 0.00 C ATOM 722 O TYR A 52 3.099 8.566 -7.162 1.00 0.00 O ATOM 723 CB TYR A 52 2.480 5.448 -6.148 1.00 0.00 C ATOM 724 CG TYR A 52 3.719 4.647 -6.481 1.00 0.00 C ATOM 725 CD1 TYR A 52 3.626 3.438 -7.159 1.00 0.00 C ATOM 726 CD2 TYR A 52 4.981 5.099 -6.117 1.00 0.00 C ATOM 727 CE1 TYR A 52 4.754 2.702 -7.465 1.00 0.00 C ATOM 728 CE2 TYR A 52 6.115 4.370 -6.420 1.00 0.00 C ATOM 729 CZ TYR A 52 5.996 3.172 -7.094 1.00 0.00 C ATOM 730 OH TYR A 52 7.123 2.443 -7.396 1.00 0.00 O ATOM 0 H TYR A 52 1.574 4.655 -8.314 1.00 0.00 H new ATOM 0 HA TYR A 52 1.173 6.961 -6.936 1.00 0.00 H new ATOM 0 HB2 TYR A 52 2.661 6.020 -5.238 1.00 0.00 H new ATOM 0 HB3 TYR A 52 1.660 4.762 -5.935 1.00 0.00 H new ATOM 0 HD1 TYR A 52 2.655 3.067 -7.452 1.00 0.00 H new ATOM 0 HD2 TYR A 52 5.077 6.036 -5.588 1.00 0.00 H new ATOM 0 HE1 TYR A 52 4.664 1.764 -7.992 1.00 0.00 H new ATOM 0 HE2 TYR A 52 7.089 4.736 -6.131 1.00 0.00 H new ATOM 0 HH TYR A 52 7.916 2.915 -7.066 1.00 0.00 H new ATOM 740 N LYS A 53 4.207 6.931 -8.239 1.00 0.00 N ATOM 741 CA LYS A 53 5.343 7.778 -8.585 1.00 0.00 C ATOM 742 C LYS A 53 4.879 9.176 -8.979 1.00 0.00 C ATOM 743 O LYS A 53 5.254 10.165 -8.349 1.00 0.00 O ATOM 744 CB LYS A 53 6.141 7.152 -9.731 1.00 0.00 C ATOM 745 CG LYS A 53 6.894 5.894 -9.332 1.00 0.00 C ATOM 746 CD LYS A 53 7.710 5.343 -10.488 1.00 0.00 C ATOM 747 CE LYS A 53 8.897 4.529 -9.995 1.00 0.00 C ATOM 748 NZ LYS A 53 9.924 5.386 -9.342 1.00 0.00 N ATOM 0 H LYS A 53 4.284 5.968 -8.567 1.00 0.00 H new ATOM 0 HA LYS A 53 5.983 7.861 -7.707 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.461 6.914 -10.549 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.852 7.886 -10.111 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.553 6.114 -8.492 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.187 5.138 -8.992 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.076 4.719 -11.117 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.064 6.166 -11.109 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.551 3.774 -9.289 1.00 0.00 H new ATOM 0 HE3 LYS A 53 9.347 3.998 -10.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 10.839 4.892 -9.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.014 6.280 -9.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.638 5.586 -8.362 1.00 0.00 H new ATOM 762 N SER A 54 4.060 9.251 -10.024 1.00 0.00 N ATOM 763 CA SER A 54 3.547 10.529 -10.503 1.00 0.00 C ATOM 764 C SER A 54 3.042 11.381 -9.342 1.00 0.00 C ATOM 765 O SER A 54 3.216 12.600 -9.330 1.00 0.00 O ATOM 766 CB SER A 54 2.421 10.304 -11.513 1.00 0.00 C ATOM 767 OG SER A 54 1.901 11.537 -11.981 1.00 0.00 O ATOM 0 H SER A 54 3.738 8.442 -10.555 1.00 0.00 H new ATOM 0 HA SER A 54 4.363 11.060 -10.992 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.794 9.720 -12.355 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.624 9.722 -11.050 1.00 0.00 H new ATOM 0 HG SER A 54 1.184 11.366 -12.626 1.00 0.00 H new ATOM 773 N HIS A 55 2.414 10.730 -8.368 1.00 0.00 N ATOM 774 CA HIS A 55 1.883 11.426 -7.201 1.00 0.00 C ATOM 