USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 577 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 7 CYS SG : rot 179:sc= -3.32! USER MOD Set 1.2: A 24 CYS SG : rot 180:sc= 0.0902 USER MOD Single : A 1 MET CE :methyl -135:sc= 0 (180deg=-0.0387) USER MOD Single : A 1 MET N :NH3+ -122:sc= 1.44 (180deg=-0.162) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot -42:sc= -0.0452 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0.0539 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.167) USER MOD Single : A 26 CYS SG : rot -12:sc= 0.188 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.543 X(o=-0.54,f=-0.55) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.632 K(o=-0.63,f=-1.6) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -0.198 X(o=-0.2,f=-0.49) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc=-0.000465 X(o=-0.00047,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.617 -13.082 6.422 1.00 0.00 N ATOM 2 CA MET A 1 -7.670 -12.372 5.526 1.00 0.00 C ATOM 3 C MET A 1 -7.598 -10.887 5.862 1.00 0.00 C ATOM 4 O MET A 1 -8.388 -10.383 6.661 1.00 0.00 O ATOM 5 CB MET A 1 -8.129 -12.566 4.080 1.00 0.00 C ATOM 6 CG MET A 1 -9.538 -12.057 3.816 1.00 0.00 C ATOM 7 SD MET A 1 -10.805 -13.270 4.233 1.00 0.00 S ATOM 8 CE MET A 1 -10.711 -14.358 2.813 1.00 0.00 C ATOM 0 H1 MET A 1 -8.117 -13.845 6.921 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.007 -12.412 7.116 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.392 -13.486 5.858 1.00 0.00 H new ATOM 0 HA MET A 1 -6.671 -12.786 5.662 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.435 -12.052 3.415 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.082 -13.626 3.832 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.706 -11.149 4.394 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.631 -11.787 2.764 1.00 0.00 H new ATOM 0 HE1 MET A 1 -11.718 -14.589 2.464 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.154 -13.867 2.015 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.204 -15.281 3.095 1.00 0.00 H new ATOM 20 N TYR A 2 -6.645 -10.191 5.250 1.00 0.00 N ATOM 21 CA TYR A 2 -6.470 -8.762 5.484 1.00 0.00 C ATOM 22 C TYR A 2 -6.259 -8.011 4.173 1.00 0.00 C ATOM 23 O TYR A 2 -5.856 -8.594 3.165 1.00 0.00 O ATOM 24 CB TYR A 2 -5.284 -8.514 6.419 1.00 0.00 C ATOM 25 CG TYR A 2 -5.575 -8.829 7.869 1.00 0.00 C ATOM 26 CD1 TYR A 2 -6.438 -8.035 8.614 1.00 0.00 C ATOM 27 CD2 TYR A 2 -4.981 -9.918 8.495 1.00 0.00 C ATOM 28 CE1 TYR A 2 -6.703 -8.320 9.940 1.00 0.00 C ATOM 29 CE2 TYR A 2 -5.241 -10.209 9.819 1.00 0.00 C ATOM 30 CZ TYR A 2 -6.102 -9.406 10.537 1.00 0.00 C ATOM 31 OH TYR A 2 -6.365 -9.694 11.857 1.00 0.00 O ATOM 0 H TYR A 2 -5.982 -10.594 4.588 1.00 0.00 H new ATOM 0 HA TYR A 2 -7.380 -8.389 5.953 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -4.439 -9.118 6.088 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -4.981 -7.470 6.337 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -6.909 -7.181 8.149 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -4.304 -10.547 7.936 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -7.378 -7.694 10.505 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -4.773 -11.061 10.290 1.00 0.00 H new ATOM 0 HH TYR A 2 -5.863 -10.492 12.124 1.00 0.00 H new ATOM 41 N ILE A 3 -6.532 -6.712 4.201 1.00 0.00 N ATOM 42 CA ILE A 3 -6.378 -5.859 3.030 1.00 0.00 C ATOM 43 C ILE A 3 -5.543 -4.628 3.372 1.00 0.00 C ATOM 44 O ILE A 3 -5.545 -4.169 4.514 1.00 0.00 O ATOM 45 CB ILE A 3 -7.748 -5.392 2.498 1.00 0.00 C ATOM 46 CG1 ILE A 3 -8.564 -4.755 3.623 1.00 0.00 C ATOM 47 CG2 ILE A 3 -8.510 -6.554 1.881 1.00 0.00 C ATOM 48 CD1 ILE A 3 -9.464 -3.632 3.155 1.00 0.00 C ATOM 0 H ILE A 3 -6.865 -6.223 5.032 1.00 0.00 H new ATOM 0 HA ILE A 3 -5.876 -6.448 2.263 1.00 0.00 H new ATOM 0 HB ILE A 3 -7.580 -4.645 1.723 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -9.173 -5.523 4.099 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -7.883 -4.372 4.383 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -9.474 -6.202 1.512 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -7.934 -6.968 1.054 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.670 -7.325 2.634 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -10.013 -3.227 4.005 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -8.859 -2.845 2.705 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -10.169 -4.014 2.417 1.00 0.00 H new ATOM 60 N ILE A 4 -4.845 -4.085 2.381 1.00 0.00 N ATOM 61 CA ILE A 4 -4.026 -2.896 2.591 1.00 0.00 C ATOM 62 C ILE A 4 -4.532 -1.741 1.725 1.00 0.00 C ATOM 63 O ILE A 4 -5.111 -1.957 0.663 1.00 0.00 O ATOM 64 CB ILE A 4 -2.532 -3.192 2.303 1.00 0.00 C ATOM 65 CG1 ILE A 4 -1.888 -3.858 3.522 1.00 0.00 C ATOM 66 CG2 ILE A 4 -1.763 -1.931 1.939 1.00 0.00 C ATOM 67 CD1 ILE A 4 -1.958 -5.368 3.501 1.00 0.00 C ATOM 0 H ILE A 4 -4.829 -4.447 1.428 1.00 0.00 H new ATOM 0 HA ILE A 4 -4.110 -2.603 3.638 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.489 -3.866 1.447 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -0.843 -3.553 3.581 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -2.378 -3.493 4.425 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -0.721 -2.184 1.745 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -2.200 -1.483 1.046 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.817 -1.221 2.764 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -1.481 -5.767 4.396 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -3.001 -5.684 3.474 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -1.442 -5.744 2.617 1.00 0.00 H new ATOM 79 N PHE A 5 -4.345 -0.514 2.202 1.00 0.00 N ATOM 80 CA PHE A 5 -4.811 0.664 1.479 1.00 0.00 C ATOM 81 C PHE A 5 -3.806 1.802 1.611 1.00 0.00 C ATOM 82 O PHE A 5 -2.697 1.599 2.105 1.00 0.00 O ATOM 83 CB PHE A 5 -6.177 1.113 2.007 1.00 0.00 C ATOM 84 CG PHE A 5 -6.511 0.602 3.380 1.00 0.00 C ATOM 85 CD1 PHE A 5 -7.041 -0.666 3.555 1.00 0.00 C ATOM 86 CD2 PHE A 5 -6.324 1.406 4.493 1.00 0.00 C ATOM 87 CE1 PHE A 5 -7.356 -1.131 4.818 1.00 0.00 C ATOM 88 CE2 PHE A 5 -6.647 0.950 5.755 1.00 0.00 C ATOM 89 CZ PHE A 5 -7.157 -0.321 5.919 1.00 0.00 C ATOM 0 H PHE A 5 -3.875 -0.310 3.084 1.00 0.00 H new ATOM 0 HA PHE A 5 -4.910 0.400 0.426 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -6.207 2.202 2.021 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -6.948 0.782 1.312 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -7.210 -1.298 2.696 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -5.921 2.401 4.372 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -7.757 -2.126 4.944 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -6.500 1.588 6.614 1.00 0.00 H new ATOM 0 HZ PHE A 5 -7.400 -0.682 6.907 1.00 0.00 H new ATOM 99 N ARG A 6 -4.188 2.998 1.167 1.00 0.00 N ATOM 100 CA ARG A 6 -3.287 4.145 1.229 1.00 0.00 C ATOM 101 C ARG A 6 -4.031 5.436 1.564 1.00 0.00 C ATOM 102 O ARG A 6 -4.941 5.848 0.842 1.00 0.00 O ATOM 103 CB ARG A 6 -2.548 4.303 -0.101 1.00 0.00 C ATOM 104 CG ARG A 6 -1.190 3.618 -0.125 1.00 0.00 C ATOM 105 CD ARG A 6 -0.098 4.545 -0.642 1.00 0.00 C ATOM 106 NE ARG A 6 -0.477 5.953 -0.551 1.00 0.00 N ATOM 107 CZ ARG A 6 -0.566 6.763 -1.603 1.00 0.00 C ATOM 108 NH1 ARG A 6 -0.303 6.306 -2.820 1.00 0.00 N ATOM 109 NH2 ARG A 6 -0.918 8.030 -1.437 1.00 0.00 N ATOM 0 H ARG A 6 -5.104 3.196 0.765 1.00 0.00 H new ATOM 0 HA ARG A 6 -2.570 3.957 2.028 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -3.166 3.896 -0.902 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -2.415 5.364 -0.310 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -0.935 3.281 0.880 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -1.242 2.730 -0.755 1.00 0.00 H new ATOM 0 HD2 ARG A 6 0.816 4.379 -0.072 1.00 0.00 H new ATOM 0 HD3 ARG A 6 0.125 4.297 -1.680 1.00 0.00 H new ATOM 0 HE ARG A 6 -0.685 6.337 0.371 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -0.032 5.332 -2.951 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -0.372 6.929 -3.625 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -1.121 8.385 -0.502 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -0.986 