USER MOD reduce.3.24.130724 H: found=0, std=0, add=401, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 404 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 Set 1.1: A 63 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 72 ASN : amide:sc= 0 X(o=0,f=0.063) USER MOD Set 2.1: A 48 MET CE :methyl 177:sc= -0.0938 (180deg=-0.179) USER MOD Set 2.2: A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.0209 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -165:sc= 1.22 (180deg=1.05) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.0149 X(o=-0.015,f=-0.015) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl -173:sc= 0 (180deg=-0.0376) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 19 6.957 -5.622 19.853 1.00 0.00 N ATOM 2 CA GLY A 19 6.884 -4.244 20.380 1.00 0.00 C ATOM 3 C GLY A 19 5.441 -3.817 20.592 1.00 0.00 C ATOM 4 O GLY A 19 4.712 -3.606 19.623 1.00 0.00 O ATOM 0 HA2 GLY A 19 7.427 -4.182 21.323 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.371 -3.559 19.686 1.00 0.00 H new ATOM 10 N ASP A 20 5.007 -3.707 21.849 1.00 0.00 N ATOM 11 CA ASP A 20 3.662 -3.239 22.230 1.00 0.00 C ATOM 12 C ASP A 20 3.430 -1.740 21.920 1.00 0.00 C ATOM 13 O ASP A 20 4.371 -0.994 21.623 1.00 0.00 O ATOM 14 CB ASP A 20 3.436 -3.519 23.727 1.00 0.00 C ATOM 15 CG ASP A 20 3.421 -5.026 24.035 1.00 0.00 C ATOM 16 OD1 ASP A 20 2.372 -5.678 23.807 1.00 0.00 O ATOM 17 OD2 ASP A 20 4.452 -5.561 24.507 1.00 0.00 O ATOM 0 H ASP A 20 5.589 -3.945 22.652 1.00 0.00 H new ATOM 0 HA ASP A 20 2.939 -3.789 21.627 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.222 -3.038 24.309 1.00 0.00 H new ATOM 0 HB3 ASP A 20 2.491 -3.075 24.040 1.00 0.00 H new ATOM 22 N LYS A 21 2.167 -1.290 22.015 1.00 0.00 N ATOM 23 CA LYS A 21 1.699 0.089 21.740 1.00 0.00 C ATOM 24 C LYS A 21 2.107 0.619 20.346 1.00 0.00 C ATOM 25 O LYS A 21 2.368 1.807 20.152 1.00 0.00 O ATOM 26 CB LYS A 21 2.089 0.995 22.930 1.00 0.00 C ATOM 27 CG LYS A 21 1.184 2.233 23.077 1.00 0.00 C ATOM 28 CD LYS A 21 1.533 3.084 24.308 1.00 0.00 C ATOM 29 CE LYS A 21 1.149 2.384 25.619 1.00 0.00 C ATOM 30 NZ LYS A 21 1.432 3.238 26.801 1.00 0.00 N ATOM 0 H LYS A 21 1.404 -1.904 22.299 1.00 0.00 H new ATOM 0 HA LYS A 21 0.611 0.091 21.670 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.047 0.412 23.850 1.00 0.00 H new ATOM 0 HB3 LYS A 21 3.122 1.321 22.806 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.268 2.847 22.181 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.145 1.911 23.146 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.602 3.297 24.310 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.017 4.042 24.244 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.089 2.130 25.599 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.700 1.447 25.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 1.160 2.732 27.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 2.448 3.460 26.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.887 4.121 26.730 1.00 0.00 H new ATOM 44 N GLU A 22 2.169 -0.281 19.363 1.00 0.00 N ATOM 45 CA GLU A 22 2.419 0.018 17.944 1.00 0.00 C ATOM 46 C GLU A 22 1.301 0.858 17.284 1.00 0.00 C ATOM 47 O GLU A 22 0.185 0.969 17.801 1.00 0.00 O ATOM 48 CB GLU A 22 2.640 -1.304 17.178 1.00 0.00 C ATOM 49 CG GLU A 22 1.400 -2.212 17.135 1.00 0.00 C ATOM 50 CD GLU A 22 1.694 -3.535 16.401 1.00 0.00 C ATOM 51 OE1 GLU A 22 1.762 -3.536 15.148 1.00 0.00 O ATOM 52 OE2 GLU A 22 1.834 -4.590 17.068 1.00 0.00 O ATOM 0 H GLU A 22 2.042 -1.278 19.536 1.00 0.00 H new ATOM 0 HA GLU A 22 3.316 0.636 17.895 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.946 -1.075 16.157 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.462 -1.849 17.642 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.068 -2.424 18.151 1.00 0.00 H new ATOM 0 HG3 GLU A 22 0.583 -1.691 16.635 1.00 0.00 H new ATOM 59 N GLU A 23 1.587 1.418 16.106 1.00 0.00 N ATOM 60 CA GLU A 23 0.632 2.125 15.235 1.00 0.00 C ATOM 61 C GLU A 23 1.001 1.976 13.743 1.00 0.00 C ATOM 62 O GLU A 23 2.111 1.555 13.407 1.00 0.00 O ATOM 63 CB GLU A 23 0.523 3.608 15.654 1.00 0.00 C ATOM 64 CG GLU A 23 1.835 4.404 15.532 1.00 0.00 C ATOM 65 CD GLU A 23 1.717 5.869 16.017 1.00 0.00 C ATOM 66 OE1 GLU A 23 0.863 6.187 16.882 1.00 0.00 O ATOM 67 OE2 GLU A 23 2.526 6.717 15.568 1.00 0.00 O ATOM 0 H GLU A 23 2.528 1.393 15.713 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.348 1.665 15.360 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.238 4.091 15.041 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.178 3.656 16.687 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.611 3.900 16.109 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.158 4.399 14.491 1.00 0.00 H new ATOM 74 N CYS A 24 0.075 2.336 12.846 1.00 0.00 N ATOM 75 CA CYS A 24 0.229 2.223 11.385 1.00 0.00 C ATOM 76 C CYS A 24 0.002 3.557 10.631 1.00 0.00 C ATOM 77 O CYS A 24 0.131 3.619 9.406 1.00 0.00 O ATOM 78 CB CYS A 24 -0.718 1.116 10.895 1.00 0.00 C ATOM 79 SG CYS A 24 -0.314 0.398 9.279 1.00 0.00 S ATOM 0 H CYS A 24 -0.827 2.725 13.121 1.00 0.00 H new ATOM 0 HA CYS A 24 1.264 1.963 11.163 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -0.727 0.316 11.636 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -1.729 1.521 10.850 1.00 0.00 H new ATOM 84 N THR A 25 -0.342 4.632 11.347 1.00 0.00 N ATOM 85 CA THR A 25 -0.563 5.986 10.805 1.00 0.00 C ATOM 86 C THR A 25 0.735 6.660 10.333 1.00 0.00 C ATOM 87 O THR A 25 1.841 6.299 10.748 1.00 0.00 O ATOM 88 CB THR A 25 -1.246 6.877 11.860 1.00 0.00 C ATOM 89 OG1 THR A 25 -0.590 6.771 13.108 1.00 0.00 O ATOM 90 CG2 THR A 25 -2.705 6.474 12.078 1.00 0.00 C ATOM 0 H THR A 25 -0.480 4.587 12.357 1.00 0.00 H new ATOM 0 HA THR A 25 -1.207 5.870 9.934 1.00 0.00 H new ATOM 0 HB THR A 25 -1.194 7.898 11.481 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.038 7.346 13.763 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.154 7.124 12.829 1.00 0.00 H new ATOM 0 HG22 THR A 25 -3.253 6.570 11.141 1.00 0.00 H new ATOM 0 HG23 THR A 25 -2.750 5.440 12.420 1.00 0.00 H new ATOM 98 N VAL A 26 0.593 7.673 9.471 1.00 