USER MOD reduce.3.24.130724 H: found=0, std=0, add=405, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 397 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 16 CYS SG : rot 32:sc= 0.185 USER MOD Set 1.2: A 34 CYS SG : rot -112:sc= 0.593 USER MOD Set 1.3: A 38 TYR OH : rot -107:sc= 0.201 USER MOD Set 1.4: A 43 CYS SG : rot 127:sc= -1.54! USER MOD Set 2.1: A 8 CYS SG : rot -130:sc= -0.128 USER MOD Set 2.2: A 15 TYR OH : rot 95:sc= -1.55! USER MOD Set 2.3: A 21 CYS SG : rot 27:sc= 1.56 USER MOD Single : A 1 ARG N :NH3+ 155:sc= 0 (180deg=-0.887!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ -114:sc= 0 (180deg=-0.0977) USER MOD Single : A 11 GLN : amide:sc= -0.182 X(o=-0.18,f=-0.00048) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 176:sc= -3.41! (180deg=-3.59!) USER MOD Single : A 14 HIS : no HD1:sc= -0.0187 X(o=-0.019,f=0) USER MOD Single : A 18 LYS NZ :NH3+ -162:sc= -0.0725 (180deg=-0.207) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 THR OG1 : rot 79:sc= 1.06 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 CYS SG : rot 43:sc= 0.527 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -0.190 10.239 -16.526 1.00 0.00 N ATOM 2 CA ARG A 1 0.462 9.176 -15.706 1.00 0.00 C ATOM 3 C ARG A 1 1.173 9.798 -14.502 1.00 0.00 C ATOM 4 O ARG A 1 2.308 9.478 -14.205 1.00 0.00 O ATOM 5 CB ARG A 1 1.472 8.517 -16.646 1.00 0.00 C ATOM 6 CG ARG A 1 2.344 9.593 -17.295 1.00 0.00 C ATOM 7 CD ARG A 1 3.683 8.982 -17.712 1.00 0.00 C ATOM 8 NE ARG A 1 4.362 10.048 -18.500 1.00 0.00 N ATOM 9 CZ ARG A 1 3.888 10.404 -19.662 1.00 0.00 C ATOM 10 NH1 ARG A 1 3.855 9.546 -20.645 1.00 0.00 N ATOM 11 NH2 ARG A 1 3.446 11.619 -19.843 1.00 0.00 N ATOM 0 H1 ARG A 1 -0.293 9.907 -17.506 1.00 0.00 H new ATOM 0 H2 ARG A 1 -1.129 10.454 -16.133 1.00 0.00 H new ATOM 0 H3 ARG A 1 0.396 11.098 -16.511 1.00 0.00 H new ATOM 0 HA ARG A 1 -0.257 8.458 -15.312 1.00 0.00 H new ATOM 0 HB2 ARG A 1 2.095 7.814 -16.093 1.00 0.00 H new ATOM 0 HB3 ARG A 1 0.951 7.945 -17.413 1.00 0.00 H new ATOM 0 HG2 ARG A 1 1.837 10.012 -18.164 1.00 0.00 H new ATOM 0 HG3 ARG A 1 2.508 10.413 -16.596 1.00 0.00 H new ATOM 0 HD2 ARG A 1 4.275 8.696 -16.842 1.00 0.00 H new ATOM 0 HD3 ARG A 1 3.538 8.082 -18.309 1.00 0.00 H new ATOM 0 HE ARG A 1 5.198 10.500 -18.131 1.00 0.00 H new ATOM 0 HH11 ARG A 1 4.200 8.596 -20.505 1.00 0.00 H new ATOM 0 HH12 ARG A 1 3.484 9.825 -21.553 1.00 0.00 H new ATOM 0 HH21 ARG A 1 3.471 12.290 -19.076 1.00 0.00 H new ATOM 0 HH22 ARG A 1 3.075 11.897 -20.752 1.00 0.00 H new ATOM 27 N LYS A 2 0.516 10.684 -13.805 1.00 0.00 N ATOM 28 CA LYS A 2 1.155 11.324 -12.620 1.00 0.00 C ATOM 29 C LYS A 2 0.410 10.931 -11.340 1.00 0.00 C ATOM 30 O LYS A 2 -0.553 10.191 -11.375 1.00 0.00 O ATOM 31 CB LYS A 2 1.034 12.828 -12.870 1.00 0.00 C ATOM 32 CG LYS A 2 2.002 13.240 -13.981 1.00 0.00 C ATOM 33 CD LYS A 2 1.822 14.727 -14.290 1.00 0.00 C ATOM 34 CE LYS A 2 2.990 15.217 -15.150 1.00 0.00 C ATOM 35 NZ LYS A 2 2.587 16.576 -15.609 1.00 0.00 N ATOM 0 H LYS A 2 -0.436 10.993 -14.005 1.00 0.00 H new ATOM 0 HA LYS A 2 2.192 11.014 -12.492 1.00 0.00 H new ATOM 0 HB2 LYS A 2 0.012 13.079 -13.152 1.00 0.00 H new ATOM 0 HB3 LYS A 2 1.257 13.378 -11.956 1.00 0.00 H new ATOM 0 HG2 LYS A 2 3.029 13.043 -13.674 1.00 0.00 H new ATOM 0 HG3 LYS A 2 1.818 12.647 -14.877 1.00 0.00 H new ATOM 0 HD2 LYS A 2 0.879 14.889 -14.813 1.00 0.00 H new ATOM 0 HD3 LYS A 2 1.775 15.298 -13.363 1.00 0.00 H new ATOM 0 HE2 LYS A 2 3.916 15.253 -14.575 1.00 0.00 H new ATOM 0 HE3 LYS A 2 3.165 14.551 -15.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 3.338 16.978 -16.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 1.707 16.510 -16.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 2.434 17.190 -14.784 1.00 0.00 H new ATOM 49 N GLY A 3 0.849 11.419 -10.213 1.00 0.00 N ATOM 50 CA GLY A 3 0.163 11.071 -8.935 1.00 0.00 C ATOM 51 C GLY A 3 0.989 11.581 -7.753 1.00 0.00 C ATOM 52 O GLY A 3 2.124 11.195 -7.563 1.00 0.00 O ATOM 0 H GLY A 3 1.651 12.042 -10.121 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -0.833 11.513 -8.913 1.00 0.00 H new ATOM 0 HA3 GLY A 3 0.034 9.991 -8.862 1.00 0.00 H new ATOM 56 N HIS A 4 0.425 12.445 -6.954 1.00 0.00 N ATOM 57 CA HIS A 4 1.174 12.979 -5.781 1.00 0.00 C ATOM 58 C HIS A 4 0.268 13.004 -4.546 1.00 0.00 C ATOM 59 O HIS A 4 -0.159 14.050 -4.099 1.00 0.00 O ATOM 60 CB HIS A 4 1.575 14.399 -6.181 1.00 0.00 C ATOM 61 CG HIS A 4 2.927 14.720 -5.605 1.00 0.00 C ATOM 62 ND1 HIS A 4 3.080 15.490 -4.462 1.00 0.00 N ATOM 63 CD2 HIS A 4 4.198 14.384 -6.002 1.00 0.00 C ATOM 64 CE1 HIS A 4 4.399 15.590 -4.213 1.00 0.00 C ATOM 65 NE2 HIS A 4 5.126 14.934 -5.123 1.00 0.00 N ATOM 0 H HIS A 4 -0.523 12.805 -7.063 1.00 0.00 H new ATOM 0 HA HIS A 4 2.040 12.368 -5.529 1.00 0.00 H new ATOM 0 HB2 HIS A 4 1.600 14.489 -7.267 1.00 0.00 H new ATOM 0 HB3 HIS A 4 0.835 15.113 -5.819 1.00 0.00 H new ATOM 0 HD2 HIS A 4 4.441 13.783 -6.866 1.00 0.00 H new ATOM 0 HE1 HIS A 4 4.819 16.134 -3.380 1.00 0.00 H new ATOM 0 HE2 HIS A 4 6.142 14.854 -5.164 1.00 0.00 H new ATOM 73 N PHE A 5 -0.030 11.859 -3.994 1.00 0.00 N ATOM 74 CA PHE A 5 -0.910 11.819 -2.791 1.00 0.00 C ATOM 75 C PHE A 5 -0.076 11.591 -1.527 1.00 0.00 C ATOM 76 O PHE A 5 1.042 12.052 -1.419 1.00 0.00 O ATOM 77 CB PHE A 5 -1.853 10.639 -3.031 1.00 0.00 C ATOM 78 CG PHE A 5 -2.480 10.766 -4.399 1.00 0.00 C ATOM 79 CD1 PHE A 5 -3.559 11.637 -4.596 1.00 0.00 C ATOM 80 CD2 PHE A 5 -1.983 10.013 -5.469 1.00 0.00 C ATOM 81 CE1 PHE A 5 -4.140 11.755 -5.863 1.00 0.00 C ATOM 82 CE2 PHE A 5 -2.566 10.131 -6.738 1.00 0.00 C ATOM 83 CZ PHE A 5 -3.644 11.002 -6.934 1.00 0.00 C ATOM 0 H PHE A 5 0.297 10.951 -4.323 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.452 12.754 -2.646 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -1.304 9.700 -2.956 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -2.628 10.617 -2.265 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -3.942 12.217 -3.770 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -1.151 