8.650 -2.244 1.00 0.00 H new ATOM 123 N CYS A 7 -3.625 6.079 2.656 1.00 0.00 N ATOM 124 CA CYS A 7 -4.223 7.341 3.065 1.00 0.00 C ATOM 125 C CYS A 7 -3.661 8.488 2.236 1.00 0.00 C ATOM 126 O CYS A 7 -2.548 8.394 1.714 1.00 0.00 O ATOM 127 CB CYS A 7 -3.980 7.597 4.552 1.00 0.00 C ATOM 128 SG CYS A 7 -4.917 8.990 5.225 1.00 0.00 S ATOM 0 H CYS A 7 -2.884 5.744 3.272 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.298 7.280 2.896 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -4.236 6.697 5.111 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -2.917 7.778 4.709 1.00 0.00 H new ATOM 0 HG CYS A 7 -4.665 9.110 6.495 1.00 0.00 H new ATOM 134 N ASP A 8 -4.402 9.594 2.186 1.00 0.00 N ATOM 135 CA ASP A 8 -4.007 10.750 1.385 1.00 0.00 C ATOM 136 C ASP A 8 -2.674 11.317 1.851 1.00 0.00 C ATOM 137 O ASP A 8 -1.969 11.975 1.084 1.00 0.00 O ATOM 138 CB ASP A 8 -5.085 11.834 1.457 1.00 0.00 C ATOM 139 CG ASP A 8 -4.763 13.028 0.580 1.00 0.00 C ATOM 140 OD1 ASP A 8 -4.946 12.927 -0.651 1.00 0.00 O ATOM 141 OD2 ASP A 8 -4.327 14.064 1.125 1.00 0.00 O ATOM 0 H ASP A 8 -5.280 9.713 2.691 1.00 0.00 H new ATOM 0 HA ASP A 8 -3.894 10.419 0.353 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -6.043 11.411 1.153 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -5.196 12.164 2.490 1.00 0.00 H new ATOM 146 N CYS A 9 -2.314 11.037 3.097 1.00 0.00 N ATOM 147 CA CYS A 9 -1.033 11.476 3.634 1.00 0.00 C ATOM 148 C CYS A 9 0.099 10.656 3.021 1.00 0.00 C ATOM 149 O CYS A 9 1.262 10.794 3.401 1.00 0.00 O ATOM 150 CB CYS A 9 -1.019 11.331 5.156 1.00 0.00 C ATOM 151 SG CYS A 9 0.393 12.124 5.962 1.00 0.00 S ATOM 0 H CYS A 9 -2.890 10.509 3.753 1.00 0.00 H new ATOM 0 HA CYS A 9 -0.888 12.526 3.381 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.939 11.755 5.559 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -1.019 10.271 5.409 1.00 0.00 H new ATOM 0 HG CYS A 9 1.470 11.899 5.270 1.00 0.00 H new ATOM 157 N GLY A 10 -0.262 9.794 2.074 1.00 0.00 N ATOM 158 CA GLY A 10 0.708 8.930 1.433 1.00 0.00 C ATOM 159 C GLY A 10 1.024 7.717 2.282 1.00 0.00 C ATOM 160 O GLY A 10 1.965 6.977 1.995 1.00 0.00 O ATOM 0 H GLY A 10 -1.218 9.680 1.739 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.324 8.607 0.465 1.00 0.00 H new ATOM 0 HA3 GLY A 10 1.624 9.489 1.242 1.00 0.00 H new ATOM 164 N ARG A 11 0.285 7.566 3.377 1.00 0.00 N ATOM 165 CA ARG A 11 0.488 6.440 4.286 1.00 0.00 C ATOM 166 C ARG A 11 -0.273 5.202 3.813 1.00 0.00 C ATOM 167 O ARG A 11 -0.845 5.192 2.723 1.00 0.00 O ATOM 168 CB ARG A 11 0.091 6.825 5.720 1.00 0.00 C ATOM 169 CG ARG A 11 -1.326 6.432 6.110 1.00 0.00 C ATOM 170 CD ARG A 11 -1.799 7.194 7.338 1.00 0.00 C ATOM 171 NE ARG A 11 -0.842 7.108 8.438 1.00 0.00 N ATOM 172 CZ ARG A 11 -0.908 7.858 9.534 1.00 0.00 C ATOM 173 NH1 ARG A 11 -1.882 8.746 9.677 1.00 0.00 N ATOM 174 NH2 ARG A 11 0.003 7.720 10.488 1.00 0.00 N ATOM 0 H ARG A 11 -0.458 8.206 3.657 1.00 0.00 H new ATOM 0 HA ARG A 11 1.549 6.190 4.284 1.00 0.00 H new ATOM 0 HB2 ARG A 11 0.788 6.357 6.415 1.00 0.00 H new ATOM 0 HB3 ARG A 11 0.201 7.903 5.837 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -2.001 6.628 5.277 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -1.366 5.361 6.308 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -1.958 8.240 7.077 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -2.761 6.797 7.663 1.00 0.00 H new ATOM 0 HE ARG A 11 -0.080 6.434 8.361 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -2.584 8.856 8.945 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -1.930 9.320 10.519 1.00 0.00 H new ATOM 0 HH21 ARG A 11 0.754 7.039 10.381 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -0.048 8.295 11.329 1.00 0.00 H new ATOM 188 N ALA A 12 -0.275 4.163 4.644 1.00 0.00 N ATOM 189 CA ALA A 12 -0.968 2.921 4.323 1.00 0.00 C ATOM 190 C ALA A 12 -1.351 2.171 5.594 1.00 0.00 C ATOM 191 O ALA A 12 -0.673 2.286 6.615 1.00 0.00 O ATOM 192 CB ALA A 12 -0.095 2.049 3.436 1.00 0.00 C ATOM 0 H ALA A 12 0.198 4.158 5.548 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.883 3.166 3.784 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -0.623 1.124 3.203 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.131 2.581 2.512 1.00 0.00 H new ATOM 0 HB3 ALA A 12 0.834 1.815 3.956 1.00 0.00 H new ATOM 198 N LEU A 13 -2.440 1.406 5.535 1.00 0.00 N ATOM 199 CA LEU A 13 -2.889 0.639 6.695 1.00 0.00 C ATOM 200 C LEU A 13 -3.438 -0.727 6.284 1.00 0.00 C ATOM 201 O LEU A 13 -3.443 -1.075 5.103 1.00 0.00 O ATOM 202 CB LEU A 13 -3.954 1.417 7.470 1.00 0.00 C ATOM 203 CG LEU A 13 -3.423 2.258 8.634 1.00 0.00 C ATOM 204 CD1 LEU A 13 -4.250 3.525 8.796 1.00 0.00 C ATOM 205 CD2 LEU A 13 -3.429 1.446 9.921 1.00 0.00 C ATOM 0 H LEU A 13 -3.023 1.301 4.704 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.024 0.477 7.338 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.479 2.074 6.777 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.688 0.711 7.857 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.395 2.546 8.413 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.859 4.111 9.628 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.197 4.114 7.880 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.288 3.259 8.996 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.049 2.058 10.739 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.447 1.130 10.147 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.795 0.568 9.800 1.00 0.00 H new ATOM 217 N TYR A 14 -3.893 -1.497 7.272 1.00 0.00 N ATOM 218 CA TYR A 14 -4.439 -2.829 7.025 1.00 0.00 C ATOM 219 C TYR A 14 -5.737 -3.042 7.807 1.00 0.00 C ATOM 220 O TYR A 14 -5.867 -2.593 8.947 1.00 0.00 O ATOM 221 CB TYR A 14 -3.413 -3.902 7.405 1.00 0.00 C ATOM 222 CG TYR A 14 -3.279 -4.129 8.894 1.00 0.00 C ATOM 223 CD1 TYR A 14 -2.500 -3.287 9.678 1.00 0.00 C ATOM 224 CD2 TYR A 14 -3.928 -5.190 9.516 1.00 0.00 C ATOM 225 CE1 TYR A 14 -2.375 -3.493 11.040 1.00 0.00 C ATOM 226 CE2 TYR A 14 -3.809 -5.401 10.876 1.00 0.00 C ATOM 227 CZ TYR A 14 -3.032 -4.551 11.632 1.00 0.00 C ATOM 228 OH TYR A 14 -2.910 -4.759 12.988 1.00 0.00 O ATOM 0 H TYR A 14 -3.894 -1.219 8.253 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.663 -2.912 5.961 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -3.693 -4.842 6.929 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -2.441 -3.618 7.003 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -1.984 -2.458 9.216 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -4.535 -5.860 8.926 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.766 -2.829 11.636 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -4.322 -6.228 11.344 1.00 0.00 H new ATOM 0 HH TYR A 14 -3.436 -5.544 13.247 1.00 0.00 H new ATOM 238 N SER A 15 -6.694 -3.725 7.184 1.00 0.00 N ATOM 239 CA SER A 15 -7.979 -4.008 7.820 1.00 0.00 C ATOM 240 C SER A 15 -8.615 -5.253 7.211 1.00 0.00 C ATOM 241 O SER A 15 -8.006 -5.924 6.383 1.00 0.00 O ATOM 242 CB SER A 15 -8.927 -2.816 7.667 1.00 0.00 C ATOM 243 OG SER A 15 -9.942 -2.839 8.655 1.00 0.00 O ATOM 0 H SER A 15 -6.604 -4.094 6.237 1.00 0.00 H new ATOM 0 HA SER A 15 -7.801 -4.185 8.881 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.362 -1.887 7.743 1.00 0.00 H new ATOM 0 HB3 SER A 15 -9.380 -2.833 6.676 1.00 0.00 H new ATOM 0 HG SER A 15 -10.532 -2.066 8.535 1.00 0.00 H new ATOM 249 N ARG A 16 -9.834 -5.567 7.634 1.00 0.00 N ATOM 250 CA ARG A 16 -10.544 -6.724 7.101 1.00 0.00 C ATOM 251 C ARG A 16 -11.094 -6.426 5.710 1.00 0.00 C ATOM 252 O ARG A 16 -11.432 -5.283 5.398 1.00 0.00 O ATOM 253 CB ARG A 16 -11.678 -7.139 8.039 1.00 0.00 C ATOM 254 CG ARG A 16 -11.360 -8.378 8.860 1.00 0.00 C ATOM 255 CD ARG A 16 -12.525 -8.776 9.751 1.00 0.00 C ATOM 256 NE ARG A 16 -12.234 -9.980 10.527 1.00 0.00 N ATOM 257 CZ ARG A 16 -13.167 -10.811 10.982 1.00 0.00 C ATOM 258 NH1 ARG A 16 -14.449 -10.572 10.742 1.00 0.00 N ATOM 259 NH2 ARG A 16 -12.817 -11.884 11.679 1.00 0.00 N ATOM 0 H ARG A 16 -10.349 -5.041 8.340 1.00 0.00 H new ATOM 0 HA ARG A 16 -9.836 -7.549 7.024 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -11.902 -6.313 8.714 