0.00 N ATOM 99 CA VAL A 26 1.671 8.516 8.915 1.00 0.00 C ATOM 100 C VAL A 26 1.233 9.988 8.817 1.00 0.00 C ATOM 101 O VAL A 26 0.025 10.254 8.754 1.00 0.00 O ATOM 102 CB VAL A 26 2.109 8.027 7.512 1.00 0.00 C ATOM 103 CG1 VAL A 26 2.902 6.724 7.595 1.00 0.00 C ATOM 104 CG2 VAL A 26 0.951 7.837 6.523 1.00 0.00 C ATOM 0 H VAL A 26 -0.325 7.946 9.120 1.00 0.00 H new ATOM 0 HA VAL A 26 2.515 8.435 9.599 1.00 0.00 H new ATOM 0 HB VAL A 26 2.738 8.830 7.129 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.193 6.411 6.592 1.00 0.00 H new ATOM 0 HG12 VAL A 26 3.795 6.880 8.200 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.284 5.951 8.052 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.343 7.494 5.566 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.254 7.097 6.916 1.00 0.00 H new ATOM 0 HG23 VAL A 26 0.432 8.785 6.383 1.00 0.00 H new ATOM 114 N PRO A 27 2.169 10.957 8.761 1.00 0.00 N ATOM 115 CA PRO A 27 1.839 12.349 8.450 1.00 0.00 C ATOM 116 C PRO A 27 1.423 12.514 6.977 1.00 0.00 C ATOM 117 O PRO A 27 1.795 11.715 6.114 1.00 0.00 O ATOM 118 CB PRO A 27 3.111 13.140 8.776 1.00 0.00 C ATOM 119 CG PRO A 27 4.231 12.129 8.526 1.00 0.00 C ATOM 120 CD PRO A 27 3.605 10.810 8.974 1.00 0.00 C ATOM 0 HA PRO A 27 0.986 12.705 9.028 1.00 0.00 H new ATOM 0 HB2 PRO A 27 3.213 14.018 8.138 1.00 0.00 H new ATOM 0 HB3 PRO A 27 3.111 13.493 9.807 1.00 0.00 H new ATOM 0 HG2 PRO A 27 4.524 12.101 7.476 1.00 0.00 H new ATOM 0 HG3 PRO A 27 5.126 12.367 9.100 1.00 0.00 H new ATOM 0 HD2 PRO A 27 4.002 9.974 8.398 1.00 0.00 H new ATOM 0 HD3 PRO A 27 3.826 10.609 10.022 1.00 0.00 H new ATOM 128 N ILE A 28 0.702 13.596 6.668 1.00 0.00 N ATOM 129 CA ILE A 28 0.248 13.932 5.302 1.00 0.00 C ATOM 130 C ILE A 28 1.405 14.086 4.294 1.00 0.00 C ATOM 131 O ILE A 28 1.243 13.800 3.107 1.00 0.00 O ATOM 132 CB ILE A 28 -0.671 15.178 5.342 1.00 0.00 C ATOM 133 CG1 ILE A 28 -1.326 15.519 3.985 1.00 0.00 C ATOM 134 CG2 ILE A 28 0.066 16.430 5.851 1.00 0.00 C ATOM 135 CD1 ILE A 28 -2.241 14.413 3.443 1.00 0.00 C ATOM 0 H ILE A 28 0.409 14.279 7.367 1.00 0.00 H new ATOM 0 HA ILE A 28 -0.332 13.086 4.932 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.460 14.899 6.040 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -1.905 16.436 4.092 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.542 15.720 3.254 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.620 17.277 5.861 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.435 16.250 6.861 1.00 0.00 H new ATOM 0 HG23 ILE A 28 0.906 16.651 5.192 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.664 14.726 2.488 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -1.663 13.499 3.302 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.047 14.227 4.153 1.00 0.00 H new ATOM 147 N GLY A 29 2.590 14.483 4.769 1.00 0.00 N ATOM 148 CA GLY A 29 3.801 14.676 3.963 1.00 0.00 C ATOM 149 C GLY A 29 4.634 13.410 3.706 1.00 0.00 C ATOM 150 O GLY A 29 5.699 13.508 3.092 1.00 0.00 O ATOM 0 H GLY A 29 2.738 14.686 5.758 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.513 15.101 3.002 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.434 15.411 4.460 1.00 0.00 H new ATOM 154 N TRP A 30 4.199 12.229 4.172 1.00 0.00 N ATOM 155 CA TRP A 30 4.856 10.944 3.896 1.00 0.00 C ATOM 156 C TRP A 30 4.817 10.582 2.393 1.00 0.00 C ATOM 157 O TRP A 30 3.969 11.072 1.645 1.00 0.00 O ATOM 158 CB TRP A 30 4.190 9.863 4.761 1.00 0.00 C ATOM 159 CG TRP A 30 4.866 8.527 4.739 1.00 0.00 C ATOM 160 CD1 TRP A 30 4.576 7.524 3.883 1.00 0.00 C ATOM 161 CD2 TRP A 30 5.968 8.042 5.564 1.00 0.00 C ATOM 162 NE1 TRP A 30 5.458 6.477 4.077 1.00 0.00 N ATOM 163 CE2 TRP A 30 6.343 6.745 5.100 1.00 0.00 C ATOM 164 CE3 TRP A 30 6.706 8.579 6.642 1.00 0.00 C ATOM 165 CZ2 TRP A 30 7.413 6.029 5.658 1.00 0.00 C ATOM 166 CZ3 TRP A 30 7.770 7.860 7.222 1.00 0.00 C ATOM 167 CH2 TRP A 30 8.127 6.592 6.730 1.00 0.00 C ATOM 0 H TRP A 30 3.370 12.140 4.759 1.00 0.00 H new ATOM 0 HA TRP A 30 5.913 11.018 4.154 1.00 0.00 H new ATOM 0 HB2 TRP A 30 4.152 10.217 5.791 1.00 0.00 H new ATOM 0 HB3 TRP A 30 3.160 9.737 4.428 1.00 0.00 H new ATOM 0 HD1 TRP A 30 3.777 7.537 3.157 1.00 0.00 H new ATOM 0 HE1 TRP A 30 5.454 5.615 3.532 1.00 0.00 H new ATOM 0 HE3 TRP A 30 6.451 9.555 7.027 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 7.684 5.059 5.269 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 8.316 8.286 8.051 1.00 0.00 H new ATOM 0 HH2 TRP A 30 8.949 6.051 7.175 1.00 0.00 H new ATOM 178 N SER A 31 5.724 9.707 1.942 1.00 0.00 N ATOM 179 CA SER A 31 5.768 9.181 0.569 1.00 0.00 C ATOM 180 C SER A 31 4.728 8.068 0.355 1.00 0.00 C ATOM 181 O SER A 31 4.941 6.914 0.735 1.00 0.00 O ATOM 182 CB SER A 31 7.183 8.690 0.240 1.00 0.00 C ATOM 183 OG SER A 31 7.293 8.398 -1.144 1.00 0.00 O ATOM 0 H SER A 31 6.466 9.335 2.535 1.00 0.00 H new ATOM 0 HA SER A 31 5.512 9.990 -0.115 1.00 0.00 H new ATOM 0 HB2 SER A 31 7.913 9.451 0.517 1.00 0.00 H new ATOM 0 HB3 SER A 31 7.412 7.800 0.826 1.00 0.00 H new ATOM 0 HG SER A 31 8.201 8.087 -1.342 1.00 0.00 H new ATOM 189 N GLU A 32 3.576 8.411 -0.226 1.00 0.00 N ATOM 190 CA GLU A 32 2.457 7.501 -0.529 1.00 0.00 C ATOM 191 C GLU A 32 2.294 7.228 -2.047 1.00 0.00 C ATOM 192 O GLU A 32 2.748 8.030 -2.874 1.00 0.00 O ATOM 193 CB GLU A 32 1.144 8.016 0.108 1.00 0.00 C ATOM 194 CG GLU A 32 0.950 9.536 0.247 1.00 0.00 C ATOM 195 CD GLU A 32 1.050 10.303 -1.087 1.00 0.00 C ATOM 196 OE1 GLU A 32 0.036 10.377 -1.824 1.00 0.00 O ATOM 197 OE2 GLU A 32 2.127 10.879 -1.380 1.00 0.00 O ATOM 0 H GLU A 32 3.384 9.371 -0.512 1.00 0.00 H new ATOM 0 HA GLU A 32 2.699 6.538 -0.079 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.313 7.627 -0.481 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.062 7.578 1.103 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -0.026 9.729 0.693 1.00 0.00 H new ATOM 0 HG3 GLU A 32 1.699 9.926 0.936 1.00 0.00 H new ATOM 204 N PRO A 33 1.658 6.106 -2.445 1.00 0.00 N ATOM 205 CA PRO A 33 1.410 5.776 -3.852 1.00 0.00 C ATOM 206 C PRO A 33 0.274 6.610 -4.474 1.00 0.00 C ATOM 207 O PRO A 33 -0.526 7.231 -3.770 1.00 0.00 O ATOM 208 CB