9.342 -5.317 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -4.971 12.427 -6.015 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -2.184 9.550 -7.564 1.00 0.00 H new ATOM 0 HZ PHE A 5 -4.093 11.093 -7.912 1.00 0.00 H new ATOM 93 N SER A 6 -0.614 10.884 -0.571 1.00 0.00 N ATOM 94 CA SER A 6 0.148 10.629 0.686 1.00 0.00 C ATOM 95 C SER A 6 0.389 9.128 0.866 1.00 0.00 C ATOM 96 O SER A 6 -0.537 8.342 0.924 1.00 0.00 O ATOM 97 CB SER A 6 -0.746 11.164 1.804 1.00 0.00 C ATOM 98 OG SER A 6 -1.469 12.292 1.327 1.00 0.00 O ATOM 0 H SER A 6 -1.547 10.472 -0.605 1.00 0.00 H new ATOM 0 HA SER A 6 1.127 11.108 0.679 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.436 10.389 2.136 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.141 11.443 2.667 1.00 0.00 H new ATOM 0 HG SER A 6 -2.045 12.637 2.041 1.00 0.00 H new ATOM 104 N ARG A 7 1.628 8.724 0.956 1.00 0.00 N ATOM 105 CA ARG A 7 1.930 7.276 1.133 1.00 0.00 C ATOM 106 C ARG A 7 1.766 6.880 2.603 1.00 0.00 C ATOM 107 O ARG A 7 2.254 7.546 3.493 1.00 0.00 O ATOM 108 CB ARG A 7 3.387 7.119 0.697 1.00 0.00 C ATOM 109 CG ARG A 7 3.456 7.006 -0.827 1.00 0.00 C ATOM 110 CD ARG A 7 4.272 8.172 -1.390 1.00 0.00 C ATOM 111 NE ARG A 7 5.660 7.941 -0.901 1.00 0.00 N ATOM 112 CZ ARG A 7 6.517 7.299 -1.647 1.00 0.00 C ATOM 113 NH1 ARG A 7 6.575 7.540 -2.929 1.00 0.00 N ATOM 114 NH2 ARG A 7 7.315 6.415 -1.113 1.00 0.00 N ATOM 0 H ARG A 7 2.444 9.335 0.914 1.00 0.00 H new ATOM 0 HA ARG A 7 1.260 6.640 0.554 1.00 0.00 H new ATOM 0 HB2 ARG A 7 3.973 7.974 1.035 1.00 0.00 H new ATOM 0 HB3 ARG A 7 3.822 6.232 1.158 1.00 0.00 H new ATOM 0 HG2 ARG A 7 3.913 6.058 -1.111 1.00 0.00 H new ATOM 0 HG3 ARG A 7 2.451 7.015 -1.249 1.00 0.00 H new ATOM 0 HD2 ARG A 7 4.235 8.190 -2.479 1.00 0.00 H new ATOM 0 HD3 ARG A 7 3.885 9.130 -1.042 1.00 0.00 H new ATOM 0 HE ARG A 7 5.941 8.285 0.017 1.00 0.00 H new ATOM 0 HH11 ARG A 7 5.951 8.230 -3.347 1.00 0.00 H new ATOM 0 HH12 ARG A 7 7.245 7.038 -3.512 1.00 0.00 H new ATOM 0 HH21 ARG A 7 7.269 6.225 -0.112 1.00 0.00 H new ATOM 0 HH22 ARG A 7 7.984 5.914 -1.697 1.00 0.00 H new ATOM 128 N CYS A 8 1.082 5.801 2.865 1.00 0.00 N ATOM 129 CA CYS A 8 0.887 5.365 4.277 1.00 0.00 C ATOM 130 C CYS A 8 2.181 4.752 4.823 1.00 0.00 C ATOM 131 O CYS A 8 2.783 3.909 4.188 1.00 0.00 O ATOM 132 CB CYS A 8 -0.222 4.316 4.219 1.00 0.00 C ATOM 133 SG CYS A 8 -1.615 4.853 5.244 1.00 0.00 S ATOM 0 H CYS A 8 0.649 5.202 2.162 1.00 0.00 H new ATOM 0 HA CYS A 8 0.627 6.195 4.934 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -0.548 4.173 3.189 1.00 0.00 H new ATOM 0 HB3 CYS A 8 0.153 3.355 4.571 1.00 0.00 H new ATOM 0 HG CYS A 8 -1.967 3.886 6.039 1.00 0.00 H new ATOM 138 N PRO A 9 2.565 5.200 5.988 1.00 0.00 N ATOM 139 CA PRO A 9 3.802 4.690 6.629 1.00 0.00 C ATOM 140 C PRO A 9 3.582 3.270 7.157 1.00 0.00 C ATOM 141 O PRO A 9 2.482 2.756 7.142 1.00 0.00 O ATOM 142 CB PRO A 9 4.037 5.668 7.778 1.00 0.00 C ATOM 143 CG PRO A 9 2.689 6.234 8.089 1.00 0.00 C ATOM 144 CD PRO A 9 1.894 6.214 6.808 1.00 0.00 C ATOM 0 HA PRO A 9 4.649 4.632 5.945 1.00 0.00 H new ATOM 0 HB2 PRO A 9 4.462 5.163 8.645 1.00 0.00 H new ATOM 0 HB3 PRO A 9 4.737 6.452 7.491 1.00 0.00 H new ATOM 0 HG2 PRO A 9 2.192 5.645 8.860 1.00 0.00 H new ATOM 0 HG3 PRO A 9 2.777 7.251 8.472 1.00 0.00 H new ATOM 0 HD2 PRO A 9 0.851 5.954 6.990 1.00 0.00 H new ATOM 0 HD3 PRO A 9 1.899 7.189 6.320 1.00 0.00 H new ATOM 152 N LYS A 10 4.622 2.634 7.624 1.00 0.00 N ATOM 153 CA LYS A 10 4.470 1.248 8.153 1.00 0.00 C ATOM 154 C LYS A 10 3.637 1.262 9.437 1.00 0.00 C ATOM 155 O LYS A 10 2.888 0.346 9.713 1.00 0.00 O ATOM 156 CB LYS A 10 5.896 0.778 8.443 1.00 0.00 C ATOM 157 CG LYS A 10 6.456 0.056 7.216 1.00 0.00 C ATOM 158 CD LYS A 10 7.154 -1.232 7.654 1.00 0.00 C ATOM 159 CE LYS A 10 7.930 -1.821 6.474 1.00 0.00 C ATOM 160 NZ LYS A 10 6.896 -2.469 5.621 1.00 0.00 N ATOM 0 H LYS A 10 5.568 3.013 7.662 1.00 0.00 H new ATOM 0 HA LYS A 10 3.959 0.590 7.450 1.00 0.00 H new ATOM 0 HB2 LYS A 10 6.527 1.630 8.696 1.00 0.00 H new ATOM 0 HB3 LYS A 10 5.902 0.111 9.305 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.651 -0.174 6.518 1.00 0.00 H new ATOM 0 HG3 LYS A 10 7.159 0.702 6.691 1.00 0.00 H new ATOM 0 HD2 LYS A 10 7.832 -1.027 8.482 1.00 0.00 H new ATOM 0 HD3 LYS A 10 6.419 -1.952 8.015 1.00 0.00 H new ATOM 0 HE2 LYS A 10 8.465 -1.045 5.926 1.00 0.00 H new ATOM 0 HE3 LYS A 10 8.674 -2.543 6.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 7.044 -3.498 5.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 5.951 -2.257 6.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 6.969 -2.105 4.650 1.00 0.00 H new ATOM 174 N GLN A 11 3.763 2.295 10.224 1.00 0.00 N ATOM 175 CA GLN A 11 2.978 2.370 11.491 1.00 0.00 C ATOM 176 C GLN A 11 1.487 2.523 11.183 1.00 0.00 C ATOM 177 O GLN A 11 0.651 2.446 12.062 1.00 0.00 O ATOM 178 CB GLN A 11 3.509 3.609 12.212 1.00 0.00 C ATOM 179 CG GLN A 11 4.831 3.269 12.903 1.00 0.00 C ATOM 180 CD GLN A 11 5.788 4.457 12.792 1.00 0.00 C ATOM 181 OE1 GLN A 11 6.250 4.974 13.790 1.00 0.00 O ATOM 182 NE2 GLN A 11 6.107 4.915 11.614 1.00 0.00 N ATOM 0 H GLN A 11 4.375 3.091 10.045 1.00 0.00 H new ATOM 0 HA GLN A 11 3.084 1.470 12.096 1.00 0.00 H new ATOM 0 HB2 GLN A 11 3.657 4.422 11.501 1.00 0.00 H new ATOM 0 HB3 GLN A 11 2.781 3.956 12.946 1.00 0.00 H new ATOM 0 HG2 GLN A 11 4.654 3.028 13.951 1.00 0.00 H new ATOM 0 HG3 GLN A 11 5.276 2.386 12.444 1.00 0.00 H new ATOM 0 HE21 GLN A 11 5.719 4.481 10.776 1.00 0.00 H new ATOM 0 HE22 GLN A 11 6.744 5.707 11.530 1.00 0.00 H new ATOM 191 N TYR A 12 1.147 2.738 9.942 1.00 0.00 N ATOM 192 CA TYR A 12 -0.292 2.894 9.580 1.00 0.00 C ATOM 193 C TYR A 12 -0.728 1.760 8.651 1.00 0.00 C ATOM 194 O TYR A 12 -1.869 1.682 8.241 1.00 0.00 O ATOM 195 CB TYR A 12 -0.376 4.241 8.861 1.00 0.00 C ATOM 196 CG TYR A 12 -1.108 5.231 9.732 1.00 0.00 C ATOM 197 CD1 TYR A 12 -2.492 5.114 9.914 1.00 0.00 C ATOM 198 CD2 TYR A 12 -0.406 6.267 10.359 1.00 0.00 C ATOM 