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -12.577 -7.323 7.451 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -11.114 -9.204 8.192 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -10.479 -8.191 9.474 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -12.760 -7.955 10.429 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -13.410 -8.945 9.137 1.00 0.00 H new ATOM 0 HE ARG A 16 -11.258 -10.195 10.731 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -14.723 -9.748 10.206 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -15.161 -11.212 11.093 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -11.832 -12.072 11.866 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -13.533 -12.521 12.028 1.00 0.00 H new ATOM 273 N GLU A 17 -11.171 -7.458 4.874 1.00 0.00 N ATOM 274 CA GLU A 17 -11.671 -7.311 3.510 1.00 0.00 C ATOM 275 C GLU A 17 -13.050 -6.656 3.493 1.00 0.00 C ATOM 276 O GLU A 17 -14.029 -7.235 3.965 1.00 0.00 O ATOM 277 CB GLU A 17 -11.734 -8.676 2.819 1.00 0.00 C ATOM 278 CG GLU A 17 -12.432 -8.647 1.469 1.00 0.00 C ATOM 279 CD GLU A 17 -11.477 -8.869 0.313 1.00 0.00 C ATOM 280 OE1 GLU A 17 -11.118 -10.037 0.056 1.00 0.00 O ATOM 281 OE2 GLU A 17 -11.091 -7.875 -0.337 1.00 0.00 O ATOM 0 H GLU A 17 -10.892 -8.408 5.118 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.980 -6.665 2.969 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -10.720 -9.053 2.686 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -12.252 -9.379 3.471 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -13.206 -9.414 1.448 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -12.932 -7.686 1.343 1.00 0.00 H new ATOM 288 N GLY A 18 -13.123 -5.452 2.931 1.00 0.00 N ATOM 289 CA GLY A 18 -14.388 -4.746 2.850 1.00 0.00 C ATOM 290 C GLY A 18 -14.231 -3.245 3.000 1.00 0.00 C ATOM 291 O GLY A 18 -15.167 -2.489 2.736 1.00 0.00 O ATOM 0 H GLY A 18 -12.328 -4.954 2.531 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -14.860 -4.964 1.892 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -15.057 -5.117 3.627 1.00 0.00 H new ATOM 295 N ALA A 19 -13.055 -2.815 3.441 1.00 0.00 N ATOM 296 CA ALA A 19 -12.783 -1.395 3.627 1.00 0.00 C ATOM 297 C ALA A 19 -12.572 -0.699 2.288 1.00 0.00 C ATOM 298 O ALA A 19 -11.537 -0.869 1.647 1.00 0.00 O ATOM 299 CB ALA A 19 -11.573 -1.197 4.526 1.00 0.00 C ATOM 0 H ALA A 19 -12.275 -3.429 3.676 1.00 0.00 H new ATOM 0 HA ALA A 19 -13.651 -0.946 4.109 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -11.385 -0.131 4.654 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -11.764 -1.651 5.499 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -10.701 -1.667 4.071 1.00 0.00 H new ATOM 305 N LYS A 20 -13.566 0.075 1.867 1.00 0.00 N ATOM 306 CA LYS A 20 -13.479 0.814 0.614 1.00 0.00 C ATOM 307 C LYS A 20 -12.867 2.190 0.848 1.00 0.00 C ATOM 308 O LYS A 20 -12.025 2.650 0.075 1.00 0.00 O ATOM 309 CB LYS A 20 -14.866 0.955 -0.017 1.00 0.00 C ATOM 310 CG LYS A 20 -15.365 -0.318 -0.682 1.00 0.00 C ATOM 311 CD LYS A 20 -16.544 -0.912 0.071 1.00 0.00 C ATOM 312 CE LYS A 20 -16.637 -2.414 -0.136 1.00 0.00 C ATOM 313 NZ LYS A 20 -17.983 -2.941 0.220 1.00 0.00 N ATOM 0 H LYS A 20 -14.441 0.207 2.375 1.00 0.00 H new ATOM 0 HA LYS A 20 -12.837 0.259 -0.070 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -15.577 1.256 0.752 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -14.840 1.755 -0.757 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -15.659 -0.102 -1.709 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -14.556 -1.047 -0.728 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -16.444 -0.696 1.135 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -17.467 -0.439 -0.265 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -16.418 -2.651 -1.177 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -15.880 -2.912 0.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -18.005 -3.969 0.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -18.182 -2.737 1.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -18.703 -2.485 -0.376 1.00 0.00 H new ATOM 327 N THR A 21 -13.301 2.844 1.920 1.00 0.00 N ATOM 328 CA THR A 21 -12.794 4.165 2.269 1.00 0.00 C ATOM 329 C THR A 21 -12.755 4.351 3.781 1.00 0.00 C ATOM 330 O THR A 21 -13.795 4.464 4.430 1.00 0.00 O ATOM 331 CB THR A 21 -13.660 5.252 1.629 1.00 0.00 C ATOM 332 OG1 THR A 21 -14.993 4.802 1.468 1.00 0.00 O ATOM 333 CG2 THR A 21 -13.156 5.699 0.273 1.00 0.00 C ATOM 0 H THR A 21 -14.004 2.480 2.563 1.00 0.00 H new ATOM 0 HA THR A 21 -11.777 4.250 1.886 1.00 0.00 H new ATOM 0 HB THR A 21 -13.611 6.100 2.312 1.00 0.00 H new ATOM 0 HG1 THR A 21 -15.531 5.512 1.059 1.00 0.00 H new ATOM 0 HG21 THR A 21 -13.816 6.471 -0.124 1.00 0.00 H new ATOM 0 HG22 THR A 21 -12.148 6.100 0.374 1.00 0.00 H new ATOM 0 HG23 THR A 21 -13.141 4.848 -0.408 1.00 0.00 H new ATOM 341 N ARG A 22 -11.548 4.394 4.336 1.00 0.00 N ATOM 342 CA ARG A 22 -11.371 4.574 5.771 1.00 0.00 C ATOM 343 C ARG A 22 -11.318 6.058 6.122 1.00 0.00 C ATOM 344 O ARG A 22 -11.816 6.897 5.372 1.00 0.00 O ATOM 345 CB ARG A 22 -10.093 3.876 6.238 1.00 0.00 C ATOM 346 CG ARG A 22 -10.280 3.038 7.492 1.00 0.00 C ATOM 347 CD ARG A 22 -9.094 3.171 8.433 1.00 0.00 C ATOM 348 NE ARG A 22 -9.326 2.501 9.710 1.00 0.00 N ATOM 349 CZ ARG A 22 -8.359 1.956 10.443 1.00 0.00 C ATOM 350 NH1 ARG A 22 -7.100 2.000 10.027 1.00 0.00 N ATOM 351 NH2 ARG A 22 -8.651 1.365 11.594 1.00 0.00 N ATOM 0 H ARG A 22 -10.677 4.306 3.812 1.00 0.00 H new ATOM 0 HA ARG A 22 -12.223 4.127 6.283 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -9.724 3.237 5.436 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -9.326 4.628 6.425 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -11.190 3.348 8.006 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -10.411 1.992 7.216 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -8.207 2.750 7.959 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -8.889 4.227 8.610 1.00 0.00 H new ATOM 0 HE ARG A 22 -10.283 2.448 10.059 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -6.871 2.453 9.142 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -6.361 1.581 10.592 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -9.618 1.328 11.918 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -7.909 0.947 12.155 1.00 0.00 H new ATOM 365 N LYS A 23 -10.716 6.378 7.263 1.00 0.00 N ATOM 366 CA LYS A 23 -10.612 7.765 7.704 1.00 0.00 C ATOM 367 C LYS A 23 -9.363 7.984 8.550 1.00 0.00 C ATOM 368 O LYS A 23 -8.930 7.094 9.283 1.00 0.00 O ATOM 369 CB LYS A 23 -11.858 8.159 8.501 1.00 0.00 C ATOM 370 CG LYS A 23 -11.877 9.622 8.920 1.00 0.00 C ATOM 371 CD LYS A 23 -12.776 9.844 10.126 1.00 0.00 C ATOM 372 CE LYS A 23 -13.817 10.918 9.856 1.00 0.00 C ATOM 373 NZ LYS A 23 -13.194 12.232 9.538 1.00 0.00 N ATOM 0 H LYS A 23 -10.294 5.699 7.897 1.00 0.00 H new ATOM 0 HA LYS A 23 -10.536 8.395 6.818 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -12.744 7.950 7.901 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -11.922 7.534 9.392 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -10.864 9.947 9.155 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -12.224 10.235 8.088 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -13.274 8.910 10.386 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -12.170 10.132 10.985 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -14.451 10.607 9.026 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -14.462 11.024 10.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -13.887 12.991 9.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -12.371 12.384 10.