PRO A 33 1.061 4.287 -3.842 1.00 0.00 C ATOM 209 CG PRO A 33 0.374 4.100 -2.491 1.00 0.00 C ATOM 210 CD PRO A 33 1.177 5.029 -1.585 1.00 0.00 C ATOM 0 HA PRO A 33 2.281 6.003 -4.467 1.00 0.00 H new ATOM 0 HB2 PRO A 33 0.402 4.022 -4.669 1.00 0.00 H new ATOM 0 HB3 PRO A 33 1.951 3.664 -3.931 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -0.679 4.379 -2.528 1.00 0.00 H new ATOM 0 HG3 PRO A 33 0.418 3.065 -2.153 1.00 0.00 H new ATOM 0 HD2 PRO A 33 0.557 5.420 -0.778 1.00 0.00 H new ATOM 0 HD3 PRO A 33 2.008 4.499 -1.120 1.00 0.00 H new ATOM 218 N VAL A 34 0.169 6.583 -5.809 1.00 0.00 N ATOM 219 CA VAL A 34 -0.847 7.316 -6.588 1.00 0.00 C ATOM 220 C VAL A 34 -1.956 6.393 -7.107 1.00 0.00 C ATOM 221 O VAL A 34 -1.695 5.315 -7.649 1.00 0.00 O ATOM 222 CB VAL A 34 -0.189 8.148 -7.706 1.00 0.00 C ATOM 223 CG1 VAL A 34 0.380 7.310 -8.856 1.00 0.00 C ATOM 224 CG2 VAL A 34 -1.153 9.189 -8.284 1.00 0.00 C ATOM 0 H VAL A 34 0.802 6.039 -6.395 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.340 8.018 -5.915 1.00 0.00 H new ATOM 0 HB VAL A 34 0.647 8.645 -7.215 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.825 7.969 -9.601 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.141 6.632 -8.470 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.421 6.732 -9.316 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.650 9.754 -9.069 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.025 8.685 -8.701 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.470 9.869 -7.494 1.00 0.00 H new ATOM 234 N LYS A 35 -3.211 6.823 -6.933 1.00 0.00 N ATOM 235 CA LYS A 35 -4.421 6.155 -7.441 1.00 0.00 C ATOM 236 C LYS A 35 -4.546 6.340 -8.960 1.00 0.00 C ATOM 237 O LYS A 35 -4.269 7.422 -9.479 1.00 0.00 O ATOM 238 CB LYS A 35 -5.640 6.764 -6.719 1.00 0.00 C ATOM 239 CG LYS A 35 -6.906 5.889 -6.765 1.00 0.00 C ATOM 240 CD LYS A 35 -8.130 6.718 -6.336 1.00 0.00 C ATOM 241 CE LYS A 35 -9.300 5.883 -5.797 1.00 0.00 C ATOM 242 NZ LYS A 35 -10.052 5.184 -6.873 1.00 0.00 N ATOM 0 H LYS A 35 -3.423 7.677 -6.416 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.366 5.084 -7.246 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.377 6.947 -5.677 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.865 7.732 -7.165 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -7.054 5.500 -7.773 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -6.789 5.029 -6.106 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -7.822 7.429 -5.569 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -8.477 7.300 -7.189 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -8.919 5.147 -5.089 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -9.981 6.532 -5.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -10.963 4.850 -6.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -10.221 5.841 -7.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -9.498 4.372 -7.212 1.00 0.00 H new ATOM 256 N GLY A 36 -5.041 5.326 -9.669 1.00 0.00 N ATOM 257 CA GLY A 36 -5.332 5.396 -11.110 1.00 0.00 C ATOM 258 C GLY A 36 -6.667 6.065 -11.492 1.00 0.00 C ATOM 259 O GLY A 36 -6.905 6.296 -12.678 1.00 0.00 O ATOM 0 H GLY A 36 -5.256 4.418 -9.257 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.523 5.938 -11.599 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -5.326 4.383 -11.512 1.00 0.00 H new ATOM 263 N LEU A 37 -7.541 6.371 -10.516 1.00 0.00 N ATOM 264 CA LEU A 37 -8.922 6.879 -10.693 1.00 0.00 C ATOM 265 C LEU A 37 -9.760 6.043 -11.695 1.00 0.00 C ATOM 266 O LEU A 37 -10.583 6.555 -12.458 1.00 0.00 O ATOM 267 CB LEU A 37 -8.922 8.399 -10.986 1.00 0.00 C ATOM 268 CG LEU A 37 -8.633 9.291 -9.762 1.00 0.00 C ATOM 269 CD1 LEU A 37 -7.144 9.462 -9.471 1.00 0.00 C ATOM 270 CD2 LEU A 37 -9.220 10.681 -9.994 1.00 0.00 C ATOM 0 H LEU A 37 -7.295 6.267 -9.532 1.00 0.00 H new ATOM 0 HA LEU A 37 -9.441 6.746 -9.744 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -8.177 8.607 -11.754 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -9.892 8.676 -11.399 1.00 0.00 H new ATOM 0 HG LEU A 37 -9.089 8.789 -8.908 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -7.015 10.101 -8.597 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.697 8.487 -9.277 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -6.655 9.920 -10.331 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -9.016 11.311 -9.129 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -8.767 11.124 -10.881 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -10.297 10.601 -10.139 1.00 0.00 H new ATOM 282 N CYS A 38 -9.530 4.730 -11.686 1.00 0.00 N ATOM 283 CA CYS A 38 -10.139 3.754 -12.600 1.00 0.00 C ATOM 284 C CYS A 38 -11.585 3.383 -12.208 1.00 0.00 C ATOM 285 O CYS A 38 -12.028 3.632 -11.081 1.00 0.00 O ATOM 286 CB CYS A 38 -9.279 2.479 -12.611 1.00 0.00 C ATOM 287 SG CYS A 38 -7.488 2.736 -12.715 1.00 0.00 S ATOM 0 H CYS A 38 -8.891 4.297 -11.019 1.00 0.00 H new ATOM 0 HA CYS A 38 -10.181 4.214 -13.587 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -9.493 1.911 -11.706 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -9.588 1.862 -13.455 1.00 0.00 H new ATOM 292 N LYS A 39 -12.297 2.691 -13.112 1.00 0.00 N ATOM 293 CA LYS A 39 -13.562 1.988 -12.813 1.00 0.00 C ATOM 294 C LYS A 39 -13.374 0.764 -11.899 1.00 0.00 C ATOM 295 O LYS A 39 -14.233 0.478 -11.064 1.00 0.00 O ATOM 296 CB LYS A 39 -14.289 1.624 -14.125 1.00 0.00 C ATOM 297 CG LYS A 39 -13.546 0.618 -15.025 1.00 0.00 C ATOM 298 CD LYS A 39 -14.299 0.398 -16.347 1.00 0.00 C ATOM 299 CE LYS A 39 -13.538 -0.522 -17.314 1.00 0.00 C ATOM 300 NZ LYS A 39 -13.501 -1.936 -16.853 1.00 0.00 N ATOM 0 H LYS A 39 -12.009 2.601 -14.086 1.00 0.00 H new ATOM 0 HA LYS A 39 -14.190 2.675 -12.246 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -15.268 1.213 -13.878 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -14.461 2.538 -14.693 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -12.540 0.984 -15.232 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -13.438 -0.332 -14.502 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -15.278 -0.033 -16.136 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -14.471 1.361 -16.827 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -14.007 -0.477 -18.297 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -12.518 -0.156 -17.