775 C HIS A 55 3.003 12.106 -6.418 1.00 0.00 C ATOM 776 O HIS A 55 3.775 11.447 -5.721 1.00 0.00 O ATOM 777 CB HIS A 55 1.131 10.450 -6.296 1.00 0.00 C ATOM 778 CG HIS A 55 0.318 11.123 -5.234 1.00 0.00 C ATOM 779 ND1 HIS A 55 -0.515 12.192 -5.487 1.00 0.00 N ATOM 780 CD2 HIS A 55 0.213 10.872 -3.908 1.00 0.00 C ATOM 781 CE1 HIS A 55 -1.096 12.571 -4.363 1.00 0.00 C ATOM 782 NE2 HIS A 55 -0.672 11.785 -3.390 1.00 0.00 N ATOM 0 H HIS A 55 2.260 9.722 -8.364 1.00 0.00 H new ATOM 0 HA HIS A 55 1.190 12.192 -7.550 1.00 0.00 H new ATOM 0 HB2 HIS A 55 0.474 9.832 -6.908 1.00 0.00 H new ATOM 0 HB3 HIS A 55 1.849 9.780 -5.823 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -0.660 12.623 -6.400 1.00 0.00 H new ATOM 0 HD2 HIS A 55 0.729 10.098 -3.360 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -1.798 13.385 -4.258 1.00 0.00 H new ATOM 790 N VAL A 56 3.085 13.427 -6.537 1.00 0.00 N ATOM 791 CA VAL A 56 4.109 14.195 -5.840 1.00 0.00 C ATOM 792 C VAL A 56 3.484 15.221 -4.902 1.00 0.00 C ATOM 793 O VAL A 56 3.922 15.387 -3.764 1.00 0.00 O ATOM 794 CB VAL A 56 5.038 14.921 -6.831 1.00 0.00 C ATOM 795 CG1 VAL A 56 6.428 15.088 -6.237 1.00 0.00 C ATOM 796 CG2 VAL A 56 5.100 14.168 -8.152 1.00 0.00 C ATOM 0 H VAL A 56 2.454 13.988 -7.110 1.00 0.00 H new ATOM 0 HA VAL A 56 4.695 13.484 -5.257 1.00 0.00 H new ATOM 0 HB VAL A 56 4.631 15.914 -7.023 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.070 15.603 -6.952 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.364 15.673 -5.320 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.848 14.107 -6.013 1.00 0.00 H new ATOM 0 HG21 VAL A 56 5.761 14.695 -8.840 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.483 13.162 -7.980 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.101 14.107 -8.583 1.00 0.00 H new ATOM 806 N LYS A 57 2.455 15.908 -5.387 1.00 0.00 N ATOM 807 CA LYS A 57 1.766 16.918 -4.592 1.00 0.00 C ATOM 808 C LYS A 57 0.345 16.473 -4.261 1.00 0.00 C ATOM 809 O LYS A 57 -0.494 16.326 -5.150 1.00 0.00 O ATOM 810 CB LYS A 57 1.732 18.251 -5.343 1.00 0.00 C ATOM 811 CG LYS A 57 2.929 19.141 -5.056 1.00 0.00 C ATOM 812 CD LYS A 57 4.065 18.878 -6.030 1.00 0.00 C ATOM 813 CE LYS A 57 5.297 19.701 -5.685 1.00 0.00 C ATOM 814 NZ LYS A 57 5.990 19.180 -4.475 1.00 0.00 N ATOM 0 H LYS A 57 2.080 15.784 -6.327 1.00 0.00 H new ATOM 0 HA LYS A 57 2.314 17.047 -3.659 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.685 18.054 -6.414 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.820 18.785 -5.077 1.00 0.00 H new ATOM 0 HG2 LYS A 57 2.629 20.187 -5.119 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.275 18.969 -4.037 1.00 0.00 H new ATOM 0 HD2 LYS A 57 4.319 17.818 -6.017 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.740 19.115 -7.043 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.986 19.695 -6.529 1.00 0.00 H new ATOM 0 HE3 LYS A 57 5.006 20.738 -5.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.869 19.714 -4.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.370 19.288 -3.