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -12.888 12.240 8.544 1.00 0.00 H new ATOM 387 N CYS A 24 -8.795 9.180 8.443 1.00 0.00 N ATOM 388 CA CYS A 24 -7.609 9.540 9.207 1.00 0.00 C ATOM 389 C CYS A 24 -7.996 10.368 10.425 1.00 0.00 C ATOM 390 O CYS A 24 -8.651 11.404 10.302 1.00 0.00 O ATOM 391 CB CYS A 24 -6.629 10.324 8.330 1.00 0.00 C ATOM 392 SG CYS A 24 -4.911 10.242 8.886 1.00 0.00 S ATOM 0 H CYS A 24 -9.140 9.919 7.831 1.00 0.00 H new ATOM 0 HA CYS A 24 -7.124 8.624 9.544 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -6.688 9.945 7.310 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -6.940 11.368 8.300 1.00 0.00 H new ATOM 0 HG CYS A 24 -4.161 10.933 8.080 1.00 0.00 H new ATOM 398 N VAL A 25 -7.604 9.897 11.601 1.00 0.00 N ATOM 399 CA VAL A 25 -7.928 10.584 12.846 1.00 0.00 C ATOM 400 C VAL A 25 -7.187 11.911 12.948 1.00 0.00 C ATOM 401 O VAL A 25 -7.612 12.817 13.665 1.00 0.00 O ATOM 402 CB VAL A 25 -7.588 9.713 14.068 1.00 0.00 C ATOM 403 CG1 VAL A 25 -8.360 10.181 15.292 1.00 0.00 C ATOM 404 CG2 VAL A 25 -7.880 8.250 13.769 1.00 0.00 C ATOM 0 H VAL A 25 -7.061 9.042 11.720 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.001 10.776 12.837 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.524 9.814 14.283 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -8.105 9.552 16.145 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.099 11.216 15.513 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.430 10.111 15.096 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.635 7.644 14.642 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.937 8.131 13.530 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.277 7.925 12.921 1.00 0.00 H new ATOM 414 N CYS A 26 -6.085 12.022 12.216 1.00 0.00 N ATOM 415 CA CYS A 26 -5.296 13.249 12.204 1.00 0.00 C ATOM 416 C CYS A 26 -6.051 14.366 11.491 1.00 0.00 C ATOM 417 O CYS A 26 -5.865 15.547 11.791 1.00 0.00 O ATOM 418 CB CYS A 26 -3.949 13.009 11.519 1.00 0.00 C ATOM 419 SG CYS A 26 -2.979 14.511 11.248 1.00 0.00 S ATOM 0 H CYS A 26 -5.717 11.278 11.623 1.00 0.00 H new ATOM 0 HA CYS A 26 -5.119 13.551 13.236 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -3.364 12.316 12.124 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -4.123 12.524 10.559 1.00 0.00 H new ATOM 0 HG CYS A 26 -3.726 15.554 11.459 1.00 0.00 H new ATOM 425 N GLY A 27 -6.906 13.984 10.546 1.00 0.00 N ATOM 426 CA GLY A 27 -7.679 14.961 9.800 1.00 0.00 C ATOM 427 C GLY A 27 -7.624 14.723 8.304 1.00 0.00 C ATOM 428 O GLY A 27 -7.118 15.559 7.556 1.00 0.00 O ATOM 0 H GLY A 27 -7.077 13.013 10.284 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.717 14.929 10.132 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.305 15.961 10.020 1.00 0.00 H new ATOM 432 N ARG A 28 -8.165 13.586 7.867 1.00 0.00 N ATOM 433 CA ARG A 28 -8.169 13.226 6.454 1.00 0.00 C ATOM 434 C ARG A 28 -8.998 11.967 6.210 1.00 0.00 C ATOM 435 O ARG A 28 -9.798 11.566 7.055 1.00 0.00 O ATOM 436 CB ARG A 28 -6.738 13.004 5.964 1.00 0.00 C ATOM 437 CG ARG A 28 -6.213 14.141 5.108 1.00 0.00 C ATOM 438 CD ARG A 28 -4.704 14.066 4.942 1.00 0.00 C ATOM 439 NE ARG A 28 -4.091 15.391 4.895 1.00 0.00 N ATOM 440 CZ ARG A 28 -3.893 16.152 5.967 1.00 0.00 C ATOM 441 NH1 ARG A 28 -4.259 15.723 7.168 1.00 0.00 N ATOM 442 NH2 ARG A 28 -3.329 17.345 5.840 1.00 0.00 N ATOM 0 H ARG A 28 -8.607 12.898 8.476 1.00 0.00 H new ATOM 0 HA ARG A 28 -8.619 14.048 5.898 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -6.083 12.874 6.825 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -6.697 12.078 5.390 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.689 14.109 4.128 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.483 15.094 5.563 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.276 13.498 5.768 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.467 13.524 4.026 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.798 15.753 3.988 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -4.694 14.806 7.271 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -4.105 16.310 7.988 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -3.046 17.680 4.919 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -3.178 17.928 6.663 1.00 0.00 H new ATOM 456 N THR A 29 -8.797 11.349 5.048 1.00 0.00 N ATOM 457 CA THR A 29 -9.517 10.131 4.689 1.00 0.00 C ATOM 458 C THR A 29 -8.585 9.146 3.990 1.00 0.00 C ATOM 459 O THR A 29 -7.760 9.539 3.165 1.00 0.00 O ATOM 460 CB THR A 29 -10.702 10.468 3.781 1.00 0.00 C ATOM 461 OG1 THR A 29 -11.554 11.415 4.403 1.00 0.00 O ATOM 462 CG2 THR A 29 -11.543 9.264 3.416 1.00 0.00 C ATOM 0 H THR A 29 -8.140 11.673 4.338 1.00 0.00 H new ATOM 0 HA THR A 29 -9.891 9.668 5.602 1.00 0.00 H new ATOM 0 HB THR A 29 -10.261 10.869 2.869 1.00 0.00 H new ATOM 0 HG1 THR A 29 -12.305 11.620 3.808 1.00 0.00 H new ATOM 0 HG21 THR A 29 -12.365 9.576 2.771 1.00 0.00 H new ATOM 0 HG22 THR A 29 -10.926 8.535 2.890 1.00 0.00 H new ATOM 0 HG23 THR A 29 -11.945 8.812 4.323 1.00 0.00 H new ATOM 470 N VAL A 30 -8.713 7.865 4.331 1.00 0.00 N ATOM 471 CA VAL A 30 -7.868 6.833 3.739 1.00 0.00 C ATOM 472 C VAL A 30 -8.557 6.165 2.557 1.00 0.00 C ATOM 473 O VAL A 30 -9.539 5.443 2.721 1.00 0.00 O ATOM 474 CB VAL A 30 -7.474 5.760 4.768 1.00 0.00 C ATOM 475 CG1 VAL A 30 -6.450 4.801 4.176 1.00 0.00 C ATOM 476 CG2 VAL A 30 -6.935 6.414 6.027 1.00 0.00 C ATOM 0 H VAL A 30 -9.390 7.519 5.011 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.964 7.333 3.391 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.362 5.186 5.031 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.184 4.049 4.919 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.874 4.311 3.300 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.558 5.356 3.885 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.660 5.644 6.748 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.057 7.010 5.780 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -7.701 7.058 6.459 1.00 0.00 H new ATOM 486 N ASN A 31 -8.045 6.437 1.364 1.00 0.00 N ATOM 487 CA ASN A 31 -8.605 5.878 0.142 1.00 0.00 C ATOM 488 C ASN A 31 -7.891 4.593 -0.261 1.00 0.00 C ATOM 489 O ASN A 31 -6.719 4.618 -0.639 1.00 0.00 O ATOM 490 CB ASN A 31 -8.505 6.902 -0.989 1.00 0.00 C ATOM 491 CG ASN A 31 -7.583 8.057 -0.650 1.00 0.00 C ATOM 492 OD1 ASN A 31 -6.368 7.970 -0.830 1.00 0.00 O ATOM 493 ND2 ASN A 31 -8.158 9.147 -0.155 1.00 0.00 N ATOM 0 H ASN A 31 -7.239 7.044 1.217 1.00 0.00 H new ATOM 0 HA ASN A 31 -9.652 5.638 0.330 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -8.145 6.407 -1.891 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -9.499 7.289 -1.213 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -7.589 9.956 0.093 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -9.169 9.175 -0.023 1.00 0.00 H new ATOM 500 N VAL A 32 -8.594 3.467 -0.174 1.00 0.00 N ATOM 501 CA VAL A 32 -8.019 2.188 -0.573 1.00 0.00 C ATOM 502 C VAL A 32 -7.737 2.176 -2.076 1.00 0.00 C ATOM 503 O VAL A 32 -7.776 3.220 -2.728 1.00 0.00 O ATOM 504 CB VAL A 32 -8.923 0.999 -0.176 1.00 0.00 C ATOM 505 CG1 VAL A 32 -9.502 1.222 1.213 1.00 0.00 C ATOM 506 CG2 VAL A 32 -10.034 0.768 -1.190 1.00 0.00 C ATOM 0 H VAL A 32 -9.554 3.415 0.166 1.00 0.00 H new ATOM 0 HA VAL A 32 -7.077 2.069 -0.037 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.305 0.101 -0.164 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -10.137 0.378 1.482 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -8.691 1.310 1.935 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -10.094 2.137 1.218 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -10.646 -0.076 -0.873 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -10.655 1.661 -1.259 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -9.597 0.554 -2.166 1.00 0.00 H new ATOM 516 N LYS A 33 -7.445 1.000 -2.623 1.00 0.00 N ATOM 517 CA LYS A 33 -7.159 0.876 -4.048 1.00 0.00 C ATOM 518 C LYS A 33 -8.321 1.400 -4.887 1.00 0.00 C ATOM 519 O LYS A 33 -9.339 1.840 -4.351 1.00 0.00 O ATOM 520 CB LYS A 33 -6.873 -0.584 -4.406 1.00 0.00 C ATOM 521 CG LYS A 33 -5.718 -0.758 -5.377 1.00 0.00 C ATOM 522 CD LYS A 33 -5.969 -1.903 -6.342 1.00 0.00 C ATOM 523 CE LYS A 33 -4.672 -2.580 -6.753 1.00 0.00 C ATOM 524 NZ LYS A 33 -3.931 -1.789 -7.774 1.00 0.00 N ATOM 0 H LYS A 33 -7.400 0.123 -2.104 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.277 1.478 -4.269 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.655 -1.137 -3.492 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -7.770 -1.025 -4.839 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.570 0.165 -5.937 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.799 -0.944 -4.821 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.630 -2.634 -5.877 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.481 -1.528 -7.228 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.042 -2.720 -5.875 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.890 -3.571 -7.