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -12.976 -2.512 -17.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -13.029 -1.987 -15.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -14.472 -2.299 -16.767 1.00 0.00 H new ATOM 314 N ALA A 40 -12.252 0.051 -12.049 1.00 0.00 N ATOM 315 CA ALA A 40 -11.869 -1.100 -11.229 1.00 0.00 C ATOM 316 C ALA A 40 -11.284 -0.686 -9.862 1.00 0.00 C ATOM 317 O ALA A 40 -10.802 0.437 -9.687 1.00 0.00 O ATOM 318 CB ALA A 40 -10.857 -1.933 -12.028 1.00 0.00 C ATOM 0 H ALA A 40 -11.563 0.268 -12.770 1.00 0.00 H new ATOM 0 HA ALA A 40 -12.760 -1.687 -11.005 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -10.554 -2.799 -11.440 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -11.316 -2.269 -12.958 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.982 -1.324 -12.254 1.00 0.00 H new ATOM 324 N ARG A 41 -11.280 -1.620 -8.901 1.00 0.00 N ATOM 325 CA ARG A 41 -10.778 -1.446 -7.524 1.00 0.00 C ATOM 326 C ARG A 41 -9.875 -2.616 -7.115 1.00 0.00 C ATOM 327 O ARG A 41 -10.284 -3.529 -6.397 1.00 0.00 O ATOM 328 CB ARG A 41 -11.948 -1.249 -6.547 1.00 0.00 C ATOM 329 CG ARG A 41 -12.820 -0.034 -6.878 1.00 0.00 C ATOM 330 CD ARG A 41 -13.906 0.121 -5.811 1.00 0.00 C ATOM 331 NE ARG A 41 -14.522 1.454 -5.874 1.00 0.00 N ATOM 332 CZ ARG A 41 -15.526 1.863 -6.632 1.00 0.00 C ATOM 333 NH1 ARG A 41 -16.124 1.073 -7.479 1.00 0.00 N ATOM 334 NH2 ARG A 41 -15.952 3.090 -6.556 1.00 0.00 N ATOM 0 H ARG A 41 -11.641 -2.559 -9.066 1.00 0.00 H new ATOM 0 HA ARG A 41 -10.165 -0.546 -7.487 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -12.569 -2.145 -6.551 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -11.553 -1.139 -5.537 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -12.207 0.866 -6.921 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -13.276 -0.157 -7.861 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -14.670 -0.643 -5.952 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -13.475 -0.038 -4.823 1.00 0.00 H new ATOM 0 HE ARG A 41 -14.123 2.156 -5.251 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -15.821 0.104 -7.574 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -16.895 1.424 -8.047 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -15.511 3.744 -5.909 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -16.727 3.398 -7.144 1.00 0.00 H new ATOM 348 N PHE A 42 -8.640 -2.585 -7.609 1.00 0.00 N ATOM 349 CA PHE A 42 -7.577 -3.542 -7.260 1.00 0.00 C ATOM 350 C PHE A 42 -7.064 -3.313 -5.828 1.00 0.00 C ATOM 351 O PHE A 42 -7.295 -2.241 -5.261 1.00 0.00 O ATOM 352 CB PHE A 42 -6.414 -3.421 -8.260 1.00 0.00 C ATOM 353 CG PHE A 42 -6.790 -3.438 -9.734 1.00 0.00 C ATOM 354 CD1 PHE A 42 -7.729 -4.364 -10.232 1.00 0.00 C ATOM 355 CD2 PHE A 42 -6.183 -2.524 -10.619 1.00 0.00 C ATOM 356 CE1 PHE A 42 -8.075 -4.358 -11.596 1.00 0.00 C ATOM 357 CE2 PHE A 42 -6.535 -2.512 -11.980 1.00 0.00 C ATOM 358 CZ PHE A 42 -7.484 -3.426 -12.467 1.00 0.00 C ATOM 0 H PHE A 42 -8.337 -1.879 -8.280 1.00 0.00 H new ATOM 0 HA PHE A 42 -7.997 -4.546 -7.310 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -5.880 -2.493 -8.054 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -5.717 -4.238 -8.075 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -8.184 -5.080 -9.564 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -5.443 -1.829 -10.249 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -8.795 -5.069 -11.974 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -6.076 -1.801 -12.651 1.00 0.00 H new ATOM 0 HZ PHE A 42 -7.760 -3.413 -13.511 1.00 0.00 H new ATOM 368 N THR A 43 -6.309 -4.273 -5.282 1.00 0.00 N ATOM 369 CA THR A 43 -5.773 -4.268 -3.905 1.00 0.00 C ATOM 370 C THR A 43 -4.268 -4.542 -3.911 1.00 0.00 C ATOM 371 O THR A 43 -3.832 -5.587 -4.402 1.00 0.00 O ATOM 372 CB THR A 43 -6.480 -5.317 -3.024 1.00 0.00 C ATOM 373 OG1 THR A 43 -7.885 -5.200 -3.136 1.00 0.00 O ATOM 374 CG2 THR A 43 -6.142 -5.142 -1.544 1.00 0.00 C ATOM 0 H THR A 43 -6.041 -5.109 -5.802 1.00 0.00 H new ATOM 0 HA THR A 43 -5.959 -3.279 -3.487 1.00 0.00 H new ATOM 0 HB THR A 43 -6.133 -6.289 -3.376 1.00 0.00 H new ATOM 0 HG1 THR A 43 -8.316 -5.875 -2.571 1.00 0.00 H new ATOM 0 HG21 THR A 43 -6.661 -5.902 -0.960 1.00 0.00 H new ATOM 0 HG22 THR A 43 -5.066 -5.247 -1.402 1.00 0.00 H new ATOM 0 HG23 THR A 43 -6.457 -4.152 -1.213 1.00 0.00 H new ATOM 382 N ARG A 44 -3.466 -3.614 -3.381 1.00 0.00 N ATOM 383 CA ARG A 44 -1.997 -3.665 -3.214 1.00 0.00 C ATOM 384 C ARG A 44 -1.619 -3.426 -1.749 1.00 0.00 C ATOM 385 O ARG A 44 -2.464 -3.047 -0.939 1.00 0.00 O ATOM 386 CB ARG A 44 -1.330 -2.591 -4.095 1.00 0.00 C ATOM 387 CG ARG A 44 -1.453 -2.767 -5.613 1.00 0.00 C ATOM 388 CD ARG A 44 -0.760 -4.013 -6.183 1.00 0.00 C ATOM 389 NE ARG A 44 -1.575 -5.227 -6.008 1.00 0.00 N ATOM 390 CZ ARG A 44 -1.568 -6.348 -6.697 1.00 0.00 C ATOM 391 NH1 ARG A 44 -0.735 -6.571 -7.674 1.00 0.00 N ATOM 392 NH2 ARG A 44 -2.422 -7.278 -6.388 1.00 0.00 N ATOM 0 H ARG A 44 -3.849 -2.737 -3.028 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.648 -4.652 -3.516 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.755 -1.623 -3.830 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.270 -2.554 -3.842 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.511 -2.807 -5.874 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -1.038 -1.885 -6.100 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -0.558 -3.862 -7.243 1.00 0.00 H new ATOM 0 HD3 ARG A 44 0.203 -4.149 -5.691 1.00 0.00 H new ATOM 0 HE ARG A 44 -2.244 -5.194 -5.239 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -0.051 -5.860 -7.933 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -0.767 -7.456 -8.180 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -3.081 -7.131 -5.624 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -2.433 -8.154 -6.910 1.00 0.00 H new ATOM 406 N TYR A 45 -0.346 -3.606 -1.410 1.00 0.00 N ATOM 407 CA