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.215 18.174 -4.610 1.00 0.00 H new ATOM 828 N CYS A 58 0.081 16.261 -2.976 1.00 0.00 N ATOM 829 CA CYS A 58 -1.238 15.834 -2.526 1.00 0.00 C ATOM 830 C CYS A 58 -2.316 16.800 -3.008 1.00 0.00 C ATOM 831 O CYS A 58 -3.366 16.381 -3.496 1.00 0.00 O ATOM 832 CB CYS A 58 -1.272 15.734 -1.000 1.00 0.00 C ATOM 833 SG CYS A 58 -0.386 14.290 -0.329 1.00 0.00 S ATOM 0 H CYS A 58 0.764 16.378 -2.228 1.00 0.00 H new ATOM 0 HA CYS A 58 -1.439 14.851 -2.952 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -0.839 16.641 -0.577 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -2.311 15.694 -0.672 1.00 0.00 H new ATOM 838 N ILE A 59 -2.049 18.094 -2.866 1.00 0.00 N ATOM 839 CA ILE A 59 -2.995 19.119 -3.288 1.00 0.00 C ATOM 840 C ILE A 59 -2.786 19.492 -4.752 1.00 0.00 C ATOM 841 O ILE A 59 -1.756 20.058 -5.118 1.00 0.00 O ATOM 842 CB ILE A 59 -2.872 20.388 -2.424 1.00 0.00 C ATOM 843 CG1 ILE A 59 -1.413 20.620 -2.025 1.00 0.00 C ATOM 844 CG2 ILE A 59 -3.754 20.276 -1.189 1.00 0.00 C ATOM 845 CD1 ILE A 59 -1.151 22.004 -1.473 1.00 0.00 C ATOM 0 H ILE A 59 -1.186 18.457 -2.462 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.993 18.698 -3.162 1.00 0.00 H new ATOM 0 HB ILE A 59 -3.209 21.243 -3.010 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -1.127 19.879 -1.278 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.777 20.458 -2.895 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -3.656 21.180 -0.589 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -4.793 20.154 -1.494 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.445 19.413 -0.598 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.097 22.098 -1.211 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -1.406 22.750 -2.226 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.761 22.163 -0.584 1.00 0.00 H new ATOM 857 N SER A 60 -3.771 19.172 -5.585 1.00 0.00 N ATOM 858 CA SER A 60 -3.695 19.471 -7.010 1.00 0.00 C ATOM 859 C SER A 60 -5.075 19.395 -7.656 1.00 0.00 C ATOM 860 O SER A 60 -6.073 19.138 -6.983 1.00 0.00 O ATOM 861 CB SER A 60 -2.739 18.500 -7.706 1.00 0.00 C ATOM 862 OG SER A 60 -1.446 18.555 -7.129 1.00 0.00 O ATOM 0 H SER A 60 -4.631 18.706 -5.297 1.00 0.00 H new ATOM 0 HA SER A 60 -3.316 20.487 -7.123 1.00 0.00 H new ATOM 0 HB2 SER A 60 -3.130 17.485 -7.633 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.678 18.743 -8.767 1.00 0.00 H new ATOM 0 HG SER A 60 -1.358 19.376 -6.601 1.00 0.00 H new ATOM 868 N GLU A 61 -5.122 19.621 -8.965 1.00 0.00 N ATOM 869 CA GLU A 61 -6.379 19.579 -9.702 1.00 0.00 C ATOM 870 C GLU A 61 -6.456 18.331 -10.576 1.00 0.00 C ATOM 871 O GLU A 61 -5.636 18.135 -11.472 1.00 0.00 O ATOM 872 CB GLU A 61 -6.530 20.832 -10.568 1.00 0.00 C ATOM 873 CG GLU A 61 -5.441 20.981 -11.617 1.00 0.00 C ATOM 874 CD GLU A 61 -5.476 22.331 -12.307 1.00 0.00 C ATOM 875 OE1 GLU A 61 -6.179 22.455 -13.332 1.00 0.00 O ATOM 876 OE2 GLU A 61 -4.802 23.264 -11.822 1.00 0.00 O ATOM 0 H GLU A 61 -4.305 19.835 -9.536 1.00 0.00 H new ATOM 0 HA GLU A 61 -7.194 