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.053 -2.285 -8.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.522 -1.677 -8.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.700 -0.852 -7.387 1.00 0.00 H new ATOM 538 N ASP A 34 -8.174 1.335 -6.206 1.00 0.00 N ATOM 539 CA ASP A 34 -9.214 1.806 -7.111 1.00 0.00 C ATOM 540 C ASP A 34 -10.194 0.684 -7.424 1.00 0.00 C ATOM 541 O ASP A 34 -11.409 0.870 -7.356 1.00 0.00 O ATOM 542 CB ASP A 34 -8.596 2.336 -8.407 1.00 0.00 C ATOM 543 CG ASP A 34 -7.391 1.527 -8.847 1.00 0.00 C ATOM 544 OD1 ASP A 34 -6.264 1.869 -8.432 1.00 0.00 O ATOM 545 OD2 ASP A 34 -7.575 0.554 -9.608 1.00 0.00 O ATOM 0 H ASP A 34 -7.346 0.961 -6.671 1.00 0.00 H new ATOM 0 HA ASP A 34 -9.752 2.617 -6.621 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -9.347 2.322 -9.197 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -8.300 3.376 -8.267 1.00 0.00 H new ATOM 550 N ARG A 35 -9.657 -0.486 -7.748 1.00 0.00 N ATOM 551 CA ARG A 35 -10.484 -1.651 -8.028 1.00 0.00 C ATOM 552 C ARG A 35 -10.845 -2.363 -6.726 1.00 0.00 C ATOM 553 O ARG A 35 -11.700 -1.898 -5.973 1.00 0.00 O ATOM 554 CB ARG A 35 -9.757 -2.605 -8.979 1.00 0.00 C ATOM 555 CG ARG A 35 -9.983 -2.290 -10.449 1.00 0.00 C ATOM 556 CD ARG A 35 -9.085 -3.132 -11.340 1.00 0.00 C ATOM 557 NE ARG A 35 -9.495 -3.079 -12.741 1.00 0.00 N ATOM 558 CZ ARG A 35 -9.249 -4.047 -13.618 1.00 0.00 C ATOM 559 NH1 ARG A 35 -8.598 -5.139 -13.241 1.00 0.00 N ATOM 560 NH2 ARG A 35 -9.654 -3.924 -14.875 1.00 0.00 N ATOM 0 H ARG A 35 -8.653 -0.652 -7.823 1.00 0.00 H new ATOM 0 HA ARG A 35 -11.404 -1.321 -8.511 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -8.688 -2.569 -8.769 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -10.087 -3.625 -8.780 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -11.027 -2.472 -10.706 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -9.790 -1.233 -10.630 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -8.056 -2.783 -11.250 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -9.102 -4.166 -10.997 1.00 0.00 H new ATOM 0 HE ARG A 35 -9.998 -2.253 -13.064 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -8.284 -5.238 -12.275 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -8.411 -5.880 -13.917 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -10.155 -3.086 -15.170 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -9.465 -4.668 -15.547 1.00 0.00 H new ATOM 574 N ARG A 36 -10.188 -3.489 -6.462 1.00 0.00 N ATOM 575 CA ARG A 36 -10.426 -4.242 -5.238 1.00 0.00 C ATOM 576 C ARG A 36 -9.731 -3.584 -4.047 1.00 0.00 C ATOM 577 O ARG A 36 -10.309 -2.736 -3.367 1.00 0.00 O ATOM 578 CB ARG A 36 -9.942 -5.686 -5.398 1.00 0.00 C ATOM 579 CG ARG A 36 -10.141 -6.247 -6.798 1.00 0.00 C ATOM 580 CD ARG A 36 -9.012 -7.187 -7.188 1.00 0.00 C ATOM 581 NE ARG A 36 -9.067 -8.445 -6.449 1.00 0.00 N ATOM 582 CZ ARG A 36 -8.328 -9.509 -6.749 1.00 0.00 C ATOM 583 NH1 ARG A 36 -7.482 -9.470 -7.769 1.00 0.00 N ATOM 584 NH2 ARG A 36 -8.437 -10.617 -6.027 1.00 0.00 N ATOM 0 H ARG A 36 -9.487 -3.899 -7.080 1.00 0.00 H new ATOM 0 HA ARG A 36 -11.499 -4.247 -5.048 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -8.883 -5.735 -5.144 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -10.471 -6.318 -4.685 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -11.091 -6.779 -6.846 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -10.197 -5.428 -7.515 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -9.064 -7.392 -8.257 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -8.055 -6.700 -7.003 1.00 0.00 H new ATOM 0 HE ARG A 36 -9.708 -8.511 -5.658 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -7.396 -8.621 -8.328 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.917 -10.289 -7.995 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -9.088 -10.652 -5.242 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.870 -11.433 -6.257 1.00 0.00 H new ATOM 598 N ILE A 37 -8.491 -3.997 -3.796 1.00 0.00 N ATOM 599 CA ILE A 37 -7.709 -3.475 -2.680 1.00 0.00 C ATOM 600 C ILE A 37 -6.215 -3.634 -2.952 1.00 0.00 C ATOM 601 O ILE A 37 -5.804 -4.522 -3.701 1.00 0.00 O ATOM 602 CB ILE A 37 -8.089 -4.200 -1.364 1.00 0.00 C ATOM 603 CG1 ILE A 37 -8.906 -3.264 -0.464 1.00 0.00 C ATOM 604 CG2 ILE A 37 -6.856 -4.723 -0.632 1.00 0.00 C ATOM 605 CD1 ILE A 37 -8.076 -2.244 0.288 1.00 0.00 C ATOM 0 H ILE A 37 -8.004 -4.697 -4.356 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.934 -2.414 -2.573 1.00 0.00 H new ATOM 0 HB ILE A 37 -8.701 -5.065 -1.619 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -9.639 -2.739 -1.076 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -9.462 -3.865 0.256 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -7.163 -5.225 0.285 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -6.325 -5.428 -1.271 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.198 -3.890 -0.387 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -8.730 -1.623 0.900 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -7.360 -2.759 0.929 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -7.540 -1.616 -0.423 1.00 0.00 H new ATOM 617 N PHE A 38 -5.408 -2.786 -2.325 1.00 0.00 N ATOM 618 CA PHE A 38 -3.963 -2.865 -2.470 1.00 0.00 C ATOM 619 C PHE A 38 -3.379 -3.760 -1.384 1.00 0.00 C ATOM 620 O PHE A 38 -3.935 -3.861 -0.295 1.00 0.00 O ATOM 621 CB PHE A 38 -3.339 -1.470 -2.395 1.00 0.00 C ATOM 622 CG PHE A 38 -2.098 -1.323 -3.227 1.00 0.00 C ATOM 623 CD1 PHE A 38 -0.852 -1.615 -2.696 1.00 0.00 C ATOM 624 CD2 PHE A 38 -2.177 -0.892 -4.543 1.00 0.00 C ATOM 625 CE1 PHE A 38 0.291 -1.481 -3.460 1.00 0.00 C ATOM 626 CE2 PHE A 38 -1.037 -0.756 -5.311 1.00 0.00 C ATOM 627 CZ PHE A 38 0.200 -1.050 -4.769 1.00 0.00 C ATOM 0 H PHE A 38 -5.731 -2.037 -1.712 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.734 -3.294 -3.446 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -4.074 -0.734 -2.720 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.099 -1.243 -1.356 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.774 -1.951 -1.673 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -3.141 -0.660 -4.972 1.00 0.00 H new ATOM 0 HE1 PHE A 38 1.256 -1.713 -3.034 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.112 -0.420 -6.335 1.00 0.00 H new ATOM 0 HZ PHE A 38 1.093 -0.943 -5.367 1.00 0.00 H new ATOM 637 N GLY A 39 -2.277 -4.430 -1.697 1.00 0.00 N ATOM 638 CA GLY A 39 -1.651 -5.321 -0.736 1.00 0.00 C ATOM 639 C GLY A 39 -2.644 -6.266 -0.086 1.00 0.00 C ATOM 640 O GLY A 39 -3.230 -5.946 0.947 1.00 0.00 O ATOM 0 H GLY A 39 -1.805 -4.373 -2.599 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.876 -5.902 -1.236 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.159 -4.729 0.036 1.00 0.00 H new ATOM 644 N ARG A 40 -2.851 -7.424 -0.699 1.00 0.00 N ATOM 645 CA ARG A 40 -3.772 -8.413 -0.158 1.00 0.00 C ATOM 646 C ARG A 40 -3.028 -9.382 0.748 1.00 0.00 C ATOM 647 O ARG A 40 -2.493 -10.393 0.292 1.00 0.00 O ATOM 648 CB ARG A 40 -4.468 -9.176 -1.284 1.00 0.00 C ATOM 649 CG ARG A 40 -5.925 -9.496 -0.992 1.00 0.00 C ATOM 650 CD ARG A 40 -6.056 -10.735 -0.121 1.00 0.00 C ATOM 651 NE ARG A 40 -7.211 -11.547 -0.494 1.00 0.00 N ATOM 652 CZ ARG A 40 -8.399 -11.455 0.096 1.00 0.00 C ATOM 653 NH1 ARG A 40 -8.587 -10.588 1.083 1.00 0.00 N ATOM 654 NH2 ARG A 40 -9.399 -12.229 -0.300 1.00 0.00 N ATOM 0 H ARG A 40 -2.395 -7.700 -1.568 1.00 0.00 H new ATOM 0 HA ARG A 40 -4.531 -7.892 0.426 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.410 -8.588 -2.200 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -3.930 -10.106 -1.468 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.393 -8.647 -0.493 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -6.460 -9.650 -1.929 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -5.149 -11.334 -0.205 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.145 -10.436 0.923 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.100 -12.223 -1.250 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -7.819 -9.991 1.390 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -9.499 -10.519 1.534 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.258 -12.896 -1.058 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -10.310 -12.157 0.154 1.00 0.00 H new ATOM 668 N ALA A 41 -2.970 -9.046 2.029 1.00 0.00 N ATOM 669 CA ALA A 41 -2.262 -9.863 3.001 1.00 0.00 C ATOM 670 C ALA A 41 -3.200 -10.836 3.699 1.00 0.00 C ATOM 671 O ALA A 41 -4.076 -10.428 4.458 1.00 0.00 O ATOM 672 CB ALA A 41 -1.571 -8.973 4.019 1.00 0.00 C ATOM 0 H ALA A 41 -3.406 -8.211 2.419 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.513 -10.450 2.469 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.043 -9.592 4.744 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -0.860 -8.323 3.510 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.314 -8.365 4.534 1.00 0.00 H new ATOM 678 N ASP A 42 -2.998 -12.124 3.455 1.00 0.00 N ATOM 679 CA ASP A 42 -3.815 -13.153 4.082 1.00 0.00 C ATOM 680 C ASP A 42 -3.314 -13.442 5.493 1.00 0.00 C ATOM 681 O ASP A 42 -4.096 -13.760 6.389 1.00 0.00 O ATOM 682 CB ASP A 42 -3.789 -14.435 3.246 1.00 0.00 C ATOM 683 CG ASP A 42 -4.913 -15.386 3.606 1.00 0.00 C ATOM 684 OD1 ASP A 42 -6.085 -14.954 3.585 1.00 0.00 O ATOM 685 OD2 ASP A 42 -4.623 -16.562 3.909 1.00 0.00 O ATOM 0 H ASP A 42 -2.276 -12.480 2.828 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.841 -12.791 4.140 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -3.860 -14.177 2.189 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.832 -14.938 3.388 1.00 0.00 H new ATOM 690 N ASP A 43 -2.000 -13.350 5.674 1.00 0.00 N ATOM 691 CA ASP A 43 -1.385 -13.582 6.976 1.00 0.00 C ATOM 692 C ASP A 43 -1.338 -12.294 7.791 1.00 0.00 C ATOM 693 O ASP A 43 -0.948 -11.244 7.282 1.00 0.00 O ATOM 694 CB ASP A 43 0.027 -14.143 6.806 1.00 0.00 C ATOM 695 CG ASP A 43 0.025 -15.574 6.306 1.00 0.00 C ATOM 696 OD1 ASP A 43 -0.116 -16.495 7.138 1.00 0.00 O ATOM 697 OD2 ASP A 43 0.165 -15.776 5.081 1.00 0.00 O ATOM 0 H ASP A 43 -1.339 -13.116 4.933 1.00 0.00 H new ATOM 0 HA ASP A 43 -1.994 -14.310 7.512 1.00 0.00 H new ATOM 0 HB2 ASP A 43 0.582 -13.518 6.106 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.551 -14.095 7.761 1.00 0.00 H new ATOM 702 N PHE A 44 -1.735 -12.381 9.058 1.00 0.00 N ATOM 703 CA PHE A 44 -1.717 -11.222 9.942 1.00 0.00 C ATOM 704 C PHE A 44 -0.319 -10.617 10.006 1.00 0.00 C ATOM 705 O PHE A 44 -0.158 -9.396 9.989 1.00 0.00 O ATOM 706 CB PHE A 44 -2.197 -11.617 11.343 1.00 0.00 C ATOM 707 CG PHE A 44 -1.743 -10.688 12.434 1.00 0.00 C ATOM 708 CD1 PHE A 44 -2.380 -9.474 12.636 1.00 0.00 C ATOM 709 CD2 PHE A 44 -0.686 -11.033 13.261 1.00 0.00 C ATOM 710 CE1 PHE A 44 -1.966 -8.619 13.640 1.00 0.00 C ATOM 711 CE2 PHE A 44 -0.268 -10.182 14.266 1.00 0.00 C ATOM 712 CZ PHE A 44 -0.908 -8.973 14.456 1.00 0.00 C ATOM 0 H PHE A 44 -2.072 -13.240 9.493 1.00 0.00 H new ATOM 0 HA PHE A 44 -2.396 -10.469 9.541 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -3.286 -11.656 11.344 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -1.842 -12.623 11.566 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.208 -9.193 12.002 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -0.183 -11.978 13.118 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -2.469 -7.675 13.787 1.00 0.00 H new ATOM 0 HE2 PHE A 44 0.558 -10.462 14.902 1.00 0.00 H new ATOM 0 HZ PHE A 44 -0.583 -8.306 15.240 1.00 0.00 H new ATOM 722 N GLU A 45 0.692 -11.479 10.074 1.00 0.00 N ATOM 723 CA GLU A 45 2.076 -11.029 10.122 1.00 0.00 C ATOM 724 C GLU A 45 2.465 -10.363 8.807 1.00 0.00 C ATOM 725 O GLU A 45 3.182 -9.363 8.792 1.00 0.00 O ATOM 726 CB GLU A 45 3.012 -12.204 10.409 1.00 0.00 C ATOM 727 CG GLU A 45 4.005 -11.932 11.528 1.00 0.00 C ATOM 728 CD GLU A 45 4.991 -13.066 11.722 1.00 0.00 C ATOM 729 OE1 GLU A 45 6.053 -13.049 11.066 1.00 0.00 O ATOM 730 OE2 GLU A 45 4.700 -13.974 12.529 1.00 0.00 O ATOM 0 H GLU A 45 0.577 -12.492 10.097 1.00 0.00 H new ATOM 0 HA GLU A 45 2.171 -10.300 10.927 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.415 -13.078 10.669 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.560 -12.451 9.500 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.551 -11.014 11.309 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.462 -11.765 12.458 1.00 0.00 H new ATOM 737 N GLU A 46 1.976 -10.922 7.705 1.00 0.00 N ATOM 738 CA GLU A 46 2.254 -10.379 6.381 1.00 0.00 C ATOM 739 C GLU A 46 1.564 -9.032 6.199 1.00 0.00 C ATOM 740 O GLU A 46 1.996 -8.207 5.395 1.00 0.00 O ATOM 741 CB GLU A 46 1.787 -11.355 5.298 1.00 0.00 C ATOM 742 CG GLU A 46 2.321 -11.027 3.914 1.00 0.00 C ATOM 743 CD GLU A 46 2.877 -12.244 3.201 1.00 0.00 C ATOM 744 OE1 GLU A 46 2.073 -13.058 2.700 1.00 0.00 O ATOM 745 OE2 GLU A 46 4.117 -12.384 3.144 1.00 0.00 O ATOM 0 H GLU A 46 1.384 -11.753 7.703 1.00 0.00 H new ATOM 0 HA GLU A 46 3.331 -10.236 6.289 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.100 -12.363 5.570 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.697 -11.357 5.267 1.00 0.00 H new ATOM 0 HG2 GLU A 46 1.522 -10.592 3.314 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.102 -10.272 3.999 1.00 0.00 H new ATOM 752 N ALA A 47 0.483 -8.824 6.944 1.00 0.00 N ATOM 753 CA ALA A 47 -0.270 -7.577 6.876 1.00 0.00 C ATOM 754 C ALA A 47 0.612 -6.383 7.225 1.00 0.00 C ATOM 755 O ALA A 47 0.759 -5.454 6.431 1.00 0.00 O ATOM 756 CB ALA A 47 -1.475 -7.639 7.805 1.00 0.00 C ATOM 0 H ALA A 47 0.108 -9.506 7.604 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.621 -7.447 5.852 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.029 -6.702 7.745 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.123 -8.463 7.506 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.137 -7.796 8.829 1.00 0.00 H new ATOM 762 N SER A 48 1.194 -6.414 8.420 1.00 0.00 N ATOM 763 CA SER A 48 2.062 -5.336 8.880 1.00 0.00 C ATOM 764 C SER A 48 3.255 -5.157 7.944 1.00 0.00 C ATOM 765 O SER A 48 3.733 -4.042 7.739 1.00 0.00 O ATOM 766 CB SER A 48 2.550 -5.619 10.303 1.00 0.00 C ATOM 767 OG SER A 48 3.961 -5.750 10.345 1.00 0.00 O ATOM 0 H SER A 48 1.080 -7.176 9.088 1.00 0.00 H new ATOM 0 HA SER A 48 1.484 -4.412 8.879 1.00 0.00 H new ATOM 0 HB2 SER A 48 2.237 -4.811 10.965 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.086 -6.533 10.674 1.00 0.00 H new ATOM 0 HG SER A 48 4.246 -5.929 11.266 1.00 0.00 H new ATOM 773 N GLU A 49 3.730 -6.264 7.381 1.00 0.00 N ATOM 774 CA GLU A 49 4.869 -6.232 6.469 1.00 0.00 C ATOM 775 C GLU A 49 4.495 -5.562 5.151 1.00 0.00 C ATOM 776 O GLU A 49 5.295 -4.834 4.564 1.00 0.00 O ATOM 777 CB GLU A 49 5.378 -7.649 6.206 1.00 0.00 C ATOM 778 CG GLU A 49 6.629 -8.001 6.992 1.00 0.00 C ATOM 779 CD GLU A 49 7.871 -8.044 6.124 1.00 0.00 C ATOM 780 OE1 GLU A 49 7.935 -8.906 5.222 1.00 0.00 O ATOM 781 OE2 GLU A 49 8.779 -7.216 6.345 1.00 0.00 O ATOM 0 H GLU A 49 3.344 -7.195 7.540 1.00 0.00 H new ATOM 0 HA GLU A 49 5.661 -5.649 6.939 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.591 -8.361 6.454 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.584 -7.760 5.142 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.771 -7.269 7.787 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.492 -8.970 7.471 1.00 0.00 H new ATOM 788 N LEU A 50 3.275 -5.818 4.691 1.00 0.00 N ATOM 789 CA LEU A 50 2.790 -5.240 3.445 1.00 0.00 C ATOM 790 C LEU A 50 2.606 -3.734 3.585 1.00 0.00 C ATOM 791 O LEU A 50 3.011 -2.964 2.714 1.00 0.00 O ATOM 792 CB LEU A 50 1.470 -5.900 3.037 1.00 0.00 C ATOM 793 CG LEU A 50 1.540 -6.756 1.771 1.00 0.00 C ATOM 794 CD1 LEU A 50 0.188 -7.386 1.478 1.00 0.00 C ATOM 795 CD2 LEU A 50 2.012 -5.924 0.588 1.00 0.00 C ATOM 0 H LEU A 50 2.604 -6.423 5.164 1.00 0.00 H new ATOM 0 HA LEU A 50 3.532 -5.423 2.668 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.123 -6.524 3.861 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.722 -5.121 2.890 1.00 0.00 H new ATOM 0 HG LEU A 50 2.262 -7.556 1.936 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.257 -7.991 0.574 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.108 -8.017 2.316 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.555 -6.602 1.334 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.055 -6.550 -0.303 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.316 -5.102 0.420 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.003 -5.523 0.798 1.00 0.00 H new ATOM 807 N VAL A 51 2.024 -3.320 4.706 1.00 0.00 N ATOM 808 CA VAL A 51 1.802 -1.907 4.982 1.00 0.00 C ATOM 809 C VAL A 51 3.126 -1.161 5.113 1.00 0.00 C ATOM 810 O VAL A 51 3.261 -0.031 4.643 1.00 0.00 O ATOM 811 CB VAL A 51 0.995 -1.716 6.279 1.00 0.00 C ATOM 812 CG1 VAL A 51 0.806 -0.239 6.582 1.00 0.00 C ATOM 813 CG2 VAL A 51 -0.347 -2.425 6.188 1.00 0.00 C ATOM 0 H VAL A 51 1.697 -3.947 5.441 1.00 0.00 H new ATOM 0 HA VAL A 51 1.238 -1.501 4.142 1.00 0.00 H new ATOM 0 HB VAL A 51 1.558 -2.161 7.099 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.233 -0.127 7.503 1.00 0.00 H new ATOM 0 HG12 VAL A 51 1.780 0.236 6.701 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.269 0.235 5.760 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.900 -2.277 7.115 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -0.919 -2.016 5.355 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -0.185 -3.491 6.029 1.00 0.00 H new ATOM 823 N ARG A 52 4.101 -1.801 5.754 1.00 0.00 N ATOM 824 CA ARG A 52 5.413 -1.196 5.944 1.00 0.00 C ATOM 825 C ARG A 52 6.070 -0.924 4.599 1.00 0.00 C ATOM 826 O ARG A 52 6.646 0.141 4.383 1.00 0.00 O ATOM 827 CB ARG A 52 6.305 -2.105 6.790 1.00 0.00 C ATOM 828 CG ARG A 52 6.407 -1.673 8.244 1.00 0.00 C ATOM 829 CD ARG A 52 6.661 -2.858 9.161 1.00 0.00 C ATOM 830 NE ARG A 52 7.560 -2.514 10.260 1.00 0.00 N ATOM 831 CZ ARG A 52 8.844 -2.858 10.300 1.00 0.00 C ATOM 832 NH1 ARG A 52 9.380 -3.557 9.308 1.00 0.00 N ATOM 833 NH2 ARG A 52 9.595 -2.503 11.335 1.00 0.00 N ATOM 0 H ARG A 52 4.006 -2.736 6.149 1.00 0.00 H new ATOM 0 HA ARG A 52 5.282 -0.250 6.469 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.917 -3.123 6.748 1.00 0.00 H new ATOM 0 HB3 ARG A 52 7.304 -2.127 6.355 1.00 0.00 H new ATOM 0 HG2 ARG A 52 7.213 -0.948 8.353 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.485 -1.173 8.541 1.00 0.00 H new ATOM 0 HD2 ARG A 52 5.713 -3.214 9.565 1.00 0.00 H new ATOM 0 HD3 ARG A 52 7.090 -3.678 8.584 1.00 0.00 H new ATOM 0 HE ARG A 52 7.181 -1.979 11.042 1.00 0.00 H new ATOM 0 HH11 ARG A 52 8.807 -3.833 8.511 1.00 0.00 H new ATOM 0 HH12 ARG A 52 10.365 -3.819 9.343 1.00 0.00 H new ATOM 0 HH21 ARG A 52 9.187 -1.966 12.100 1.00 0.00 H new ATOM 0 HH22 ARG A 52 10.580 -2.767 11.365 1.00 0.00 H new ATOM 847 N LYS A 53 5.968 -1.885 3.691 1.00 0.00 N ATOM 848 CA LYS A 53 6.506 -1.717 2.349 1.00 0.00 C ATOM 849 C LYS A 53 5.697 -0.665 1.601 1.00 0.00 C ATOM 850 O LYS A 53 6.229 0.080 0.779 1.00 0.00 O ATOM 851 CB LYS A 53 6.477 -3.045 1.590 1.00 0.00 C ATOM 852 CG LYS A 53 7.203 -3.001 0.256 1.00 0.00 C ATOM 853 CD LYS A 53 8.692 -3.253 0.426 1.00 0.00 C ATOM 854 CE LYS A 53 9.351 -3.608 -0.897 1.00 0.00 C ATOM 855 NZ LYS A 53 9.711 -2.395 -1.682 1.00 0.00 N ATOM 0 H LYS A 53 5.519 -2.786 3.859 1.00 0.00 H new ATOM 0 HA LYS A 53 7.542 -1.387 2.422 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.926 -3.819 2.213 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.440 -3.334 1.420 1.00 0.00 H new ATOM 0 HG2 LYS A 53 6.780 -3.749 -0.415 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.048 -2.029 -0.212 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.167 -2.365 0.844 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.846 -4.063 1.139 1.00 0.00 H new ATOM 0 HE2 LYS A 53 10.248 -4.198 -0.709 1.00 0.00 H new ATOM 0 HE3 LYS A 53 8.676 -4.232 -1.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 10.158 -2.680 -2.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 8.852 -1.845 -1.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 10.375 -1.811 -1.134 1.00 0.00 H new ATOM 869 N LEU A 54 4.400 -0.620 1.898 1.00 0.00 N ATOM 870 CA LEU A 54 3.498 0.346 1.283 1.00 0.00 C ATOM 871 C LEU A 54 3.810 1.765 1.751 1.00 0.00 C ATOM 872 O LEU A 54 3.274 2.735 1.215 1.00 0.00 O ATOM 873 CB LEU A 54 2.046 -0.004 1.617 1.00 0.00 C ATOM 874 CG LEU A 54 1.182 -0.422 0.422 1.00 0.00 C ATOM 875 CD1 LEU A 54 1.072 0.714 -0.583 1.00 0.00 C ATOM 876 CD2 LEU A 54 1.749 -1.671 -0.237 1.00 0.00 C ATOM 0 H LEU A 54 3.950 -1.246 2.565 1.00 0.00 H new ATOM 0 HA LEU A 54 3.641 0.302 0.203 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.043 -0.813 2.347 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.582 0.859 2.096 1.00 0.00 H new ATOM 0 HG LEU A 54 0.181 -0.653 0.786 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.455 0.397 -1.424 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.616 1.581 -0.104 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.066 0.979 -0.942 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.122 -1.952 -1.083 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.762 -1.470 -0.587 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.770 -2.486 0.486 1.00 0.00 H new ATOM 888 N GLN A 55 4.670 1.879 2.760 1.00 0.00 N ATOM 889 CA GLN A 55 5.034 3.181 3.311 1.00 0.00 C ATOM 890 C GLN A 55 5.823 4.005 2.296 1.00 0.00 C ATOM 891 O GLN A 55 5.841 3.688 1.106 1.00 0.00 O ATOM 892 CB GLN A 55 5.856 3.007 4.590 1.00 0.00 C ATOM 893 CG GLN A 55 5.007 2.834 5.839 1.00 0.00 C ATOM 894 CD GLN A 55 5.808 2.334 7.025 1.00 0.00 C ATOM 895 OE1 GLN A 55 6.752 1.560 6.869 1.00 0.00 O ATOM 896 NE2 GLN A 55 5.433 2.775 8.219 1.00 0.00 N ATOM 0 H GLN A 55 5.127 1.087 3.212 1.00 0.00 H new ATOM 0 HA GLN A 55 4.113 3.714 3.547 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.506 2.139 4.479 1.00 0.00 H new ATOM 0 HB3 GLN A 55 6.503 3.875 4.718 1.00 0.00 H new ATOM 0 HG2 GLN A 55 4.544 3.787 6.094 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.199 2.133 5.630 1.00 0.00 H new ATOM 0 HE21 GLN A 55 4.644 3.416 8.301 1.00 0.00 H new ATOM 0 HE22 GLN A 55 5.934 2.473 9.055 1.00 0.00 H new ATOM 905 N GLU A 56 6.465 5.066 2.773 1.00 0.00 N ATOM 906 CA GLU A 56 7.254 5.936 1.909 1.00 0.00 C ATOM 907 C GLU A 56 8.595 5.292 1.565 1.00 0.00 C ATOM 908 O GLU A 56 9.644 5.723 2.045 1.00 0.00 O ATOM 909 CB GLU A 56 7.481 7.290 2.586 1.00 0.00 C ATOM 910 CG GLU A 56 7.971 8.371 1.636 1.00 0.00 C ATOM 911 CD GLU A 56 6.984 8.663 0.523 1.00 0.00 C ATOM 912 OE1 GLU A 56 6.090 9.510 0.731 1.00 0.00 O ATOM 913 OE2 GLU A 56 7.104 8.044 -0.555 1.00 0.00 O ATOM 0 H GLU A 56 6.454 5.344 3.754 1.00 0.00 H new ATOM 0 HA GLU A 56 6.699 6.089 0.983 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.549 7.618 3.046 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.207 7.168 3.390 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.159 9.285 2.199 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.922 8.063 1.201 1.00 0.00 H new ATOM 920 N GLU A 57 8.550 4.255 0.735 1.00 0.00 N ATOM 921 CA GLU A 57 9.759 3.551 0.324 1.00 0.00 C ATOM 922 C GLU A 57 10.519 4.345 -0.732 1.00 0.00 C ATOM 923 O GLU A 57 9.949 4.758 -1.742 1.00 0.00 O ATOM 924 CB GLU A 57 9.406 2.164 -0.219 1.00 0.00 C ATOM 925 CG GLU A 57 9.716 1.034 0.749 1.00 0.00 C ATOM 926 CD GLU A 57 11.203 0.857 0.983 1.00 0.00 C ATOM 927 OE1 GLU A 57 11.935 0.621 -0.002 1.00 0.00 O ATOM 928 OE2 GLU A 57 11.636 0.957 2.150 1.00 0.00 O ATOM 0 H GLU A 57 7.689 3.884 0.334 1.00 0.00 H new ATOM 0 HA GLU A 57 10.400 3.439 1.199 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.345 2.139 -0.465 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.953 1.996 -1.147 1.00 0.00 H new ATOM 0 HG2 GLU A 57 9.223 1.231 1.701 1.00 0.00 H new ATOM 0 HG3 GLU A 57 9.300 0.104 0.361 1.00 0.00 H new ATOM 935 N LYS A 58 11.811 4.549 -0.496 1.00 0.00 N ATOM 936 CA LYS A 58 12.649 5.293 -1.426 1.00 0.00 C ATOM 937 C LYS A 58 13.052 4.422 -2.611 1.00 0.00 C ATOM 938 O LYS A 58 13.305 3.228 -2.457 1.00 0.00 O ATOM 939 CB LYS A 58 13.896 5.817 -0.710 1.00 0.00 C ATOM 940 CG LYS A 58 13.594 6.875 0.339 1.00 0.00 C ATOM 941 CD LYS A 58 14.846 7.285 1.098 1.00 0.00 C ATOM 942 CE LYS A 58 14.586 8.486 1.993 1.00 0.00 C ATOM 943 NZ LYS A 58 14.639 8.126 3.436 1.00 0.00 N ATOM 0 H LYS A 58 12.300 4.209 0.332 1.00 0.00 H new ATOM 0 HA LYS A 58 12.073 6.139 -1.802 1.00 0.00 H new ATOM 0 HB2 LYS A 58 14.410 4.982 -0.234 1.00 0.00 H new ATOM 0 HB3 LYS A 58 14.581 6.234 -1.448 1.00 0.00 H new ATOM 0 HG2 LYS A 58 13.156 7.750 -0.142 1.00 0.00 H new ATOM 0 HG3 LYS A 58 12.852 6.492 1.040 1.00 0.00 H new ATOM 0 HD2 LYS A 58 15.197 6.449 1.702 1.00 0.00 H new ATOM 0 HD3 LYS A 58 15.640 7.522 0.390 1.00 0.00 H new ATOM 0 HE2 LYS A 58 15.325 9.260 1.785 1.00 0.00 H new ATOM 0 HE3 LYS A 58 13.608 8.907 1.