TYR A 45 0.189 -3.430 -0.059 1.00 0.00 C ATOM 408 C TYR A 45 1.503 -2.632 -0.105 1.00 0.00 C ATOM 409 O TYR A 45 2.341 -2.843 -0.985 1.00 0.00 O ATOM 410 CB TYR A 45 0.351 -4.813 0.590 1.00 0.00 C ATOM 411 CG TYR A 45 -0.953 -5.582 0.762 1.00 0.00 C ATOM 412 CD1 TYR A 45 -1.461 -6.373 -0.291 1.00 0.00 C ATOM 413 CD2 TYR A 45 -1.672 -5.494 1.973 1.00 0.00 C ATOM 414 CE1 TYR A 45 -2.669 -7.080 -0.137 1.00 0.00 C ATOM 415 CE2 TYR A 45 -2.870 -6.217 2.135 1.00 0.00 C ATOM 416 CZ TYR A 45 -3.375 -7.007 1.082 1.00 0.00 C ATOM 417 OH TYR A 45 -4.543 -7.687 1.248 1.00 0.00 O ATOM 0 H TYR A 45 0.365 -3.887 -2.086 1.00 0.00 H new ATOM 0 HA TYR A 45 -0.499 -2.849 0.555 1.00 0.00 H new ATOM 0 HB2 TYR A 45 1.033 -5.409 -0.017 1.00 0.00 H new ATOM 0 HB3 TYR A 45 0.818 -4.690 1.567 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -0.919 -6.436 -1.223 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -1.304 -4.872 2.776 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.054 -7.677 -0.950 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -3.405 -6.166 3.072 1.00 0.00 H new ATOM 0 HH TYR A 45 -4.892 -7.523 2.149 1.00 0.00 H new ATOM 427 N TYR A 46 1.677 -1.690 0.823 1.00 0.00 N ATOM 428 CA TYR A 46 2.788 -0.731 0.829 1.00 0.00 C ATOM 429 C TYR A 46 3.358 -0.537 2.242 1.00 0.00 C ATOM 430 O TYR A 46 2.616 -0.320 3.201 1.00 0.00 O ATOM 431 CB TYR A 46 2.309 0.614 0.257 1.00 0.00 C ATOM 432 CG TYR A 46 2.003 0.627 -1.234 1.00 0.00 C ATOM 433 CD1 TYR A 46 0.724 0.272 -1.705 1.00 0.00 C ATOM 434 CD2 TYR A 46 2.985 1.058 -2.150 1.00 0.00 C ATOM 435 CE1 TYR A 46 0.410 0.388 -3.074 1.00 0.00 C ATOM 436 CE2 TYR A 46 2.678 1.166 -3.522 1.00 0.00 C ATOM 437 CZ TYR A 46 1.383 0.847 -3.984 1.00 0.00 C ATOM 438 OH TYR A 46 1.056 1.024 -5.294 1.00 0.00 O ATOM 0 H TYR A 46 1.038 -1.568 1.608 1.00 0.00 H new ATOM 0 HA TYR A 46 3.588 -1.129 0.205 1.00 0.00 H new ATOM 0 HB2 TYR A 46 1.412 0.918 0.796 1.00 0.00 H new ATOM 0 HB3 TYR A 46 3.072 1.366 0.459 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -0.021 -0.091 -1.013 1.00 0.00 H new ATOM 0 HD2 TYR A 46 3.976 1.306 -1.799 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -0.577 0.125 -3.426 1.00 0.00 H new ATOM 0 HE2 TYR A 46 3.434 1.493 -4.220 1.00 0.00 H new ATOM 0 HH TYR A 46 1.840 1.345 -5.786 1.00 0.00 H new ATOM 448 N CYS A 47 4.688 -0.593 2.371 1.00 0.00 N ATOM 449 CA CYS A 47 5.408 -0.227 3.591 1.00 0.00 C ATOM 450 C CYS A 47 5.293 1.282 3.886 1.00 0.00 C ATOM 451 O CYS A 47 5.704 2.119 3.080 1.00 0.00 O ATOM 452 CB CYS A 47 6.876 -0.669 3.475 1.00 0.00 C ATOM 453 SG CYS A 47 7.192 -2.367 4.032 1.00 0.00 S ATOM 0 H CYS A 47 5.303 -0.899 1.617 1.00 0.00 H new ATOM 0 HA CYS A 47 4.952 -0.745 4.435 1.00 0.00 H new ATOM 0 HB2 CYS A 47 7.190 -0.576 2.435 1.00 0.00 H new ATOM 0 HB3 CYS A 47 7.496 0.013 4.057 1.00 0.00 H new ATOM 458 N MET A 48 4.756 1.618 5.063 1.00 0.00 N ATOM 459 CA MET A 48 4.481 2.981 5.547 1.00 0.00 C ATOM 460 C MET A 48 5.381 3.396 6.732 1.00 0.00 C ATOM 461 O MET A 48 5.122 4.406 7.384 1.00 0.00 O ATOM 462 CB MET A 48 2.986 3.108 5.910 1.00 0.00 C ATOM 463 CG MET A 48 2.028 2.764 4.761 1.00 0.00 C ATOM 464 SD MET A 48 2.307 3.635 3.190 1.00 0.00 S ATOM 465 CE MET A 48 1.929 5.334 3.694 1.00 0.00 C ATOM 0 H MET A 48 4.485 0.909 5.744 1.00 0.00 H new ATOM 0 HA MET A 48 4.720 3.671 4.738 1.00 0.00 H new ATOM 0 HB2 MET A 48 2.772 2.453 6.755 1.00 0.00 H new ATOM 0 HB3 MET A 48 2.789 4.128 6.239 1.00 0.00 H new ATOM 0 HG2 MET A 48 2.090 1.692 4.573 1.00 0.00 H new ATOM 0 HG3 MET A 48 1.010 2.971 5.091 1.00 0.00 H new ATOM 0 HE1 MET A 48 2.103 6.009 2.856 1.00 0.00 H new ATOM 0 HE2 MET A 48 0.885 5.399 4.001 1.00 0.00 H new ATOM 0 HE3 MET A 48 2.571 5.617 4.528 1.00 0.00 H new ATOM 475 N GLY A 49 6.434 2.622 7.026 1.00 0.00 N ATOM 476 CA GLY A 49 7.351 2.850 8.150 1.00 0.00 C ATOM 477 C GLY A 49 6.879 2.126 9.415 1.00 0.00 C ATOM 478 O GLY A 49 5.911 2.547 10.049 1.00 0.00 O ATOM 0 H GLY A 49 6.678 1.799 6.475 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.349 2.504 7.882 1.00 0.00 H new ATOM 0 HA3 GLY A 49 7.427 3.919 8.348 1.00 0.00 H new ATOM 482 N ASN A 50 7.531 1.005 9.754 1.00 0.00 N ATOM 483 CA ASN A 50 7.212 0.090 10.869 1.00 0.00 C ATOM 484 C ASN A 50 5.837 -0.625 10.766 1.00 0.00 C ATOM 485 O ASN A 50 5.520 -1.483 11.589 1.00 0.00 O ATOM 486 CB ASN A 50 7.448 0.837 12.199 1.00 0.00 C ATOM 487 CG ASN A 50 7.504 -0.060 13.426 1.00 0.00 C ATOM 488 OD1 ASN A 50 6.582 -0.133 14.227 1.00 0.00 O ATOM 489 ND2 ASN A 50 8.610 -0.736 13.643 1.00 0.00 N ATOM 0 H ASN A 50 8.346 0.690 9.227 1.00 0.00 H new ATOM 0 HA ASN A 50 7.894 -0.759 10.815 1.00 0.00 H new ATOM 0 HB2 ASN A 50 8.383 1.392 12.128 1.00 0.00 H new ATOM 0 HB3 ASN A 50 6.652 1.569 12.336 1.00 0.00 H new ATOM 0 HD21 ASN A 50 8.697 -1.318 14.476 1.00 0.00 H new ATOM 0 HD22 ASN A 50 9.382 -0.679 12.978 1.00 0.00 H new ATOM 496 N CYS A 51 5.053 -0.348 9.719 1.00 0.00 N ATOM 497 CA CYS A 51 3.821 -1.041 9.336 1.00 0.00 C ATOM 498 C CYS A 51 3.729 -1.159 7.804 1.00 0.00 C ATOM 499 O CYS A 51 4.286 -0.328 7.083 1.00 0.00 O ATOM 500 CB CYS A 51 2.623 -0.247 9.880 1.00 0.00 C ATOM 501 SG CYS A 51 1.020 -1.082 9.708 1.00 0.00 S ATOM 0 H CYS A 51 5.277 0.413 9.078 1.00 0.00 H new ATOM 0 HA CYS A 51 3.819 -2.047 9.755 1.00 0.00 H new ATOM 0 HB2 CYS A 51 2.795 -0.033 10.935 1.00 0.00 H new ATOM 0 HB3 CYS A 51 2.575 0.712 9.364 1.00 0.00 H new ATOM 506 N CYS A 52 2.974 -2.139 7.303 1.00 0.00 N ATOM 507 CA CYS A 52 2.592 -2.267 5.897 1.00 0.00 C ATOM 508 C CYS A 52 1.063 -2.196 5.759 1.00 0.00 C ATOM 509 O CYS A 52 0.348 -3.117 6.167 1.00 0.00 O ATOM 510 CB CYS A 52 3.169 -3.557 5.310 1.00 0.00 C ATOM 511 SG CYS A 52 2.661 -3.861 3.601 1.00 0.00 S ATOM 0 H CYS A 52 2.600 -2.889 7.884 1.00 0.00 H new ATOM 0 HA CYS A 52 3.009 -1.437 5.326 1.00 0.00 H new ATOM 0 HB2 CYS A 52 4.257 -3.513 5.355 1.00 0.00 H new ATOM 0 HB3 CYS A 52 2.859 -4.399 5.928 1.00 0.00 H new ATOM 516 N LYS A 53 0.557 -1.081 5.221 1.00 0.00 N ATOM 517 CA LYS A 53 -0.879 -0.826 5.033 1.00 0.00 C ATOM 518 C LYS A 53 -1.346 -1.318 3.657 1.00 0.00 C ATOM 519 O LYS A 53 -0.619 -1.217 2.664 1.00 0.00 O ATOM 