199 CE1 TYR A 12 -3.172 6.032 10.723 1.00 0.00 C ATOM 200 CE2 TYR A 12 -1.086 7.185 11.168 1.00 0.00 C ATOM 201 CZ TYR A 12 -2.469 7.067 11.350 1.00 0.00 C ATOM 202 OH TYR A 12 -3.140 7.972 12.148 1.00 0.00 O ATOM 0 H TYR A 12 1.802 2.812 9.163 1.00 0.00 H new ATOM 0 HA TYR A 12 -0.944 2.858 10.452 1.00 0.00 H new ATOM 0 HB2 TYR A 12 0.625 4.609 8.637 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -0.894 4.125 7.909 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -3.035 4.315 9.430 1.00 0.00 H new ATOM 0 HD2 TYR A 12 0.661 6.358 10.219 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -4.239 5.942 10.863 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -0.544 7.984 11.652 1.00 0.00 H new ATOM 0 HH TYR A 12 -2.504 8.625 12.508 1.00 0.00 H new ATOM 212 N LYS A 13 0.174 0.877 8.315 1.00 0.00 N ATOM 213 CA LYS A 13 -0.188 -0.254 7.412 1.00 0.00 C ATOM 214 C LYS A 13 -0.668 -1.453 8.233 1.00 0.00 C ATOM 215 O LYS A 13 -0.081 -2.516 8.198 1.00 0.00 O ATOM 216 CB LYS A 13 1.107 -0.597 6.673 1.00 0.00 C ATOM 217 CG LYS A 13 0.903 -0.410 5.168 1.00 0.00 C ATOM 218 CD LYS A 13 1.619 0.862 4.709 1.00 0.00 C ATOM 219 CE LYS A 13 2.921 0.489 3.998 1.00 0.00 C ATOM 220 NZ LYS A 13 3.831 0.024 5.082 1.00 0.00 N ATOM 0 H LYS A 13 1.145 0.890 8.626 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.995 0.006 6.727 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.918 0.042 7.023 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.398 -1.626 6.886 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.291 -1.273 4.628 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -0.161 -0.343 4.940 1.00 0.00 H new ATOM 0 HD2 LYS A 13 0.976 1.431 4.038 1.00 0.00 H new ATOM 0 HD3 LYS A 13 1.831 1.502 5.566 1.00 0.00 H new ATOM 0 HE2 LYS A 13 2.756 -0.294 3.258 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.341 1.344 3.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.722 -0.314 4.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.029 0.812 5.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.378 -0.752 5.607 1.00 0.00 H new ATOM 234 N HIS A 14 -1.740 -1.302 8.961 1.00 0.00 N ATOM 235 CA HIS A 14 -2.241 -2.445 9.776 1.00 0.00 C ATOM 236 C HIS A 14 -3.135 -3.325 8.912 1.00 0.00 C ATOM 237 O HIS A 14 -3.332 -4.492 9.185 1.00 0.00 O ATOM 238 CB HIS A 14 -3.046 -1.806 10.909 1.00 0.00 C ATOM 239 CG HIS A 14 -2.116 -1.073 11.834 1.00 0.00 C ATOM 240 ND1 HIS A 14 -2.506 0.059 12.532 1.00 0.00 N ATOM 241 CD2 HIS A 14 -0.809 -1.299 12.188 1.00 0.00 C ATOM 242 CE1 HIS A 14 -1.453 0.469 13.262 1.00 0.00 C ATOM 243 NE2 HIS A 14 -0.392 -0.324 13.090 1.00 0.00 N ATOM 0 H HIS A 14 -2.287 -0.444 9.027 1.00 0.00 H new ATOM 0 HA HIS A 14 -1.438 -3.072 10.162 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -3.786 -1.118 10.500 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -3.592 -2.573 11.458 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -0.197 -2.110 11.822 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -1.464 1.334 13.908 1.00 0.00 H new ATOM 0 HE2 HIS A 14 0.526 -0.234 13.526 1.00 0.00 H new ATOM 251 N TYR A 15 -3.650 -2.782 7.849 1.00 0.00 N ATOM 252 CA TYR A 15 -4.497 -3.594 6.940 1.00 0.00 C ATOM 253 C TYR A 15 -3.611 -4.235 5.869 1.00 0.00 C ATOM 254 O TYR A 15 -4.075 -4.980 5.030 1.00 0.00 O ATOM 255 CB TYR A 15 -5.485 -2.609 6.312 1.00 0.00 C ATOM 256 CG TYR A 15 -4.735 -1.432 5.734 1.00 0.00 C ATOM 257 CD1 TYR A 15 -3.926 -1.603 4.605 1.00 0.00 C ATOM 258 CD2 TYR A 15 -4.852 -0.170 6.327 1.00 0.00 C ATOM 259 CE1 TYR A 15 -3.234 -0.512 4.069 1.00 0.00 C ATOM 260 CE2 TYR A 15 -4.159 0.922 5.791 1.00 0.00 C ATOM 261 CZ TYR A 15 -3.350 0.752 4.662 1.00 0.00 C ATOM 262 OH TYR A 15 -2.670 1.828 4.133 1.00 0.00 O ATOM 0 H TYR A 15 -3.521 -1.809 7.570 1.00 0.00 H new ATOM 0 HA TYR A 15 -5.021 -4.397 7.458 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -6.060 -3.105 5.530 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -6.197 -2.265 7.062 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -3.836 -2.577 4.148 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -5.477 -0.038 7.198 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -2.610 -0.644 3.198 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -4.249 1.896 6.249 1.00 0.00 H new ATOM 0 HH TYR A 15 -3.260 2.322 3.527 1.00 0.00 H new ATOM 272 N CYS A 16 -2.330 -3.947 5.893 1.00 0.00 N ATOM 273 CA CYS A 16 -1.414 -4.539 4.876 1.00 0.00 C ATOM 274 C CYS A 16 0.034 -4.466 5.365 1.00 0.00 C ATOM 275 O CYS A 16 0.522 -3.413 5.727 1.00 0.00 O ATOM 276 CB CYS A 16 -1.601 -3.675 3.627 1.00 0.00 C ATOM 277 SG CYS A 16 -2.940 -4.354 2.615 1.00 0.00 S ATOM 0 H CYS A 16 -1.885 -3.330 6.572 1.00 0.00 H new ATOM 0 HA CYS A 16 -1.632 -5.589 4.683 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -1.832 -2.649 3.913 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -0.676 -3.645 3.051 1.00 0.00 H new ATOM 0 HG CYS A 16 -3.832 -4.902 3.386 1.00 0.00 H new ATOM 282 N ILE A 17 0.733 -5.569 5.373 1.00 0.00 N ATOM 283 CA ILE A 17 2.153 -5.540 5.834 1.00 0.00 C ATOM 284 C ILE A 17 3.076 -5.242 4.649 1.00 0.00 C ATOM 285 O ILE A 17 3.662 -4.182 4.560 1.00 0.00 O ATOM 286 CB ILE A 17 2.433 -6.933 6.401 1.00 0.00 C ATOM 287 CG1 ILE A 17 1.253 -7.386 7.264 1.00 0.00 C ATOM 288 CG2 ILE A 17 3.699 -6.887 7.259 1.00 0.00 C ATOM 289 CD1 ILE A 17 1.165 -6.505 8.511 1.00 0.00 C ATOM 0 H ILE A 17 0.386 -6.483 5.083 1.00 0.00 H new ATOM 0 HA ILE A 17 2.327 -4.767 6.582 1.00 0.00 H new ATOM 0 HB ILE A 17 2.571 -7.636 5.579 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.326 -7.322 6.694 1.00 0.00 H new ATOM 0 HG13 ILE A 17 1.379 -8.430 7.551 1.00 0.00 H new ATOM 0 HG21 ILE A 17 3.900 -7.879 7.664 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.542 -6.567 6.647 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.558 -6.182 8.078 1.00 0.00 H new ATOM 0 HD11 ILE A 17 0.325 -6.827 9.126 1.00 0.00 H new ATOM 0 HD12 ILE A 17 2.088 -6.592 9.084 1.00 0.00 H new ATOM 0 HD13 ILE A 17 