19.545 -8.979 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -7.500 20.806 -11.064 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.525 21.711 -9.924 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -4.467 20.843 -11.147 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -5.550 20.193 -12.362 1.00 0.00 H new ATOM 883 N GLY A 62 -7.449 17.488 -10.307 1.00 0.00 N ATOM 884 CA GLY A 62 -7.615 16.268 -11.076 1.00 0.00 C ATOM 885 C GLY A 62 -8.367 15.198 -10.311 1.00 0.00 C ATOM 886 O GLY A 62 -7.846 14.631 -9.351 1.00 0.00 O ATOM 0 H GLY A 62 -8.141 17.628 -9.571 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -8.149 16.494 -11.999 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.635 15.886 -11.361 1.00 0.00 H new ATOM 890 N GLN A 63 -9.596 14.922 -10.735 1.00 0.00 N ATOM 891 CA GLN A 63 -10.422 13.914 -10.080 1.00 0.00 C ATOM 892 C GLN A 63 -10.446 12.621 -10.889 1.00 0.00 C ATOM 893 O GLN A 63 -10.700 12.634 -12.093 1.00 0.00 O ATOM 894 CB GLN A 63 -11.846 14.437 -9.889 1.00 0.00 C ATOM 895 CG GLN A 63 -12.503 14.899 -11.180 1.00 0.00 C ATOM 896 CD GLN A 63 -13.933 15.359 -10.975 1.00 0.00 C ATOM 897 OE1 GLN A 63 -14.292 16.484 -11.322 1.00 0.00 O ATOM 898 NE2 GLN A 63 -14.760 14.488 -10.408 1.00 0.00 N ATOM 0 H GLN A 63 -10.042 15.382 -11.529 1.00 0.00 H new ATOM 0 HA GLN A 63 -9.987 13.702 -9.103 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -12.456 13.652 -9.442 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -11.828 15.267 -9.183 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -11.921 15.715 -11.608 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -12.488 14.083 -11.903 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -14.421 13.565 -10.136 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -15.734 14.742 -10.245 1.00 0.00 H new ATOM 907 N LYS A 64 -10.179 11.505 -10.219 1.00 0.00 N ATOM 908 CA LYS A 64 -10.170 10.203 -10.874 1.00 0.00 C ATOM 909 C LYS A 64 -11.063 9.214 -10.130 1.00 0.00 C ATOM 910 O LYS A 64 -11.045 9.150 -8.901 1.00 0.00 O ATOM 911 CB LYS A 64 -8.742 9.658 -10.953 1.00 0.00 C ATOM 912 CG LYS A 64 -8.569 8.553 -11.981 1.00 0.00 C ATOM 913 CD LYS A 64 -8.102 9.104 -13.318 1.00 0.00 C ATOM 914 CE LYS A 64 -9.271 9.345 -14.261 1.00 0.00 C ATOM 915 NZ LYS A 64 -8.941 10.349 -15.309 1.00 0.00 N ATOM 0 H LYS A 64 -9.966 11.477 -9.222 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.560 10.329 -11.884 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.063 10.476 -11.193 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -8.452 9.280 -9.973 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.847 7.824 -11.615 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -9.514 8.027 -12.113 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -7.563 10.038 -13.159 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -7.402 8.405 -13.776 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -9.555 8.405 -14.735 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -10.134 9.687 -13.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -9.763 10.485 -15.