520 CB LYS A 53 -1.150 0.678 5.233 1.00 0.00 C ATOM 521 CG LYS A 53 -2.635 0.967 5.504 1.00 0.00 C ATOM 522 CD LYS A 53 -2.902 2.470 5.671 1.00 0.00 C ATOM 523 CE LYS A 53 -4.404 2.792 5.744 1.00 0.00 C ATOM 524 NZ LYS A 53 -5.045 2.284 6.988 1.00 0.00 N ATOM 0 H LYS A 53 1.145 -0.313 4.897 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.453 -1.383 5.773 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.552 1.046 6.066 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -0.831 1.225 4.346 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.237 0.580 4.682 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.950 0.440 6.405 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.412 2.825 6.578 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -2.457 3.011 4.836 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -4.542 3.872 5.685 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -4.906 2.358 4.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -6.056 2.529 6.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -4.940 1.250 7.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.588 2.717 7.816 1.00 0.00 H new ATOM 538 N VAL A 54 -2.573 -1.831 3.589 1.00 0.00 N ATOM 539 CA VAL A 54 -3.273 -2.109 2.324 1.00 0.00 C ATOM 540 C VAL A 54 -3.696 -0.804 1.630 1.00 0.00 C ATOM 541 O VAL A 54 -4.050 0.179 2.283 1.00 0.00 O ATOM 542 CB VAL A 54 -4.470 -3.050 2.570 1.00 0.00 C ATOM 543 CG1 VAL A 54 -5.632 -2.394 3.318 1.00 0.00 C ATOM 544 CG2 VAL A 54 -5.020 -3.640 1.271 1.00 0.00 C ATOM 0 H VAL A 54 -3.120 -2.070 4.416 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.587 -2.619 1.648 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.056 -3.839 3.198 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -6.434 -3.120 3.452 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -5.288 -2.049 4.293 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.002 -1.546 2.743 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.861 -4.295 1.497 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.353 -2.834 0.618 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.238 -4.212 0.771 1.00 0.00 H new ATOM 554 N TYR A 55 -3.695 -0.811 0.301 1.00 0.00 N ATOM 555 CA TYR A 55 -4.199 0.249 -0.571 1.00 0.00 C ATOM 556 C TYR A 55 -5.129 -0.367 -1.618 1.00 0.00 C ATOM 557 O TYR A 55 -4.768 -1.335 -2.288 1.00 0.00 O ATOM 558 CB TYR A 55 -3.030 0.987 -1.242 1.00 0.00 C ATOM 559 CG TYR A 55 -2.433 2.104 -0.404 1.00 0.00 C ATOM 560 CD1 TYR A 55 -1.542 1.821 0.652 1.00 0.00 C ATOM 561 CD2 TYR A 55 -2.789 3.440 -0.679 1.00 0.00 C ATOM 562 CE1 TYR A 55 -1.012 2.870 1.429 1.00 0.00 C ATOM 563 CE2 TYR A 55 -2.263 4.491 0.096 1.00 0.00 C ATOM 564 CZ TYR A 55 -1.373 4.207 1.155 1.00 0.00 C ATOM 565 OH TYR A 55 -0.874 5.219 1.916 1.00 0.00 O ATOM 0 H TYR A 55 -3.322 -1.600 -0.228 1.00 0.00 H new ATOM 0 HA TYR A 55 -4.758 0.976 0.018 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -2.247 0.266 -1.476 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.374 1.403 -2.189 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -1.266 0.799 0.865 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -3.469 3.659 -1.489 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -0.328 2.651 2.236 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -2.540 5.513 -0.119 1.00 0.00 H new ATOM 0 HH TYR A 55 -1.223 6.075 1.591 1.00 0.00 H new ATOM 575 N GLU A 56 -6.329 0.188 -1.768 1.00 0.00 N ATOM 576 CA GLU A 56 -7.293 -0.225 -2.791 1.00 0.00 C ATOM 577 C GLU A 56 -7.900 0.971 -3.534 1.00 0.00 C ATOM 578 O GLU A 56 -7.999 2.066 -2.974 1.00 0.00 O ATOM 579 CB GLU A 56 -8.336 -1.199 -2.225 1.00 0.00 C ATOM 580 CG GLU A 56 -9.069 -0.766 -0.951 1.00 0.00 C ATOM 581 CD GLU A 56 -10.067 0.395 -1.145 1.00 0.00 C ATOM 582 OE1 GLU A 56 -10.898 0.344 -2.085 1.00 0.00 O ATOM 583 OE2 GLU A 56 -10.068 1.337 -0.315 1.00 0.00 O ATOM 0 H GLU A 56 -6.666 0.947 -1.176 1.00 0.00 H new ATOM 0 HA GLU A 56 -6.748 -0.784 -3.552 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.081 -1.385 -2.998 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.840 -2.149 -2.025 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -9.605 -1.625 -0.547 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -8.331 -0.472 -0.205 1.00 0.00 H new ATOM 590 N GLY A 57 -8.267 0.773 -4.807 1.00 0.00 N ATOM 591 CA GLY A 57 -8.796 1.847 -5.668 1.00 0.00 C ATOM 592 C GLY A 57 -8.180 1.997 -7.063 1.00 0.00 C ATOM 593 O GLY A 57 -8.424 3.025 -7.694 1.00 0.00 O ATOM 0 H GLY A 57 -8.207 -0.133 -5.271 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -9.867 1.686 -5.788 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.673 2.793 -5.141 1.00 0.00 H new ATOM 597 N CYS A 58 -7.387 1.017 -7.516 1.00 0.00 N ATOM 598 CA CYS A 58 -6.640 0.911 -8.780 1.00 0.00 C ATOM 599 C CYS A 58 -5.184 1.371 -8.586 1.00 0.00 C ATOM 600 O CYS A 58 -4.860 2.554 -8.722 1.00 0.00 O ATOM 601 CB CYS A 58 -7.323 1.649 -9.932 1.00 0.00 C ATOM 602 SG CYS A 58 -6.743 1.214 -11.593 1.00 0.00 S ATOM 0 H CYS A 58 -7.236 0.187 -6.943 1.00 0.00 H new ATOM 0 HA CYS A 58 -6.630 -0.141 -9.065 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -8.395 1.457 -9.879 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -7.184 2.720 -9.787 1.00 0.00 H new ATOM 607 N TYR A 59 -4.323 0.416 -8.232 1.00 0.00 N ATOM 608 CA TYR A 59 -2.900 0.599 -7.937 1.00 0.00 C ATOM 609 C TYR A 59 -2.097 -0.522 -8.616 1.00 0.00 C ATOM 610 O TYR A 59 -2.447 -1.698 -8.493 1.00 0.00 O ATOM 611 CB TYR A 59 -2.693 0.591 -6.412 1.00 0.00 C ATOM 612 CG TYR A 59 -3.246 1.806 -5.684 1.00 0.00 C ATOM 613 CD1 TYR A 59 -4.603 1.861 -5.304 1.00 0.00 C ATOM 614 CD2 TYR A 59 -2.393 2.887 -5.387 1.00 0.00 C ATOM 615 CE1 TYR A 59 -5.109 2.999 -4.647 1.00 0.00 C ATOM 616 CE2 TYR A 59 -2.889 4.016 -4.708 1.00 0.00 C ATOM 617 CZ TYR A 59 -4.248 4.074 -4.333 1.00 0.00 C ATOM 618 OH TYR A 59 -4.718 5.162 -3.665 1.00 0.00 O ATOM 0 H TYR A 59 -4.614 -0.557 -8.138 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.550 1.556 -8.324 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -3.160 -0.304 -6.001 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -1.625 