1.019 -5.467 8.213 1.00 0.00 H new ATOM 301 N LYS A 18 3.207 -6.166 3.734 1.00 0.00 N ATOM 302 CA LYS A 18 4.089 -5.919 2.555 1.00 0.00 C ATOM 303 C LYS A 18 3.267 -5.350 1.394 1.00 0.00 C ATOM 304 O LYS A 18 3.141 -5.955 0.346 1.00 0.00 O ATOM 305 CB LYS A 18 4.677 -7.283 2.188 1.00 0.00 C ATOM 306 CG LYS A 18 3.558 -8.318 2.064 1.00 0.00 C ATOM 307 CD LYS A 18 3.714 -9.368 3.165 1.00 0.00 C ATOM 308 CE LYS A 18 5.126 -9.957 3.113 1.00 0.00 C ATOM 309 NZ LYS A 18 5.714 -9.665 4.450 1.00 0.00 N ATOM 0 H LYS A 18 2.745 -7.075 3.751 1.00 0.00 H new ATOM 0 HA LYS A 18 4.874 -5.195 2.775 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.224 -7.212 1.248 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.392 -7.597 2.949 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.586 -7.831 2.146 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.595 -8.794 1.084 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.532 -8.917 4.141 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.974 -10.158 3.036 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.100 -11.029 2.919 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.714 -9.503 2.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 6.749 -9.753 4.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 5.462 -8.697 4.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.342 -10.340 5.148 1.00 0.00 H new ATOM 323 N GLY A 19 2.709 -4.184 1.578 1.00 0.00 N ATOM 324 CA GLY A 19 1.896 -3.560 0.496 1.00 0.00 C ATOM 325 C GLY A 19 1.887 -2.043 0.690 1.00 0.00 C ATOM 326 O GLY A 19 1.865 -1.552 1.801 1.00 0.00 O ATOM 0 H GLY A 19 2.782 -3.635 2.435 1.00 0.00 H new ATOM 0 HA2 GLY A 19 2.311 -3.812 -0.480 1.00 0.00 H new ATOM 0 HA3 GLY A 19 0.878 -3.948 0.519 1.00 0.00 H new ATOM 330 N ARG A 20 1.908 -1.294 -0.379 1.00 0.00 N ATOM 331 CA ARG A 20 1.906 0.192 -0.244 1.00 0.00 C ATOM 332 C ARG A 20 0.505 0.746 -0.505 1.00 0.00 C ATOM 333 O ARG A 20 -0.088 0.497 -1.534 1.00 0.00 O ATOM 334 CB ARG A 20 2.886 0.688 -1.307 1.00 0.00 C ATOM 335 CG ARG A 20 4.314 0.572 -0.774 1.00 0.00 C ATOM 336 CD ARG A 20 5.168 -0.209 -1.775 1.00 0.00 C ATOM 337 NE ARG A 20 5.060 0.555 -3.048 1.00 0.00 N ATOM 338 CZ ARG A 20 6.139 0.957 -3.659 1.00 0.00 C ATOM 339 NH1 ARG A 20 7.230 0.244 -3.594 1.00 0.00 N ATOM 340 NH2 ARG A 20 6.130 2.075 -4.333 1.00 0.00 N ATOM 0 H ARG A 20 1.926 -1.644 -1.337 1.00 0.00 H new ATOM 0 HA ARG A 20 2.192 0.515 0.757 1.00 0.00 H new ATOM 0 HB2 ARG A 20 2.778 0.101 -2.219 1.00 0.00 H new ATOM 0 HB3 ARG A 20 2.666 1.724 -1.566 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.736 1.564 -0.615 1.00 0.00 H new ATOM 0 HG3 ARG A 20 4.314 0.067 0.192 1.00 0.00 H new ATOM 0 HD2 ARG A 20 6.204 -0.278 -1.442 1.00 0.00 H new ATOM 0 HD3 ARG A 20 4.803 -1.229 -1.894 1.00 0.00 H new ATOM 0 HE ARG A 20 4.143 0.764 -3.442 1.00 0.00 H new ATOM 0 HH11 ARG A 20 7.239 -0.628 -3.065 1.00 0.00 H new ATOM 0 HH12 ARG A 20 8.074 0.559 -4.072 1.00 0.00 H new ATOM 0 HH21 ARG A 20 5.278 2.634 -4.382 1.00 0.00 H new ATOM 0 HH22 ARG A 20 6.975 2.389 -4.811 1.00 0.00 H new ATOM 354 N CYS A 21 -0.030 1.493 0.422 1.00 0.00 N ATOM 355 CA CYS A 21 -1.395 2.059 0.231 1.00 0.00 C ATOM 356 C CYS A 21 -1.335 3.587 0.148 1.00 0.00 C ATOM 357 O CYS A 21 -0.778 4.245 1.004 1.00 0.00 O ATOM 358 CB CYS A 21 -2.174 1.618 1.471 1.00 0.00 C ATOM 359 SG CYS A 21 -3.718 2.558 1.592 1.00 0.00 S ATOM 0 H CYS A 21 0.420 1.736 1.304 1.00 0.00 H new ATOM 0 HA CYS A 21 -1.860 1.715 -0.693 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -2.390 0.551 1.415 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -1.571 1.775 2.365 1.00 0.00 H new ATOM 0 HG CYS A 21 -4.087 2.942 0.406 1.00 0.00 H new ATOM 364 N ARG A 22 -1.914 4.156 -0.873 1.00 0.00 N ATOM 365 CA ARG A 22 -1.902 5.641 -1.009 1.00 0.00 C ATOM 366 C ARG A 22 -3.271 6.210 -0.628 1.00 0.00 C ATOM 367 O ARG A 22 -4.278 5.872 -1.218 1.00 0.00 O ATOM 368 CB ARG A 22 -1.608 5.906 -2.486 1.00 0.00 C ATOM 369 CG ARG A 22 -0.450 5.019 -2.947 1.00 0.00 C ATOM 370 CD ARG A 22 0.129 5.574 -4.250 1.00 0.00 C ATOM 371 NE ARG A 22 0.134 4.420 -5.191 1.00 0.00 N ATOM 372 CZ ARG A 22 0.070 4.626 -6.478 1.00 0.00 C ATOM 373 NH1 ARG A 22 0.318 5.812 -6.961 1.00 0.00 N ATOM 374 NH2 ARG A 22 -0.244 3.647 -7.281 1.00 0.00 N ATOM 0 H ARG A 22 -2.396 3.656 -1.620 1.00 0.00 H new ATOM 0 HA ARG A 22 -1.164 6.110 -0.358 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -2.495 5.703 -3.086 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.356 6.956 -2.634 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.323 4.983 -2.179 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.798 3.997 -3.097 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.478 6.394 -4.634 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.135 5.965 -4.100 1.00 0.00 H new ATOM 0 HE ARG A 22 0.187 3.468 -4.829 1.00 0.00 H new ATOM 0 HH11 ARG A 22 0.562 6.578 -6.333 1.00 0.00 H new ATOM 0 HH12 ARG A 22 0.268 5.974 -7.967 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -0.440 2.720 -6.903 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -0.294 3.808 -8.287 1.00 0.00 H new ATOM 388 N PHE A 23 -3.321 7.065 0.357 1.00 0.00 N ATOM 389 CA PHE A 23 -4.632 7.643 0.771 1.00 0.00 C ATOM 390 C PHE A 23 -4.770 9.082 0.267 1.00 0.00 C ATOM 391 O PHE A 23 -4.055 9.968 0.688 1.00 0.00 O ATOM 392 CB PHE A 23 -4.613 7.613 2.300 1.00 0.00 C ATOM 393 CG PHE A 23 -6.029 7.623 2.822 1.00 0.00 C ATOM 394 CD1 PHE A 23 -6.908 8.643 2.441 1.00 0.00 C ATOM 395 CD2 PHE A 23 -6.463 6.612 3.687 1.00 0.00 C ATOM 396 CE1 PHE A 23 -8.222 8.652 2.924 1.00 0.00 C ATOM 397 CE2 PHE A 23 -7.777 6.621 4.170 1.00 0.00 C ATOM 398 CZ PHE A 23 -8.657 7.641 3.788 1.00 0.00 C ATOM 0 H PHE A 23 -2.514 7.388 0.891 1.00 0.00 H new ATOM 0 HA PHE A 23 -5.472 7.084 0.359 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -4.091 6.722 2.650 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -4.066 8.474 2.684 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -6.573 