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -8.695 11.253 -14.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -8.134 10.011 -15.871 1.00 0.00 H new ATOM 929 N TYR A 65 -11.840 8.444 -10.883 1.00 0.00 N ATOM 930 CA TYR A 65 -12.740 7.459 -10.295 1.00 0.00 C ATOM 931 C TYR A 65 -11.962 6.421 -9.492 1.00 0.00 C ATOM 932 O TYR A 65 -12.212 6.224 -8.303 1.00 0.00 O ATOM 933 CB TYR A 65 -13.557 6.767 -11.387 1.00 0.00 C ATOM 934 CG TYR A 65 -14.924 6.314 -10.926 1.00 0.00 C ATOM 935 CD1 TYR A 65 -15.912 7.236 -10.604 1.00 0.00 C ATOM 936 CD2 TYR A 65 -15.228 4.963 -10.813 1.00 0.00 C ATOM 937 CE1 TYR A 65 -17.161 6.827 -10.181 1.00 0.00 C ATOM 938 CE2 TYR A 65 -16.475 4.544 -10.392 1.00 0.00 C ATOM 939 CZ TYR A 65 -17.438 5.480 -10.077 1.00 0.00 C ATOM 940 OH TYR A 65 -18.683 5.067 -9.658 1.00 0.00 O ATOM 0 H TYR A 65 -11.865 8.483 -11.902 1.00 0.00 H new ATOM 0 HA TYR A 65 -13.418 7.982 -9.620 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -13.675 7.450 -12.229 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -13.001 5.903 -11.752 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -15.699 8.292 -10.686 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -14.476 4.228 -11.059 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -17.917 7.558 -9.933 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -16.695 3.490 -10.310 1.00 0.00 H new ATOM 0 HH TYR A 65 -18.714 4.088 -9.640 1.00 0.00 H new ATOM 950 N GLY A 66 -11.015 5.760 -10.151 1.00 0.00 N ATOM 951 CA GLY A 66 -10.213 4.751 -9.484 1.00 0.00 C ATOM 952 C GLY A 66 -9.937 3.552 -10.369 1.00 0.00 C ATOM 953 O GLY A 66 -9.017 3.573 -11.186 1.00 0.00 O ATOM 0 H GLY A 66 -10.789 5.905 -11.135 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.267 5.192 -9.170 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -10.727 4.422 -8.581 1.00 0.00 H new ATOM 957 N GLY A 67 -10.736 2.502 -10.206 1.00 0.00 N ATOM 958 CA GLY A 67 -10.556 1.302 -11.002 1.00 0.00 C ATOM 959 C GLY A 67 -11.338 0.122 -10.459 1.00 0.00 C ATOM 960 O GLY A 67 -12.420 0.291 -9.897 1.00 0.00 O ATOM 0 H GLY A 67 -11.505 2.461 -9.537 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -10.868 1.500 -12.027 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -9.497 1.047 -11.035 1.00 0.00 H new ATOM 964 N LYS A 68 -10.790 -1.077 -10.626 1.00 0.00 N ATOM 965 CA LYS A 68 -11.442 -2.290 -10.149 1.00 0.00 C ATOM 966 C LYS A 68 -10.905 -2.694 -8.780 1.00 0.00 C ATOM 967 O LYS A 68 -9.907 -2.151 -8.309 1.00 0.00 O ATOM 968 CB LYS A 68 -11.235 -3.431 -11.147 1.00 0.00 C ATOM 969 CG LYS A 68 -9.821 -3.987 -11.151 1.00 0.00 C ATOM 970 CD LYS A 68 -9.749 -5.323 -11.870 1.00 0.00 C ATOM 971 CE LYS A 68 -8.323 -5.849 -11.927 1.00 0.00 C ATOM 972 NZ LYS A 68 -8.191 -6.995 -12.869 1.00 0.00 N ATOM 0 H LYS A 68 -9.895 -1.234 -11.089 1.00 0.00 H new ATOM 0 HA LYS A 68 -12.509 -2.086 -10.056 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -11.932 -4.236 -10.915 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -11.480 -3.076 -12.148 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -9.151 -3.276 -11.635 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -9.473 -4.106 -10.125 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -10.385 -6.047 -11.360 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -10.139 -5.214 -12.882 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -7.652 -5.047 -12.235 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -8.011 -6.161 -10.