0.517 -6.205 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -5.256 1.028 -5.518 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -1.355 2.849 -5.681 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -6.155 3.050 -4.383 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -2.229 4.838 -4.474 1.00 0.00 H new ATOM 0 HH TYR A 59 -3.990 5.804 -3.532 1.00 0.00 H new ATOM 628 N THR A 60 -1.034 -0.166 -9.343 1.00 0.00 N ATOM 629 CA THR A 60 -0.217 -1.094 -10.160 1.00 0.00 C ATOM 630 C THR A 60 1.246 -1.203 -9.704 1.00 0.00 C ATOM 631 O THR A 60 1.999 -2.025 -10.232 1.00 0.00 O ATOM 632 CB THR A 60 -0.287 -0.712 -11.652 1.00 0.00 C ATOM 633 OG1 THR A 60 0.073 0.644 -11.845 1.00 0.00 O ATOM 634 CG2 THR A 60 -1.699 -0.888 -12.217 1.00 0.00 C ATOM 0 H THR A 60 -0.702 0.798 -9.387 1.00 0.00 H new ATOM 0 HA THR A 60 -0.654 -2.082 -10.013 1.00 0.00 H new ATOM 0 HB THR A 60 0.407 -1.375 -12.168 1.00 0.00 H new ATOM 0 HG1 THR A 60 0.023 0.863 -12.799 1.00 0.00 H new ATOM 0 HG21 THR A 60 -1.707 -0.609 -13.271 1.00 0.00 H new ATOM 0 HG22 THR A 60 -2.004 -1.929 -12.116 1.00 0.00 H new ATOM 0 HG23 THR A 60 -2.393 -0.251 -11.668 1.00 0.00 H new ATOM 642 N GLY A 61 1.650 -0.409 -8.707 1.00 0.00 N ATOM 643 CA GLY A 61 2.963 -0.440 -8.052 1.00 0.00 C ATOM 644 C GLY A 61 2.961 -1.221 -6.729 1.00 0.00 C ATOM 645 O GLY A 61 2.001 -1.924 -6.398 1.00 0.00 O ATOM 0 H GLY A 61 1.040 0.309 -8.315 1.00 0.00 H new ATOM 0 HA2 GLY A 61 3.690 -0.888 -8.730 1.00 0.00 H new ATOM 0 HA3 GLY A 61 3.292 0.582 -7.863 1.00 0.00 H new ATOM 649 N GLY A 62 4.048 -1.079 -5.965 1.00 0.00 N ATOM 650 CA GLY A 62 4.189 -1.642 -4.617 1.00 0.00 C ATOM 651 C GLY A 62 4.238 -3.171 -4.569 1.00 0.00 C ATOM 652 O GLY A 62 4.486 -3.846 -5.572 1.00 0.00 O ATOM 0 H GLY A 62 4.871 -0.560 -6.271 1.00 0.00 H new ATOM 0 HA2 GLY A 62 5.100 -1.248 -4.166 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.355 -1.299 -4.005 1.00 0.00 H new ATOM 656 N TYR A 63 4.042 -3.720 -3.371 1.00 0.00 N ATOM 657 CA TYR A 63 3.976 -5.161 -3.136 1.00 0.00 C ATOM 658 C TYR A 63 2.574 -5.693 -3.465 1.00 0.00 C ATOM 659 O TYR A 63 1.553 -5.078 -3.140 1.00 0.00 O ATOM 660 CB TYR A 63 4.355 -5.463 -1.682 1.00 0.00 C ATOM 661 CG TYR A 63 5.729 -4.957 -1.272 1.00 0.00 C ATOM 662 CD1 TYR A 63 6.868 -5.750 -1.510 1.00 0.00 C ATOM 663 CD2 TYR A 63 5.868 -3.701 -0.647 1.00 0.00 C ATOM 664 CE1 TYR A 63 8.139 -5.305 -1.097 1.00 0.00 C ATOM 665 CE2 TYR A 63 7.137 -3.251 -0.233 1.00 0.00 C ATOM 666 CZ TYR A 63 8.276 -4.056 -0.453 1.00 0.00 C ATOM 667 OH TYR A 63 9.506 -3.633 -0.052 1.00 0.00 O ATOM 0 H TYR A 63 3.923 -3.166 -2.523 1.00 0.00 H new ATOM 0 HA TYR A 63 4.685 -5.666 -3.791 1.00 0.00 H new ATOM 0 HB2 TYR A 63 3.607 -5.019 -1.025 1.00 0.00 H new ATOM 0 HB3 TYR A 63 4.317 -6.541 -1.526 1.00 0.00 H new ATOM 0 HD1 TYR A 63 6.767 -6.702 -2.010 1.00 0.00 H new ATOM 0 HD2 TYR A 63 4.998 -3.082 -0.485 1.00 0.00 H new ATOM 0 HE1 TYR A 63 9.009 -5.920 -1.273 1.00 0.00 H new ATOM 0 HE2 TYR A 63 7.239 -2.291 0.252 1.00 0.00 H new ATOM 0 HH TYR A 63 9.427 -2.754 0.373 1.00 0.00 H new ATOM 677 N SER A 64 2.510 -6.860 -4.108 1.00 0.00 N ATOM 678 CA SER A 64 1.242 -7.500 -4.495 1.00 0.00 C ATOM 679 C SER A 64 0.428 -8.018 -3.302 1.00 0.00 C ATOM 680 O SER A 64 -0.803 -8.030 -3.360 1.00 0.00 O ATOM 681 CB SER A 64 1.506 -8.647 -5.476 1.00 0.00 C ATOM 682 OG SER A 64 2.413 -9.582 -4.915 1.00 0.00 O ATOM 0 H SER A 64 3.336 -7.393 -4.378 1.00 0.00 H new ATOM 0 HA SER A 64 0.643 -6.724 -4.972 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.568 -9.145 -5.724 1.00 0.00 H new ATOM 0 HB3 SER A 64 1.912 -8.251 -6.407 1.00 0.00 H new ATOM 0 HG SER A 64 2.570 -10.309 -5.553 1.00 0.00 H new ATOM 688 N ARG A 65 1.101 -8.427 -2.217 1.00 0.00 N ATOM 689 CA ARG A 65 0.526 -9.031 -0.999 1.00 0.00 C ATOM 690 C ARG A 65 1.216 -8.531 0.272 1.00 0.00 C ATOM 691 O ARG A 65 2.381 -8.133 0.239 1.00 0.00 O ATOM 692 CB ARG A 65 0.644 -10.567 -1.093 1.00 0.00 C ATOM 693 CG ARG A 65 -0.257 -11.197 -2.168 1.00 0.00 C ATOM 694 CD ARG A 65 -1.741 -11.141 -1.788 1.00 0.00 C ATOM 695 NE ARG A 65 -2.581 -11.799 -2.808 1.00 0.00 N ATOM 696 CZ ARG A 65 -3.883 -12.014 -2.755 1.00 0.00 C ATOM 697 NH1 ARG A 65 -4.603 -11.668 -1.725 1.00 0.00 N ATOM 698 NH2 ARG A 65 -4.496 -12.589 -3.749 1.00 0.00 N ATOM 0 H ARG A 65 2.116 -8.342 -2.159 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.521 -8.735 -0.936 1.00 0.00 H new ATOM 0 HB2 ARG A 65 1.681 -10.830 -1.303 1.00 0.00 H new ATOM 0 HB3 ARG A 65 0.395 -11.001 -0.124 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -0.107 -10.678 -3.115 1.00 0.00 H new ATOM 0 HG3 ARG A 65 0.037 -12.235 -2.323 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -1.890 -11.626 -0.823 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -2.050 -10.102 -1.674 1.00 0.00 H new ATOM 0 HE ARG A 65 -2.102 -12.124 -3.648 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -4.163 -11.215 -0.924 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -5.607 -11.850 -1.720 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -3.971 -12.876 -4.575 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -5.502 -12.752 -3.702 1.00 0.00 H new ATOM 712 N MET A 66 0.530 -8.643 1.413 1.00 0.00 N ATOM 713 CA MET A 66 1.103 -8.329 2.730 1.00 0.00 C ATOM 714 C MET A 66 2.303 -9.235 3.071 1.00 0.00 C ATOM 715 O MET A 66 3.283 -8.777 3.656 1.00 0.00 O ATOM 716 CB MET A 66 0.017 -8.400 3.813 1.00 0.00 C ATOM 717 CG MET A 66 0.500 -7.773 5.130 1.00 0.00 C ATOM 718 SD MET A 66 -0.707 -7.779 6.486 1.00 0.00 S ATOM 719 CE MET A 66 -1.903 -6.559 5.875 1.00 0.00 C ATOM 0 H MET A 66 -0.441 -8.954 1.452 1.00 0.00 H new ATOM 0 HA MET A 66 1.487 -7.309 2.693 1.00 0.00 H new ATOM 0 HB2 MET A 66 -0.878 -7.882 3.468 1.00 0.00 H new ATOM 0 HB3 MET A 66 -0.262 -9.440 3.984 1.00 0.00 H new ATOM 0 HG2 MET A 66 1.393 -8.304 5.459 1.00 0.00 H new ATOM 0 HG3 MET A 66 0.796 -6.742 4.935 1.00 0.00 H new ATOM 0 HE1 MET A 66 -2.643 -6.355 6.649 1.00 0.00 H new ATOM 0 HE2 MET A 66 -1.383 -5.636 5.618 1.00 0.00 H new ATOM 0 HE3 MET A 66 -2.403 -6.952 4.990 1.00 0.00 H new ATOM 729 N GLY A 