9.424 1.774 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -5.784 5.825 3.982 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -8.900 9.439 2.630 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -8.112 5.841 4.838 1.00 0.00 H new ATOM 0 HZ PHE A 23 -9.671 7.647 4.160 1.00 0.00 H new ATOM 408 N VAL A 24 -5.689 9.321 -0.630 1.00 0.00 N ATOM 409 CA VAL A 24 -5.873 10.706 -1.153 1.00 0.00 C ATOM 410 C VAL A 24 -6.742 11.515 -0.186 1.00 0.00 C ATOM 411 O VAL A 24 -7.882 11.173 0.073 1.00 0.00 O ATOM 412 CB VAL A 24 -6.584 10.541 -2.497 1.00 0.00 C ATOM 413 CG1 VAL A 24 -6.448 11.832 -3.306 1.00 0.00 C ATOM 414 CG2 VAL A 24 -5.950 9.385 -3.275 1.00 0.00 C ATOM 0 H VAL A 24 -6.318 8.620 -1.022 1.00 0.00 H new ATOM 0 HA VAL A 24 -4.926 11.235 -1.261 1.00 0.00 H new ATOM 0 HB VAL A 24 -7.639 10.327 -2.324 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -6.954 11.716 -4.264 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -6.900 12.656 -2.754 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -5.393 12.045 -3.477 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -6.458 9.269 -4.232 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.895 9.598 -3.447 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -6.045 8.464 -2.700 1.00 0.00 H new ATOM 424 N VAL A 25 -6.207 12.582 0.351 1.00 0.00 N ATOM 425 CA VAL A 25 -6.992 13.417 1.309 1.00 0.00 C ATOM 426 C VAL A 25 -7.966 14.327 0.554 1.00 0.00 C ATOM 427 O VAL A 25 -9.167 14.195 0.679 1.00 0.00 O ATOM 428 CB VAL A 25 -5.951 14.251 2.053 1.00 0.00 C ATOM 429 CG1 VAL A 25 -6.606 14.928 3.258 1.00 0.00 C ATOM 430 CG2 VAL A 25 -4.818 13.341 2.535 1.00 0.00 C ATOM 0 H VAL A 25 -5.259 12.911 0.167 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.590 12.808 1.987 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.548 15.011 1.383 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.863 15.523 3.789 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.414 15.576 2.917 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.009 14.168 3.928 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.075 13.936 3.066 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.221 12.582 3.205 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.350 12.857 1.678 1.00 0.00 H new ATOM 440 N ALA A 26 -7.458 15.250 -0.224 1.00 0.00 N ATOM 441 CA ALA A 26 -8.358 16.167 -0.985 1.00 0.00 C ATOM 442 C ALA A 26 -9.551 15.382 -1.533 1.00 0.00 C ATOM 443 O ALA A 26 -10.687 15.798 -1.425 1.00 0.00 O ATOM 444 CB ALA A 26 -7.501 16.712 -2.127 1.00 0.00 C ATOM 0 H ALA A 26 -6.460 15.407 -0.364 1.00 0.00 H new ATOM 0 HA ALA A 26 -8.757 16.969 -0.365 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -8.095 17.396 -2.733 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.642 17.243 -1.716 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.154 15.886 -2.747 1.00 0.00 H new ATOM 450 N GLU A 27 -9.295 14.239 -2.101 1.00 0.00 N ATOM 451 CA GLU A 27 -10.405 13.405 -2.639 1.00 0.00 C ATOM 452 C GLU A 27 -10.446 12.079 -1.881 1.00 0.00 C ATOM 453 O GLU A 27 -9.772 11.135 -2.238 1.00 0.00 O ATOM 454 CB GLU A 27 -10.059 13.176 -4.111 1.00 0.00 C ATOM 455 CG GLU A 27 -10.688 14.281 -4.961 1.00 0.00 C ATOM 456 CD GLU A 27 -9.759 15.496 -4.987 1.00 0.00 C ATOM 457 OE1 GLU A 27 -9.805 16.272 -4.046 1.00 0.00 O ATOM 458 OE2 GLU A 27 -9.018 15.631 -5.946 1.00 0.00 O ATOM 0 H GLU A 27 -8.362 13.844 -2.217 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.381 13.878 -2.530 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.977 13.171 -4.245 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -10.425 12.201 -4.434 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.861 13.920 -5.975 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -11.659 14.561 -4.552 1.00 0.00 H new ATOM 465 N GLN A 28 -11.223 12.013 -0.828 1.00 0.00 N ATOM 466 CA GLN A 28 -11.312 10.758 -0.017 1.00 0.00 C ATOM 467 C GLN A 28 -11.187 9.520 -0.909 1.00 0.00 C ATOM 468 O GLN A 28 -12.164 9.013 -1.422 1.00 0.00 O ATOM 469 CB GLN A 28 -12.695 10.808 0.632 1.00 0.00 C ATOM 470 CG GLN A 28 -12.617 10.239 2.050 1.00 0.00 C ATOM 471 CD GLN A 28 -13.902 9.472 2.365 1.00 0.00 C ATOM 472 OE1 GLN A 28 -13.873 8.277 2.583 1.00 0.00 O ATOM 473 NE2 GLN A 28 -15.039 10.112 2.395 1.00 0.00 N ATOM 0 H GLN A 28 -11.804 12.781 -0.493 1.00 0.00 H new ATOM 0 HA GLN A 28 -10.510 10.692 0.718 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -13.057 11.836 0.661 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -13.407 10.235 0.038 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -11.755 9.578 2.141 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -12.477 11.046 2.770 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -15.065 11.115 2.212 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -15.902 9.609 2.601 1.00 0.00 H new ATOM 482 N THR A 29 -9.992 9.031 -1.099 1.00 0.00 N ATOM 483 CA THR A 29 -9.814 7.827 -1.962 1.00 0.00 C ATOM 484 C THR A 29 -8.710 6.924 -1.404 1.00 0.00 C ATOM 485 O THR A 29 -7.567 7.018 -1.805 1.00 0.00 O ATOM 486 CB THR A 29 -9.417 8.375 -3.334 1.00 0.00 C ATOM 487 OG1 THR A 29 -10.499 9.120 -3.875 1.00 0.00 O ATOM 488 CG2 THR A 29 -9.076 7.215 -4.268 1.00 0.00 C ATOM 0 H THR A 29 -9.135 9.410 -0.697 1.00 0.00 H new ATOM 0 HA THR A 29 -10.719 7.222 -2.010 1.00 0.00 H new ATOM 0 HB THR A 29 -8.546 9.022 -3.230 1.00 0.00 H new ATOM 0 HG1 THR A 29 -10.522 10.009 -3.464 1.00 0.00 H new ATOM 0 HG21 THR A 29 -8.793 7.606 -5.245 1.00 0.00 H new ATOM 0 HG22 THR A 29 -8.246 6.644 -3.851 1.00 0.00 H new ATOM 0 HG23 THR A 29 -9.945 6.566 -4.374 1.00 0.00 H new ATOM 496 N PRO A 30 -9.098 6.073 -0.494 1.00 0.00 N ATOM 497 CA PRO A 30 -8.136 5.134 0.133 1.00 0.00 C ATOM 498 C PRO A 30 -7.798 3.988 -0.829 1.00 0.00 C ATOM 499 O PRO A 30 -8.639 3.180 -1.166 1.00 0.00 O ATOM 500 CB PRO A 30 -8.893 4.609 1.349 1.00 0.00 C ATOM 501 CG PRO A 30 -10.342 4.765 1.007 1.00 0.00 C ATOM 502 CD PRO A 30 -10.455 5.914 0.036 1.00 0.00 C ATOM 0 