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -7.205 -7.324 -12.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -8.812 -7.771 -12.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -8.464 -6.691 -13.825 1.00 0.00 H new ATOM 986 N GLY A 69 -11.574 -3.652 -8.146 1.00 0.00 N ATOM 987 CA GLY A 69 -11.148 -4.113 -6.837 1.00 0.00 C ATOM 988 C GLY A 69 -12.301 -4.632 -6.001 1.00 0.00 C ATOM 989 O GLY A 69 -13.320 -5.067 -6.539 1.00 0.00 O ATOM 0 H GLY A 69 -12.403 -4.117 -8.515 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.406 -4.903 -6.957 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -10.660 -3.294 -6.308 1.00 0.00 H new ATOM 993 N TYR A 70 -12.141 -4.588 -4.683 1.00 0.00 N ATOM 994 CA TYR A 70 -13.176 -5.061 -3.772 1.00 0.00 C ATOM 995 C TYR A 70 -14.565 -4.694 -4.286 1.00 0.00 C ATOM 996 O TYR A 70 -14.811 -3.555 -4.681 1.00 0.00 O ATOM 997 CB TYR A 70 -12.964 -4.471 -2.376 1.00 0.00 C ATOM 998 CG TYR A 70 -11.821 -5.105 -1.618 1.00 0.00 C ATOM 999 CD1 TYR A 70 -12.027 -6.221 -0.816 1.00 0.00 C ATOM 1000 CD2 TYR A 70 -10.533 -4.589 -1.703 1.00 0.00 C ATOM 1001 CE1 TYR A 70 -10.985 -6.803 -0.121 1.00 0.00 C ATOM 1002 CE2 TYR A 70 -9.485 -5.166 -1.012 1.00 0.00 C ATOM 1003 CZ TYR A 70 -9.716 -6.272 -0.222 1.00 0.00 C ATOM 1004 OH TYR A 70 -8.675 -6.850 0.468 1.00 0.00 O ATOM 0 H TYR A 70 -11.305 -4.230 -4.222 1.00 0.00 H new ATOM 0 HA TYR A 70 -13.105 -6.147 -3.715 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -12.779 -3.401 -2.467 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -13.881 -4.588 -1.798 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -13.019 -6.640 -0.735 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -10.348 -3.722 -2.320 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -11.163 -7.670 0.498 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -8.490 -4.753 -1.090 1.00 0.00 H new ATOM 0 HH TYR A 70 -7.848 -6.356 0.287 1.00 0.00 H new ATOM 1014 N GLU A 71 -15.469 -5.668 -4.276 1.00 0.00 N ATOM 1015 CA GLU A 71 -16.833 -5.448 -4.742 1.00 0.00 C ATOM 1016 C GLU A 71 -17.652 -4.701 -3.693 1.00 0.00 C ATOM 1017 O GLU A 71 -17.512 -4.941 -2.494 1.00 0.00 O ATOM 1018 CB GLU A 71 -17.504 -6.783 -5.072 1.00 0.00 C ATOM 1019 CG GLU A 71 -17.643 -7.708 -3.875 1.00 0.00 C ATOM 1020 CD GLU A 71 -16.444 -8.619 -3.699 1.00 0.00 C ATOM 1021 OE1 GLU A 71 -15.456 -8.186 -3.070 1.00 0.00 O ATOM 1022 OE2 GLU A 71 -16.494 -9.766 -4.191 1.00 0.00 O ATOM 0 H GLU A 71 -15.282 -6.616 -3.951 1.00 0.00 H new ATOM 0 HA GLU A 71 -16.788 -4.839 -5.645 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -18.493 -6.590 -5.488 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -16.926 -7.289 -5.846 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -17.776 -7.111 -2.973 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -18.541 -8.314 -3.992 1.00 0.00 H new ATOM 1029 N ALA A 72 -18.506 -3.793 -4.155 1.00 0.00 N ATOM 1030 CA ALA A 72 -19.348 -3.011 -3.258 1.00 0.00 C ATOM 1031 C ALA A 72 -20.793 -2.986 -3.745 1.00 0.00 C ATOM 1032 O ALA A 72 -21.101 -3.475 -4.832 1.00 0.00 O ATOM 1033 CB ALA A 72 -18.808 -1.595 -3.127 1.00 0.00 C ATOM 0 H ALA A 72 -18.633 -3.581 -5.145 1.00 0.00 H new ATOM 0 HA ALA A 72 -19.331 -3.486 -2.277 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -19.447 -1.023 -2.454 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -17.795 -1.628 -2.726 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -18.795 -1.119 -4.107 1.00 0.00 H new ATOM 1039 N LYS A 73 -21.676 -2.413 -2.934 1.00 0.00 N ATOM 1040 CA LYS A 73 -23.089 -2.322 -3.281 1.00 0.00 C ATOM 1041 C LYS A 73 -23.265 -1.994 -4.761 1.00 0.00 C ATOM 1042 O LYS A 73 -22.471 -1.254 -5.341 1.00 0.00 O ATOM 1043 CB LYS A 73 -23.778 -1.257 -2.426 1.00 0.00 C ATOM 1044 CG LYS A 73 -25.294 -1.350 -2.445 1.00 0.00 C ATOM 1045 CD LYS A 73 -25.794 -2.491 -1.574 1.00 0.00 C ATOM 1046 CE LYS A 73 -25.987 -2.048 -0.132 1.00 0.00 C ATOM 1047 NZ LYS A 73 -27.149 -1.128 0.015 1.00 0.00 N ATOM 0 H LYS A 73 -21.437 -2.004 -2.031 1.00 0.00 H new ATOM 0 HA LYS A 73 -23.549 -3.290 -3.084 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -23.430 -1.347 -1.397 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -23.478 -0.270 -2.778 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -25.721 -0.410 -2.096 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -25.638 -1.495 -3.469 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -26.738 -2.866 -1.970 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -25.083 -3.316 -1.610 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -26.135 -2.924 0.500 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -25.083 -1.550 0.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -27.448 -1.103 1.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -26.875 -0.172 -0.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -27.936 -1.466 -0.574 1.00 0.00 H new ATOM 1061 N SER A 74 -24.312 -2.549 -5.364 1.00 0.00 N ATOM 1062 CA SER A 74 -24.591 -2.317 -6.777 1.00 0.00 C ATOM 1063 C SER A 74 -26.084 -2.438 -7.062 1.00 0.00 C ATOM 1064 O SER A 74 -26.857 -2.873 -6.210 1.00 0.00 O ATOM 1065 CB SER A 74 -23.812 -3.309 -7.642 1.00 0.00 C ATOM 1066 OG SER A 74 -23.885 -2.958 -9.013 1.00 0.00 O ATOM 0 H SER A 74 -24.980 -3.162 -4.897 1.00 0.00 H new ATOM 0 HA SER A 74 -24.273 -1.304 -7.024 1.00 0.00 H new ATOM 0 HB2 SER A 74 -22.770 -3.332 -7.325 1.00 0.00 H new ATOM 0 HB3 SER A 74 -24.212 -4.313 -7.499 1.00 0.00 H new ATOM 0 HG SER A 74 -23.378 -3.607 -9.544 1.00 0.00 H new ATOM 1072 N GLY A 75 -26.483 -2.049 -8.270 1.00 0.00 N ATOM 1073 CA GLY A 75 -27.882 -2.122 -8.648 1.00 0.00 C ATOM 1074 C GLY A 