67 2.272 -10.504 2.648 1.00 0.00 N ATOM 730 CA GLY A 67 3.387 -11.443 2.820 1.00 0.00 C ATOM 731 C GLY A 67 4.674 -11.027 2.092 1.00 0.00 C ATOM 732 O GLY A 67 5.769 -11.355 2.548 1.00 0.00 O ATOM 0 H GLY A 67 1.466 -10.911 2.173 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.601 -11.546 3.884 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.080 -12.425 2.460 1.00 0.00 H new ATOM 736 N GLU A 68 4.564 -10.276 0.988 1.00 0.00 N ATOM 737 CA GLU A 68 5.716 -9.730 0.257 1.00 0.00 C ATOM 738 C GLU A 68 6.319 -8.501 0.962 1.00 0.00 C ATOM 739 O GLU A 68 7.532 -8.463 1.181 1.00 0.00 O ATOM 740 CB GLU A 68 5.324 -9.402 -1.193 1.00 0.00 C ATOM 741 CG GLU A 68 4.956 -10.630 -2.038 1.00 0.00 C ATOM 742 CD GLU A 68 6.160 -11.568 -2.255 1.00 0.00 C ATOM 743 OE1 GLU A 68 7.025 -11.265 -3.112 1.00 0.00 O ATOM 744 OE2 GLU A 68 6.251 -12.618 -1.573 1.00 0.00 O ATOM 0 H GLU A 68 3.666 -10.028 0.574 1.00 0.00 H new ATOM 0 HA GLU A 68 6.491 -10.496 0.242 1.00 0.00 H new ATOM 0 HB2 GLU A 68 4.478 -8.715 -1.182 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.152 -8.880 -1.672 1.00 0.00 H new ATOM 0 HG2 GLU A 68 4.153 -11.180 -1.547 1.00 0.00 H new ATOM 0 HG3 GLU A 68 4.573 -10.303 -3.005 1.00 0.00 H new ATOM 751 N CYS A 69 5.510 -7.514 1.374 1.00 0.00 N ATOM 752 CA CYS A 69 6.030 -6.358 2.125 1.00 0.00 C ATOM 753 C CYS A 69 6.591 -6.740 3.509 1.00 0.00 C ATOM 754 O CYS A 69 7.555 -6.126 3.968 1.00 0.00 O ATOM 755 CB CYS A 69 4.978 -5.251 2.252 1.00 0.00 C ATOM 756 SG CYS A 69 3.497 -5.659 3.194 1.00 0.00 S ATOM 0 H CYS A 69 4.505 -7.490 1.203 1.00 0.00 H new ATOM 0 HA CYS A 69 6.867 -5.974 1.542 1.00 0.00 H new ATOM 0 HB2 CYS A 69 5.449 -4.383 2.714 1.00 0.00 H new ATOM 0 HB3 CYS A 69 4.674 -4.952 1.249 1.00 0.00 H new ATOM 761 N ALA A 70 6.062 -7.788 4.153 1.00 0.00 N ATOM 762 CA ALA A 70 6.551 -8.333 5.425 1.00 0.00 C ATOM 763 C ALA A 70 7.980 -8.931 5.372 1.00 0.00 C ATOM 764 O ALA A 70 8.541 -9.274 6.416 1.00 0.00 O ATOM 765 CB ALA A 70 5.533 -9.368 5.923 1.00 0.00 C ATOM 0 H ALA A 70 5.255 -8.296 3.791 1.00 0.00 H new ATOM 0 HA ALA A 70 6.641 -7.500 6.122 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.875 -9.788 6.869 1.00 0.00 H new ATOM 0 HB2 ALA A 70 4.566 -8.887 6.068 1.00 0.00 H new ATOM 0 HB3 ALA A 70 5.435 -10.165 5.186 1.00 0.00 H new ATOM 771 N ARG A 71 8.603 -9.034 4.185 1.00 0.00 N ATOM 772 CA ARG A 71 10.043 -9.333 4.021 1.00 0.00 C ATOM 773 C ARG A 71 10.955 -8.121 4.268 1.00 0.00 C ATOM 774 O ARG A 71 12.169 -8.279 4.397 1.00 0.00 O ATOM 775 CB ARG A 71 10.308 -9.921 2.624 1.00 0.00 C ATOM 776 CG ARG A 71 9.432 -11.156 2.363 1.00 0.00 C ATOM 777 CD ARG A 71 9.964 -12.041 1.228 1.00 0.00 C ATOM 778 NE ARG A 71 11.193 -12.762 1.620 1.00 0.00 N ATOM 779 CZ ARG A 71 11.917 -13.571 0.866 1.00 0.00 C ATOM 780 NH1 ARG A 71 11.612 -13.821 -0.376 1.00 0.00 N ATOM 781 NH2 ARG A 71 12.975 -14.155 1.354 1.00 0.00 N ATOM 0 H ARG A 71 8.116 -8.911 3.297 1.00 0.00 H new ATOM 0 HA ARG A 71 10.293 -10.066 4.788 1.00 0.00 H new ATOM 0 HB2 ARG A 71 10.109 -9.164 1.865 1.00 0.00 H new ATOM 0 HB3 ARG A 71 11.360 -10.193 2.535 1.00 0.00 H new ATOM 0 HG2 ARG A 71 9.366 -11.747 3.276 1.00 0.00 H new ATOM 0 HG3 ARG A 71 8.420 -10.832 2.119 1.00 0.00 H new ATOM 0 HD2 ARG A 71 9.198 -12.760 0.939 1.00 0.00 H new ATOM 0 HD3 ARG A 71 10.169 -11.425 0.353 1.00 0.00 H new ATOM 0 HE ARG A 71 11.518 -12.620 2.576 1.00 0.00 H new ATOM 0 HH11 ARG A 71 10.791 -13.387 -0.797 1.00 0.00 H new ATOM 0 HH12 ARG A 71 12.195 -14.451 -0.927 1.00 0.00 H new ATOM 0 HH21 ARG A 71 13.248 -13.989 2.323 1.00 0.00 H new ATOM 0 HH22 ARG A 71 13.530 -14.778 0.767 1.00 0.00 H new ATOM 795 N ASN A 72 10.371 -6.923 4.345 1.00 0.00 N ATOM 796 CA ASN A 72 11.046 -5.630 4.514 1.00 0.00 C ATOM 797 C ASN A 72 10.506 -4.844 5.727 1.00 0.00 C ATOM 798 O ASN A 72 11.282 -4.452 6.601 1.00 0.00 O ATOM 799 CB ASN A 72 10.941 -4.835 3.200 1.00 0.00 C ATOM 800 CG ASN A 72 11.761 -5.473 2.089 1.00 0.00 C ATOM 801 OD1 ASN A 72 12.976 -5.337 2.028 1.00 0.00 O ATOM 802 ND2 ASN A 72 11.141 -6.198 1.186 1.00 0.00 N ATOM 0 H ASN A 72 9.358 -6.821 4.288 1.00 0.00 H new ATOM 0 HA ASN A 72 12.099 -5.804 4.733 1.00 0.00 H new ATOM 0 HB2 ASN A 72 9.897 -4.775 2.893 1.00 0.00 H new ATOM 0 HB3 ASN A 72 11.284 -3.813 3.364 1.00 0.00 H new ATOM 0 HD21 ASN A 72 11.672 -6.645 0.438 1.00 0.00 H new ATOM 0 HD22 ASN A 72 10.129 -6.314 1.233 1.00 0.00 H new ATOM 809 N CYS A 73 9.186 -4.645 5.814 1.00 0.00 N ATOM 810 CA CYS A 73 8.505 -4.216 7.042 1.00 0.00 C ATOM 811 C CYS A 73 8.589 -5.299 8.146 1.00 0.00 C ATOM 812 O CYS A 73 8.766 -6.479 7.828 1.00 0.00 O ATOM 813 CB CYS A 73 7.039 -3.890 6.710 1.00 0.00 C ATOM 814 SG CYS A 73 6.777 -2.235 6.023 1.00 0.00 S ATOM 0 H CYS A 73 8.553 -4.779 5.025 1.00 0.00 H new ATOM 0 HA CYS A 73 9.002 -3.326 7.429 1.00 0.00 H new ATOM 0 HB2 CYS A 73 6.668 -4.628 5.999 1.00 0.00 H new ATOM 0 HB3 CYS A 73 6.443 -3.992 7.617 1.00 0.00 H new ATOM 819 N PRO A 74 8.414 -4.949 9.440 1.00 0.00 N ATOM 820 CA PRO A 74 8.520 -5.914 10.544 1.00 0.00 C ATOM 821 C PRO A 74 7.325 -6.885 10.664 1.00 0.00 C ATOM 822 O PRO A 74 7.436 -7.902 11.357 1.00 0.00 O ATOM 823 CB PRO A 74 8.672 -5.056 11.804 1.00 0.00 C ATOM 824 CG PRO A 74 7.904 -3.787 11.450 1.00 0.00 C ATOM 825 CD PRO A 74 8.212 -3.601 9.966 1.00 0.00 C ATOM 0 HA PRO A 74 9.366 -6.580 10.375 1.00 0.00 H new ATOM 0 HB2 PRO A 74 8.253 -5.550 12.681 1.00 0.00 H new ATOM 0 HB3 PRO A 74 9.718 -4.846 12.025 1.00 0.00 H new ATOM 0 HG2 PRO A 74 6.835 -3.899 11.629 1.00 0.00 H new ATOM 0 HG3 PRO A 74 8.238 -2.935 12.041 1.00 0.00 H new ATOM 0 HD2 PRO A 74 7.391 -3.098 9.454 1.00 0.00 H new ATOM 0 HD3 PRO A 74 9.101 -2.986 9.823 1.00 0.00 H new ATOM 833 N GLY A 75 6.199 -6.600 9.992 1.00 0.00 N ATOM 834 CA GLY A 75 4.954 -7.387 10.002 1.00 0.00 C ATOM 835 C GLY A 75 3.913 -6.827 10.973 1.00 0.00 C ATOM 836 O GLY A 75 3.333 -5.763 10.660 1.00 0.00 O ATOM 837 OXT GLY A 75 3.681 -7.456 12.029 1.00 0.00 O ATOM 0 H GLY A 75 6.127 -5.774 9.397 1.00 0.00 H new ATOM 0 HA2 GLY A 75 4.534 -7.408 8.997 1.00 0.00 H new ATOM 0 HA3 GLY A 75 5.182 -8.418 10.274 1.00 0.00 H new TER 841 GLY A 75