HA PRO A 30 -7.187 5.604 0.392 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -8.645 3.566 1.547 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -8.637 5.173 2.246 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -10.733 3.849 0.565 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -10.929 4.961 1.904 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -11.169 5.696 -0.758 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -10.798 6.822 0.532 1.00 0.00 H new ATOM 510 N SER A 31 -6.571 3.910 -1.266 1.00 0.00 N ATOM 511 CA SER A 31 -6.178 2.813 -2.198 1.00 0.00 C ATOM 512 C SER A 31 -5.085 1.954 -1.558 1.00 0.00 C ATOM 513 O SER A 31 -4.069 2.454 -1.122 1.00 0.00 O ATOM 514 CB SER A 31 -5.647 3.522 -3.443 1.00 0.00 C ATOM 515 OG SER A 31 -6.742 4.025 -4.198 1.00 0.00 O ATOM 0 H SER A 31 -5.823 4.558 -1.019 1.00 0.00 H new ATOM 0 HA SER A 31 -7.009 2.149 -2.435 1.00 0.00 H new ATOM 0 HB2 SER A 31 -4.983 4.337 -3.156 1.00 0.00 H new ATOM 0 HB3 SER A 31 -5.060 2.830 -4.048 1.00 0.00 H new ATOM 0 HG SER A 31 -6.406 4.482 -4.997 1.00 0.00 H new ATOM 521 N CYS A 32 -5.286 0.666 -1.489 1.00 0.00 N ATOM 522 CA CYS A 32 -4.254 -0.213 -0.864 1.00 0.00 C ATOM 523 C CYS A 32 -3.670 -1.188 -1.892 1.00 0.00 C ATOM 524 O CYS A 32 -4.284 -2.172 -2.249 1.00 0.00 O ATOM 525 CB CYS A 32 -4.998 -0.976 0.232 1.00 0.00 C ATOM 526 SG CYS A 32 -6.406 -1.855 -0.490 1.00 0.00 S ATOM 0 H CYS A 32 -6.116 0.185 -1.836 1.00 0.00 H new ATOM 0 HA CYS A 32 -3.415 0.362 -0.472 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -4.325 -1.683 0.718 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -5.343 -0.284 1.001 1.00 0.00 H new ATOM 0 HG CYS A 32 -6.045 -2.406 -1.611 1.00 0.00 H new ATOM 531 N VAL A 33 -2.478 -0.925 -2.358 1.00 0.00 N ATOM 532 CA VAL A 33 -1.842 -1.838 -3.352 1.00 0.00 C ATOM 533 C VAL A 33 -0.895 -2.808 -2.638 1.00 0.00 C ATOM 534 O VAL A 33 -0.093 -2.413 -1.815 1.00 0.00 O ATOM 535 CB VAL A 33 -1.057 -0.921 -4.290 1.00 0.00 C ATOM 536 CG1 VAL A 33 -0.395 -1.758 -5.385 1.00 0.00 C ATOM 537 CG2 VAL A 33 -2.009 0.092 -4.930 1.00 0.00 C ATOM 0 H VAL A 33 -1.916 -0.116 -2.093 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.575 -2.439 -3.891 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.291 -0.392 -3.722 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.165 -1.105 -6.054 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.284 -2.480 -4.931 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.161 -2.287 -5.952 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.449 0.746 -5.599 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.775 -0.437 -5.497 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.482 0.690 -4.151 1.00 0.00 H new ATOM 547 N CYS A 34 -0.981 -4.074 -2.942 1.00 0.00 N ATOM 548 CA CYS A 34 -0.086 -5.064 -2.274 1.00 0.00 C ATOM 549 C CYS A 34 1.059 -5.461 -3.211 1.00 0.00 C ATOM 550 O CYS A 34 0.958 -5.339 -4.415 1.00 0.00 O ATOM 551 CB CYS A 34 -0.980 -6.269 -1.981 1.00 0.00 C ATOM 552 SG CYS A 34 -2.513 -5.709 -1.198 1.00 0.00 S ATOM 0 H CYS A 34 -1.631 -4.466 -3.623 1.00 0.00 H new ATOM 0 HA CYS A 34 0.370 -4.663 -1.369 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -1.205 -6.801 -2.905 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.461 -6.970 -1.328 1.00 0.00 H new ATOM 0 HG CYS A 34 -2.550 -6.128 0.032 1.00 0.00 H new ATOM 557 N ASP A 35 2.148 -5.938 -2.668 1.00 0.00 N ATOM 558 CA ASP A 35 3.291 -6.344 -3.535 1.00 0.00 C ATOM 559 C ASP A 35 2.811 -7.314 -4.619 1.00 0.00 C ATOM 560 O ASP A 35 2.347 -8.400 -4.332 1.00 0.00 O ATOM 561 CB ASP A 35 4.277 -7.038 -2.592 1.00 0.00 C ATOM 562 CG ASP A 35 5.482 -6.125 -2.351 1.00 0.00 C ATOM 563 OD1 ASP A 35 5.375 -5.246 -1.512 1.00 0.00 O ATOM 564 OD2 ASP A 35 6.491 -6.324 -3.007 1.00 0.00 O ATOM 0 H ASP A 35 2.294 -6.063 -1.666 1.00 0.00 H new ATOM 0 HA ASP A 35 3.745 -5.495 -4.046 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.789 -7.271 -1.646 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.605 -7.984 -3.023 1.00 0.00 H new ATOM 569 N GLU A 36 2.916 -6.931 -5.863 1.00 0.00 N ATOM 570 CA GLU A 36 2.461 -7.832 -6.962 1.00 0.00 C ATOM 571 C GLU A 36 2.885 -9.275 -6.678 1.00 0.00 C ATOM 572 O GLU A 36 2.098 -10.196 -6.781 1.00 0.00 O ATOM 573 CB GLU A 36 3.160 -7.310 -8.218 1.00 0.00 C ATOM 574 CG GLU A 36 2.629 -5.917 -8.557 1.00 0.00 C ATOM 575 CD GLU A 36 1.528 -6.032 -9.614 1.00 0.00 C ATOM 576 OE1 GLU A 36 0.564 -6.738 -9.364 1.00 0.00 O ATOM 577 OE2 GLU A 36 1.669 -5.415 -10.657 1.00 0.00 O ATOM 0 H GLU A 36 3.297 -6.034 -6.166 1.00 0.00 H new ATOM 0 HA GLU A 36 1.376 -7.834 -7.067 1.00 0.00 H new ATOM 0 HB2 GLU A 36 4.237 -7.271 -8.057 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.987 -7.990 -9.052 1.00 0.00 H new ATOM 0 HG2 GLU A 36 2.237 -5.437 -7.660 1.00 0.00 H new ATOM 0 HG3 GLU A 36 3.439 -5.288 -8.927 1.00 0.00 H new ATOM 584 N GLY A 37 4.125 -9.481 -6.325 1.00 0.00 N ATOM 585 CA GLY A 37 4.598 -10.866 -6.041 1.00 0.00 C ATOM 586 C GLY A 37 4.399 -11.189 -4.558 1.00 0.00 C ATOM 587 O GLY A 37 5.304 -11.638 -3.885 1.00 0.00 O ATOM 0 H GLY A 37 4.830 -8.751 -6.221 1.00 0.00 H new ATOM 0 HA2 GLY A 37 4.049 -11.580 -6.655 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.651 -10.962 -6.305 1.00 0.00 H new ATOM 591 N TYR A 38 3.220 -10.966 -4.041 1.00 0.00 N ATOM 592 CA TYR A 38 2.972 -11.268 -2.602 1.00 0.00 C ATOM 593 C TYR A 38 1.823 -12.278 -2.458 1.00 0.00 C ATOM 594 O TYR A 38 1.150 -12.605 -3.414 1.00 0.00 O ATOM 595 CB TYR A 38 2.622 -9.914 -1.961 1.00 0.00 C ATOM 596 CG TYR A 38 1.123 -9.691 -1.947 1.00 0.00 C ATOM 597 CD1 TYR A 38 0.392 -9.713 -3.142 1.00 0.00 C ATOM 598 CD2 TYR A 38 0.466 -9.463 -0.732 1.00 0.00 C ATOM 599 CE1 TYR A 38 -0.992 -9.508 -3.121 1.00 0.00 C ATOM 600 CE2 TYR A 38 -0.918 -9.259 -0.711 1.00 0.00 C ATOM 601 CZ TYR A 38 -1.647 -9.280 -1.905 1.00 0.00 C ATOM 602 OH TYR A 38 -3.012 -9.078 -1.884 1.00 0.00 O ATOM 0 H TYR A 38 2.421 -10.589 -4.551 1.00 0.00 H new ATOM 0 HA TYR A 38 