75 -28.433 -3.532 -8.565 1.00 0.00 C ATOM 1075 O GLY A 75 -27.927 -4.376 -7.826 1.00 0.00 O ATOM 0 H GLY A 75 -25.862 -1.685 -8.993 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -28.465 -1.469 -7.999 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -28.000 -1.748 -9.665 1.00 0.00 H new ATOM 1079 N PRO A 76 -29.497 -3.802 -9.336 1.00 0.00 N ATOM 1080 CA PRO A 76 -30.140 -5.119 -9.364 1.00 0.00 C ATOM 1081 C PRO A 76 -29.266 -6.178 -10.028 1.00 0.00 C ATOM 1082 O PRO A 76 -28.163 -5.886 -10.489 1.00 0.00 O ATOM 1083 CB PRO A 76 -31.407 -4.877 -10.189 1.00 0.00 C ATOM 1084 CG PRO A 76 -31.080 -3.707 -11.050 1.00 0.00 C ATOM 1085 CD PRO A 76 -30.152 -2.844 -10.242 1.00 0.00 C ATOM 0 HA PRO A 76 -30.333 -5.499 -8.361 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -31.662 -5.751 -10.789 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -32.264 -4.670 -9.548 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -30.607 -4.026 -11.978 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -31.982 -3.160 -11.324 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -29.428 -2.330 -10.875 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -30.695 -2.076 -9.691 1.00 0.00 H new ATOM 1093 N SER A 77 -29.767 -7.408 -10.072 1.00 0.00 N ATOM 1094 CA SER A 77 -29.030 -8.512 -10.677 1.00 0.00 C ATOM 1095 C SER A 77 -29.902 -9.264 -11.677 1.00 0.00 C ATOM 1096 O SER A 77 -31.090 -8.976 -11.822 1.00 0.00 O ATOM 1097 CB SER A 77 -28.529 -9.472 -9.596 1.00 0.00 C ATOM 1098 OG SER A 77 -29.598 -9.931 -8.787 1.00 0.00 O ATOM 0 H SER A 77 -30.680 -7.666 -9.696 1.00 0.00 H new ATOM 0 HA SER A 77 -28.174 -8.097 -11.209 1.00 0.00 H new ATOM 0 HB2 SER A 77 -28.031 -10.322 -10.062 1.00 0.00 H new ATOM 0 HB3 SER A 77 -27.788 -8.970 -8.974 1.00 0.00 H new ATOM 0 HG SER A 77 -29.252 -10.544 -8.105 1.00 0.00 H new ATOM 1104 N SER A 78 -29.303 -10.231 -12.365 1.00 0.00 N ATOM 1105 CA SER A 78 -30.022 -11.023 -13.355 1.00 0.00 C ATOM 1106 C SER A 78 -30.175 -12.468 -12.889 1.00 0.00 C ATOM 1107 O SER A 78 -29.662 -12.849 -11.837 1.00 0.00 O ATOM 1108 CB SER A 78 -29.293 -10.984 -14.700 1.00 0.00 C ATOM 1109 OG SER A 78 -29.298 -9.676 -15.245 1.00 0.00 O ATOM 0 H SER A 78 -28.321 -10.485 -12.255 1.00 0.00 H new ATOM 0 HA SER A 78 -31.015 -10.591 -13.476 1.00 0.00 H new ATOM 0 HB2 SER A 78 -28.265 -11.323 -14.570 1.00 0.00 H new ATOM 0 HB3 SER A 78 -29.771 -11.673 -15.396 1.00 0.00 H new ATOM 0 HG SER A 78 -28.825 -9.677 -16.103 1.00 0.00 H new ATOM 1115 N GLY A 79 -30.884 -13.267 -13.680 1.00 0.00 N ATOM 1116 CA GLY A 79 -31.092 -14.661 -13.332 1.00 0.00 C ATOM 1117 C GLY A 79 -30.366 -15.607 -14.268 1.00 0.00 C ATOM 1118 O GLY A 79 -29.255 -15.293 -14.692 1.00 0.00 O ATOM 0 H GLY A 79 -31.318 -12.974 -14.555 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -30.751 -14.832 -12.311 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -32.159 -14.882 -13.353 1.00 0.00 H new TER 1122 GLY A 79 HETATM 1123 ZN ZN A 201 4.058 -4.619 1.901 1.00 0.00 ZN HETATM 1124 ZN ZN A 401 -1.437 12.369 -1.229 1.00 0.00 ZN