3.836 -11.722 -2.117 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.008 -9.879 -0.942 1.00 0.00 H new ATOM 0 HB3 TYR A 38 3.108 -9.110 -2.513 1.00 0.00 H new ATOM 0 HD1 TYR A 38 0.897 -9.888 -4.080 1.00 0.00 H new ATOM 0 HD2 TYR A 38 1.028 -9.445 0.190 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -1.555 -9.526 -4.043 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -1.424 -9.085 0.227 1.00 0.00 H new ATOM 0 HH TYR A 38 -3.200 -8.132 -1.712 1.00 0.00 H new ATOM 612 N ILE A 39 1.600 -12.768 -1.269 1.00 0.00 N ATOM 613 CA ILE A 39 0.498 -13.752 -1.062 1.00 0.00 C ATOM 614 C ILE A 39 -0.108 -13.579 0.334 1.00 0.00 C ATOM 615 O ILE A 39 0.594 -13.390 1.306 1.00 0.00 O ATOM 616 CB ILE A 39 1.162 -15.124 -1.193 1.00 0.00 C ATOM 617 CG1 ILE A 39 1.600 -15.342 -2.643 1.00 0.00 C ATOM 618 CG2 ILE A 39 0.165 -16.214 -0.795 1.00 0.00 C ATOM 619 CD1 ILE A 39 3.086 -15.009 -2.781 1.00 0.00 C ATOM 0 H ILE A 39 2.132 -12.530 -0.432 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.313 -13.622 -1.779 1.00 0.00 H new ATOM 0 HB ILE A 39 2.032 -15.170 -0.538 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.419 -16.376 -2.938 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.012 -14.713 -3.311 1.00 0.00 H new ATOM 0 HG21 ILE A 39 0.638 -17.192 -0.888 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.149 -16.060 0.237 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.705 -16.168 -1.450 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.399 -15.164 -3.813 1.00 0.00 H new ATOM 0 HD12 ILE A 39 3.253 -13.968 -2.503 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.667 -15.657 -2.125 1.00 0.00 H new ATOM 631 N GLY A 40 -1.408 -13.643 0.440 1.00 0.00 N ATOM 632 CA GLY A 40 -2.055 -13.482 1.773 1.00 0.00 C ATOM 633 C GLY A 40 -3.196 -12.468 1.671 1.00 0.00 C ATOM 634 O GLY A 40 -3.239 -11.658 0.767 1.00 0.00 O ATOM 0 H GLY A 40 -2.049 -13.800 -0.338 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.438 -14.441 2.121 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.322 -13.147 2.506 1.00 0.00 H new ATOM 638 N ALA A 41 -4.120 -12.503 2.593 1.00 0.00 N ATOM 639 CA ALA A 41 -5.256 -11.539 2.547 1.00 0.00 C ATOM 640 C ALA A 41 -4.785 -10.148 2.980 1.00 0.00 C ATOM 641 O ALA A 41 -5.050 -9.160 2.325 1.00 0.00 O ATOM 642 CB ALA A 41 -6.288 -12.090 3.532 1.00 0.00 C ATOM 0 H ALA A 41 -4.137 -13.157 3.375 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.670 -11.436 1.544 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.157 -11.432 3.554 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.595 -13.087 3.217 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.848 -12.144 4.528 1.00 0.00 H new ATOM 648 N ARG A 42 -4.085 -10.063 4.079 1.00 0.00 N ATOM 649 CA ARG A 42 -3.595 -8.735 4.549 1.00 0.00 C ATOM 650 C ARG A 42 -2.136 -8.534 4.131 1.00 0.00 C ATOM 651 O ARG A 42 -1.418 -7.739 4.707 1.00 0.00 O ATOM 652 CB ARG A 42 -3.718 -8.780 6.071 1.00 0.00 C ATOM 653 CG ARG A 42 -5.153 -9.142 6.457 1.00 0.00 C ATOM 654 CD ARG A 42 -5.657 -8.167 7.523 1.00 0.00 C ATOM 655 NE ARG A 42 -7.128 -8.089 7.305 1.00 0.00 N ATOM 656 CZ ARG A 42 -7.794 -7.041 7.708 1.00 0.00 C ATOM 657 NH1 ARG A 42 -7.980 -6.840 8.985 1.00 0.00 N ATOM 658 NH2 ARG A 42 -8.271 -6.197 6.837 1.00 0.00 N ATOM 0 H ARG A 42 -3.832 -10.854 4.671 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.164 -7.910 4.122 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -3.024 -9.514 6.481 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -3.448 -7.814 6.497 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -5.798 -9.103 5.579 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -5.192 -10.163 6.836 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -5.425 -8.524 8.526 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -5.189 -7.188 7.416 1.00 0.00 H new ATOM 0 HE ARG A 42 -7.616 -8.855 6.840 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -7.605 -7.501 9.665 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -8.500 -6.022 9.302 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -8.124 -6.355 5.840 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -8.791 -5.378 7.152 1.00 0.00 H new ATOM 672 N CYS A 43 -1.692 -9.250 3.135 1.00 0.00 N ATOM 673 CA CYS A 43 -0.278 -9.102 2.681 1.00 0.00 C ATOM 674 C CYS A 43 0.672 -9.555 3.789 1.00 0.00 C ATOM 675 O CYS A 43 1.467 -8.784 4.287 1.00 0.00 O ATOM 676 CB CYS A 43 -0.092 -7.606 2.403 1.00 0.00 C ATOM 677 SG CYS A 43 -1.535 -6.952 1.526 1.00 0.00 S ATOM 0 H CYS A 43 -2.246 -9.931 2.615 1.00 0.00 H new ATOM 0 HA CYS A 43 -0.065 -9.706 1.799 1.00 0.00 H new ATOM 0 HB2 CYS A 43 0.048 -7.068 3.341 1.00 0.00 H new ATOM 0 HB3 CYS A 43 0.807 -7.448 1.808 1.00 0.00 H new ATOM 0 HG CYS A 43 -1.990 -5.909 2.155 1.00 0.00 H new ATOM 682 N GLU A 44 0.595 -10.795 4.187 1.00 0.00 N ATOM 683 CA GLU A 44 1.494 -11.286 5.271 1.00 0.00 C ATOM 684 C GLU A 44 2.658 -12.088 4.684 1.00 0.00 C ATOM 685 O GLU A 44 3.745 -12.109 5.226 1.00 0.00 O ATOM 686 CB GLU A 44 0.613 -12.181 6.142 1.00 0.00 C ATOM 687 CG GLU A 44 -0.639 -11.412 6.566 1.00 0.00 C ATOM 688 CD GLU A 44 -1.797 -12.391 6.765 1.00 0.00 C ATOM 689 OE1 GLU A 44 -1.743 -13.155 7.714 1.00 0.00 O ATOM 690 OE2 GLU A 44 -2.716 -12.360 5.964 1.00 0.00 O ATOM 0 H GLU A 44 -0.050 -11.489 3.810 1.00 0.00 H new ATOM 0 HA GLU A 44 1.934 -10.466 5.839 1.00 0.00 H new ATOM 0 HB2 GLU A 44 0.332 -13.078 5.591 1.00 0.00 H new ATOM 0 HB3 GLU A 44 1.167 -12.508 7.022 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -0.448 -10.866 7.490 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.899 -10.674 5.808 1.00 0.00 H new ATOM 697 N ARG A 45 2.441 -12.754 3.583 1.00 0.00 N ATOM 698 CA ARG A 45 3.541 -13.554 2.972 1.00 0.00 C ATOM 699 C ARG A 45 4.040 -12.885 1.689 1.00 0.00 C ATOM 700 O ARG A 45 3.386 -12.029 1.128 1.00 0.00 O ATOM 701 CB ARG A 45 2.915 -14.914 2.658 1.00 0.00 C ATOM 702 CG ARG A 45 3.281 -15.913 3.759 1.00 0.00 C ATOM 703 CD ARG A 45 3.224 -17.335 3.198 1.00 0.00 C ATOM 704 NE ARG A 45 2.065 -17.972 3.882 1.00 0.00 N ATOM 705 CZ ARG A 45 2.262 -18.747 4.915 1.00 0.00 C ATOM 706 NH1 ARG A 45 3.086 -19.755 4.828 1.00 0.00 N ATOM 707 NH2 ARG A 45 1.633 -18.513 6.035 1.00 0.00 N ATOM 0 H ARG A 45 1.553 -12.779 3.081 1.00 0.00 H new ATOM 0 HA ARG A 45 4.401 -13.643 3.636 1.00 0.00 H new ATOM 0 HB2 ARG A 45 1.832 -14.819 2.584 1.00 0.00 H new ATOM 0 HB3 ARG A 45 3.270 -15.275 1.693 1.00 0.00 H new ATOM 0 HG2 ARG A 45 4.280 -15.701 4.140 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.592 -15.814 4.598 1.00 0.00 H new ATOM 0 HD2 ARG A 45 3.089 -17.328 2.116 1.00 0.00 H new ATOM 0 HD3 ARG A 45 4.148 -17.877 3.400 1.00 0.00 H new ATOM 0 HE ARG A 45 1.117 -17.803 3.544 1.00 0.00 H new ATOM 0 HH11 ARG A 45 3.577 -19.938 3.953 1.00 0.00 H new ATOM 0 HH12 ARG A 45 3.239 -20.360 5.635 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.988 -17.726 6.103 1.00 0.00 H new ATOM 0 HH22 ARG A 45 1.786 -19.118 6.842 1.00 0.00 H new ATOM 721 N VAL A 46 5.196 -13.270 1.221 1.00 0.00 N ATOM 722 CA VAL A 46 5.739 -12.658 -0.025 1.00 0.00 C ATOM 723 C VAL A 46 6.600 -13.677 -0.779 1.00 0.00 C ATOM 724 O VAL A 46 7.031 -14.669 -0.225 1.00 0.00 O ATOM 725 CB VAL A 46 6.591 -11.480 0.448 1.00 0.00 C ATOM 726 CG1 VAL A 46 7.817 -12.003 1.199 1.00 0.00 C ATOM 727 CG2 VAL A 46 7.046 -10.665 -0.764 1.00 0.00 C ATOM 0 H VAL A 46 5.788 -13.982 1.648 1.00 0.00 H new ATOM 0 HA VAL A 46 4.951 -12.339 -0.707 1.00 0.00 H new ATOM 0 HB VAL A 46 6.001 -10.849 1.113 1.00 0.00 H new ATOM 0 HG11 VAL A 46 8.424 -11.162 1.536 1.00 0.00 H new ATOM 0 HG12 VAL A 46 7.494 -12.586 2.062 1.00 0.00 H new ATOM 0 HG13 VAL A 46 8.408 -12.634 0.536 1.00 0.00 H new ATOM 0 HG21 VAL A 46 7.654 -9.824 -0.430 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.636 -11.298 -1.427 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.173 -10.291 -1.300 1.00 0.00 H new ATOM 737 N ASP A 47 6.851 -13.442 -2.038 1.00 0.00 N ATOM 738 CA ASP A 47 7.681 -14.401 -2.822 1.00 0.00 C ATOM 739 C ASP A 47 8.666 -13.645 -3.717 1.00 0.00 C ATOM 740 O ASP A 47 8.853 -13.979 -4.869 1.00 0.00 O ATOM 741 CB ASP A 47 6.681 -15.187 -3.670 1.00 0.00 C ATOM 742 CG ASP A 47 7.049 -16.672 -3.650 1.00 0.00 C ATOM 743 OD1 ASP A 47 8.032 -17.027 -4.279 1.00 0.00 O ATOM 744 OD2 ASP A 47 6.342 -17.429 -3.004 1.00 0.00 O ATOM 0 H ASP A 47 6.518 -12.629 -2.557 1.00 0.00 H new ATOM 0 HA ASP A 47 8.274 -15.052 -2.180 1.00 0.00 H new ATOM 0 HB2 ASP A 47 5.671 -15.047 -3.284 1.00 0.00 H new ATOM 0 HB3 ASP A 47 6.685 -14.814 -4.694 1.00 0.00 H new ATOM 749 N LEU A 48 9.298 -12.629 -3.196 1.00 0.00 N ATOM 750 CA LEU A 48 10.272 -11.858 -4.021 1.00 0.00 C ATOM 751 C LEU A 48 11.702 -12.164 -3.569 1.00 0.00 C ATOM 752 O LEU A 48 11.940 -13.081 -2.809 1.00 0.00 O ATOM 753 CB LEU A 48 9.931 -10.388 -3.769 1.00 0.00 C ATOM 754 CG LEU A 48 9.686 -9.686 -5.105 1.00 0.00 C ATOM 755 CD1 LEU A 48 8.328 -10.111 -5.663 1.00 0.00 C ATOM 756 CD2 LEU A 48 9.698 -8.171 -4.894 1.00 0.00 C ATOM 0 H LEU A 48 9.183 -12.300 -2.237 1.00 0.00 H new ATOM 0 HA LEU A 48 10.211 -12.113 -5.079 1.00 0.00 H new ATOM 0 HB2 LEU A 48 9.045 -10.312 -3.138 1.00 0.00 H new ATOM 0 HB3 LEU A 48 10.746 -9.901 -3.234 1.00 0.00 H new ATOM 0 HG LEU A 48 10.471 -9.962 -5.809 1.00 0.00 H new ATOM 0 HD11 LEU A 48 8.153 -9.611 -6.615 1.00 0.00 H new ATOM 0 HD12 LEU A 48 8.318 -11.191 -5.813 1.00 0.00 H new ATOM 0 HD13 LEU A 48 7.543 -9.835 -4.959 1.00 0.00 H new ATOM 0 HD21 LEU A 48 9.523 -7.670 -5.846 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.913 -7.896 -4.190 1.00 0.00 H new ATOM 0 HD23 LEU A 48 10.666 -7.867 -4.496 1.00 0.00 H new ATOM 768 N PHE A 49 12.656 -11.404 -4.031 1.00 0.00 N ATOM 769 CA PHE A 49 14.070 -11.656 -3.626 1.00 0.00 C ATOM 770 C PHE A 49 14.283 -11.248 -2.166 1.00 0.00 C ATOM 771 O PHE A 49 15.321 -11.500 -1.588 1.00 0.00 O ATOM 772 CB PHE A 49 14.913 -10.782 -4.557 1.00 0.00 C ATOM 773 CG PHE A 49 15.723 -11.662 -5.478 1.00 0.00 C ATOM 774 CD1 PHE A 49 15.073 -12.544 -6.351 1.00 0.00 C ATOM 775 CD2 PHE A 49 17.121 -11.599 -5.459 1.00 0.00 C ATOM 776 CE1 PHE A 49 15.824 -13.361 -7.206 1.00 0.00 C ATOM 777 CE2 PHE A 49 17.871 -12.416 -6.313 1.00 0.00 C ATOM 778 CZ PHE A 49 17.222 -13.297 -7.187 1.00 0.00 C ATOM 0 H PHE A 49 12.520 -10.621 -4.670 1.00 0.00 H new ATOM 0 HA PHE A 49 14.339 -12.709 -3.703 1.00 0.00 H new ATOM 0 HB2 PHE A 49 14.267 -10.125 -5.140 1.00 0.00 H new ATOM 0 HB3 PHE A 49 15.575 -10.143 -3.973 1.00 0.00 H new ATOM 0 HD1 PHE A 49 13.994 -12.594 -6.365 1.00 0.00 H new ATOM 0 HD2 PHE A 49 17.621 -10.920 -4.785 1.00 0.00 H new ATOM 0 HE1 PHE A 49 15.324 -14.041 -7.880 1.00 0.00 H new ATOM 0 HE2 PHE A 49 18.950 -12.367 -6.298 1.00 0.00 H new ATOM 0 HZ PHE A 49 17.800 -13.927 -7.846 1.00 0.00 H new ATOM 788 N TYR A 50 13.308 -10.622 -1.566 1.00 0.00 N ATOM 789 CA TYR A 50 13.457 -10.201 -0.143 1.00 0.00 C ATOM 790 C TYR A 50 13.187 -11.386 0.789 1.00 0.00 C ATOM 791 O TYR A 50 12.161 -12.023 0.624 1.00 0.00 O ATOM 792 CB TYR A 50 12.407 -9.109 0.061 1.00 0.00 C ATOM 793 CG TYR A 50 12.896 -8.127 1.099 1.00 0.00 C ATOM 794 CD1 TYR A 50 12.985 -8.515 2.442 1.00 0.00 C ATOM 795 CD2 TYR A 50 13.263 -6.830 0.720 1.00 0.00 C ATOM 796 CE1 TYR A 50 13.440 -7.606 3.405 1.00 0.00 C ATOM 797 CE2 TYR A 50 13.717 -5.921 1.683 1.00 0.00 C ATOM 798 CZ TYR A 50 13.805 -6.308 3.025 1.00 0.00 C ATOM 799 OH TYR A 50 14.253 -5.412 3.975 1.00 0.00 O ATOM 800 OXT TYR A 50 14.015 -11.635 1.651 1.00 0.00 O ATOM 0 H TYR A 50 12.415 -10.384 -1.998 1.00 0.00 H new ATOM 0 HA TYR A 50 14.463 -9.844 0.079 1.00 0.00 H new ATOM 0 HB2 TYR A 50 12.215 -8.594 -0.880 1.00 0.00 H new ATOM 0 HB3 TYR A 50 11.464 -9.552 0.380 1.00 0.00 H new ATOM 0 HD1 TYR A 50 12.703 -9.515 2.735 1.00 0.00 H new ATOM 0 HD2 TYR A 50 13.196 -6.531 -0.316 1.00 0.00 H new ATOM 0 HE1 TYR A 50 13.510 -7.905 4.440 1.00 0.00 H new ATOM 0 HE2 TYR A 50 13.999 -4.921 1.390 1.00 0.00 H new ATOM 0 HH TYR A 50 14.465 -4.558 3.544 1.00 0.00 H new TER 810 TYR A 50