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 14.457 8.973 4.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 13.917 7.406 3.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 15.580 7.748 3.665 1.00 0.00 H new ATOM 957 N TYR A 59 13.105 5.029 -3.793 1.00 0.00 N ATOM 958 CA TYR A 59 13.469 4.308 -5.007 1.00 0.00 C ATOM 959 C TYR A 59 14.977 4.333 -5.226 1.00 0.00 C ATOM 960 O TYR A 59 15.574 5.397 -5.386 1.00 0.00 O ATOM 961 CB TYR A 59 12.757 4.917 -6.218 1.00 0.00 C ATOM 962 CG TYR A 59 11.260 5.041 -6.042 1.00 0.00 C ATOM 963 CD1 TYR A 59 10.416 3.977 -6.336 1.00 0.00 C ATOM 964 CD2 TYR A 59 10.691 6.222 -5.581 1.00 0.00 C ATOM 965 CE1 TYR A 59 9.048 4.087 -6.177 1.00 0.00 C ATOM 966 CE2 TYR A 59 9.324 6.339 -5.419 1.00 0.00 C ATOM 967 CZ TYR A 59 8.507 5.270 -5.718 1.00 0.00 C ATOM 968 OH TYR A 59 7.145 5.383 -5.559 1.00 0.00 O ATOM 0 H TYR A 59 12.900 6.018 -3.935 1.00 0.00 H new ATOM 0 HA TYR A 59 13.155 3.271 -4.890 1.00 0.00 H new ATOM 0 HB2 TYR A 59 13.174 5.905 -6.415 1.00 0.00 H new ATOM 0 HB3 TYR A 59 12.962 4.304 -7.095 1.00 0.00 H new ATOM 0 HD1 TYR A 59 10.836 3.049 -6.695 1.00 0.00 H new ATOM 0 HD2 TYR A 59 11.328 7.062 -5.346 1.00 0.00 H new ATOM 0 HE1 TYR A 59 8.405 3.251 -6.411 1.00 0.00 H new ATOM 0 HE2 TYR A 59 8.898 7.264 -5.060 1.00 0.00 H new ATOM 0 HH TYR A 59 6.928 6.279 -5.227 1.00 0.00 H new ATOM 978 N GLY A 60 15.587 3.152 -5.233 1.00 0.00 N ATOM 979 CA GLY A 60 17.021 3.055 -5.433 1.00 0.00 C ATOM 980 C GLY A 60 17.501 1.619 -5.492 1.00 0.00 C ATOM 981 O GLY A 60 18.399 1.289 -6.266 1.00 0.00 O ATOM 0 H GLY A 60 15.112 2.259 -5.103 1.00 0.00 H new ATOM 0 HA2 GLY A 60 17.291 3.564 -6.358 1.00 0.00 H new ATOM 0 HA3 GLY A 60 17.534 3.574 -4.623 1.00 0.00 H new ATOM 985 N SER A 61 16.902 0.764 -4.669 1.00 0.00 N ATOM 986 CA SER A 61 17.272 -0.646 -4.629 1.00 0.00 C ATOM 987 C SER A 61 16.448 -1.456 -5.624 1.00 0.00 C ATOM 988 O SER A 61 15.217 -1.466 -5.565 1.00 0.00 O ATOM 989 CB SER A 61 17.079 -1.205 -3.219 1.00 0.00 C ATOM 990 OG SER A 61 17.287 -2.607 -3.191 1.00 0.00 O ATOM 0 H SER A 61 16.158 1.023 -4.021 1.00 0.00 H new ATOM 0 HA SER A 61 18.323 -0.726 -4.906 1.00 0.00 H new ATOM 0 HB2 SER A 61 17.773 -0.718 -2.534 1.00 0.00 H new ATOM 0 HB3 SER A 61 16.072 -0.977 -2.869 1.00 0.00 H new ATOM 0 HG SER A 61 17.159 -2.939 -2.278 1.00 0.00 H new ATOM 996 N CYS A 62 17.135 -2.140 -6.535 1.00 0.00 N ATOM 997 CA CYS A 62 16.469 -2.958 -7.541 1.00 0.00 C ATOM 998 C CYS A 62 17.019 -4.382 -7.531 1.00 0.00 C ATOM 999 O CYS A 62 18.233 -4.588 -7.541 1.00 0.00 O ATOM 1000 CB CYS A 62 16.643 -2.340 -8.929 1.00 0.00 C ATOM 1001 SG CYS A 62 15.382 -1.117 -9.358 1.00 0.00 S ATOM 0 H CYS A 62 18.153 -2.143 -6.596 1.00 0.00 H new ATOM 0 HA CYS A 62 15.407 -2.995 -7.300 1.00 0.00 H new ATOM 0 HB2 CYS A 62 17.624 -1.869 -8.984 1.00 0.00 H new ATOM 0 HB3 CYS A 62 16.629 -3.136 -9.673 1.00 0.00 H new ATOM 0 HG CYS A 62 15.617 -0.651 -10.549 1.00 0.00 H new ATOM 1007 N HIS A 63 16.118 -5.359 -7.502 1.00 0.00 N ATOM 1008 CA HIS A 63 16.514 -6.763 -7.488 1.00 0.00 C ATOM 1009 C HIS A 63 16.459 -7.357 -8.890 1.00 0.00 C ATOM 1010 O HIS A 63 17.468 -7.821 -9.420 1.00 0.00 O ATOM 1011 CB HIS A 63 15.614 -7.571 -6.545 1.00 0.00 C ATOM 1012 CG HIS A 63 14.511 -6.772 -5.923 1.00 0.00 C ATOM 1013 ND1 HIS A 63 13.321 -6.562 -6.580 1.00 0.00 N ATOM 1014 CD2 HIS A 63 14.463 -6.158 -4.715 1.00 0.00 C ATOM 1015 CE1 HIS A 63 12.582 -5.832 -5.764 1.00 0.00 C ATOM 1016 NE2 HIS A 63 13.233 -5.563 -4.624 1.00 0.00 N ATOM 0 H HIS A 63 15.110 -5.205 -7.488 1.00 0.00 H new ATOM 0 HA HIS A 63 17.541 -6.815 -7.126 1.00 0.00 H new ATOM 0 HB2 HIS A 63 15.179 -8.403 -7.099 1.00 0.00 H new ATOM 0 HB3 HIS A 63 16.228 -8.002 -5.754 1.00 0.00 H new ATOM 0 HD2 HIS A 63 15.244 -6.141 -3.969 1.00 0.00 H new ATOM 0 HE1 HIS A 63 11.581 -5.495 -5.987 1.00 0.00 H new ATOM 0 HE2 HIS A 63 12.879 -5.018 -3.838 1.00 0.00 H new ATOM 1024 N PHE A 64 15.270 -7.339 -9.489 1.00 0.00 N ATOM 1025 CA PHE A 64 15.083 -7.872 -10.834 1.00 0.00 C ATOM 1026 C PHE A 64 15.870 -7.055 -11.855 1.00 0.00 C ATOM 1027 O PHE A 64 16.339 -5.958 -11.555 1.00 0.00 O ATOM 1028 CB PHE A 64 13.597 -7.877 -11.202 1.00 0.00 C ATOM 1029 CG PHE A 64 12.875 -9.121 -10.767 1.00 0.00 C ATOM 1030 CD1 PHE A 64 12.860 -10.247 -11.573 1.00 0.00 C ATOM 1031 CD2 PHE A 64 12.210 -9.162 -9.551 1.00 0.00 C ATOM 1032 CE1 PHE A 64 12.195 -11.392 -11.176 1.00 0.00 C ATOM 1033 CE2 PHE A 64 11.544 -10.305 -9.149 1.00 0.00 C ATOM 1034 CZ PHE A 64 11.537 -11.420 -9.962 1.00 0.00 C ATOM 0 H PHE A 64 14.423 -6.961 -9.064 1.00 0.00 H new ATOM 0 HA PHE A 64 15.456 -8.896 -10.848 1.00 0.00 H new ATOM 0 HB2 PHE A 64 13.116 -7.010 -10.749 1.00 0.00 H new ATOM 0 HB3 PHE A 64 13.498 -7.768 -12.282 1.00 0.00 H new ATOM 0 HD1 PHE A 64 13.374 -10.230 -12.523 1.00 0.00 H new ATOM 0 HD2 PHE A 64 12.212 -8.292 -8.911 1.00 0.00 H new ATOM 0 HE1 PHE A 64 12.190 -12.263 -11.814 1.00 0.00 H new ATOM 0 HE2 PHE A 64 11.030 -10.325 -8.200 1.00 0.00 H new ATOM 0 HZ PHE A 64 11.017 -12.314 -9.649 1.00 0.00 H new ATOM 1044 N THR A 65 16.014 -7.600 -13.058 1.00 0.00 N ATOM 1045 CA THR A 65 16.750 -6.922 -14.120 1.00 0.00 C ATOM 1046 C THR A 65 15.802 -6.172 -15.050 1.00 0.00 C ATOM 1047 O THR A 65 14.902 -6.765 -15.646 1.00 0.00 O ATOM 1048 CB THR A 65 17.576 -7.931 -14.920 1.00 0.00 C ATOM 1049 OG1 THR A 65 18.146 -8.905 -14.062 1.00 0.00 O ATOM 1050 CG2 THR A 65 18.702 -7.295 -15.706 1.00 0.00 C ATOM 0 H THR A 65 15.632 -8.508 -13.322 1.00 0.00 H new ATOM 0 HA THR A 65 17.421 -6.198 -13.657 1.00 0.00 H new ATOM 0 HB THR A 65 16.877 -8.384 -15.622 1.00 0.00 H new ATOM 0 HG1 THR A 65 18.669 -9.542 -14.592 1.00 0.00 H new ATOM 0 HG21 THR A 65 19.247 -8.066 -16.250 1.00 0.00 H new ATOM 0 HG22 THR A 65 18.291 -6.575 -16.413 1.00 0.00 H new ATOM 0 HG23 THR A 65 19.381 -6.785 -15.022 1.00 0.00 H new ATOM 1058 N ASN A 66 16.013 -4.865 -15.170 1.00 0.00 N ATOM 1059 CA ASN A 66 15.182 -4.030 -16.030 1.00 0.00 C ATOM 1060 C ASN A 66 15.413 -4.367 -17.502 1.00 0.00 C ATOM 1061 O ASN A 66 16.504 -4.793 -17.884 1.00 0.00 O ATOM 1062 CB ASN A 66 15.485 -2.550 -15.782 1.00 0.00 C ATOM 1063 CG ASN A 66 14.446 -1.887 -14.898 1.00 0.00 C ATOM 1064 OD1 ASN A 66 14.210 -2.316 -13.770 1.00 0.00 O ATOM 1065 ND2 ASN A 66 13.821 -0.832 -15.409 1.00 0.00 N ATOM 0 H ASN A 66 16.753 -4.361 -14.682 1.00 0.00 H new ATOM 0 HA ASN A 66 14.137 -4.227 -15.789 1.00 0.00 H new ATOM 0 HB2 ASN A 66 16.467 -2.456 -15.318 1.00 0.00 H new ATOM 0 HB3 ASN A 66 15.533 -2.027 -16.737 1.00 0.00 H new ATOM 0 HD21 ASN A 66 13.113 -0.343 -14.860 1.00 0.00 H new ATOM 0 HD22 ASN A 66 14.049 -0.511 -16.350 1.00 0.00 H new ATOM 1072 N PRO A 67 14.387 -4.180 -18.353 1.00 0.00 N ATOM 1073 CA PRO A 67 14.487 -4.468 -19.789 1.00 0.00 C ATOM 1074 C PRO A 67 15.650 -3.733 -20.448 1.00 0.00 C ATOM 1075 O PRO A 67 16.343 -4.286 -21.302 1.00 0.00 O ATOM 1076 CB PRO A 67 13.153 -3.967 -20.352 1.00 0.00 C ATOM 1077 CG PRO A 67 12.217 -3.997 -19.193 1.00 0.00 C ATOM 1078 CD PRO A 67 13.048 -3.680 -17.984 1.00 0.00 C ATOM 0 HA PRO A 67 14.673 -5.525 -19.977 1.00 0.00 H new ATOM 0 HB2 PRO A 67 13.248 -2.960 -20.758 1.00 0.00 H new ATOM 0 HB3 PRO A 67 12.800 -4.605 -21.162 1.00 0.00 H new ATOM 0 HG2 PRO A 67 11.416 -3.268 -19.319 1.00 0.00 H new ATOM 0 HG3 PRO A 67 11.745 -4.975 -19.097 1.00 0.00 H new ATOM 0 HD2 PRO A 67 13.062 -2.610 -17.774 1.00 0.00 H new ATOM 0 HD3 PRO A 67 12.665 -4.175 -17.092 1.00 0.00 H new ATOM 1086 N SER A 68 15.858 -2.483 -20.045 1.00 0.00 N ATOM 1087 CA SER A 68 16.936 -1.670 -20.595 1.00 0.00 C ATOM 1088 C SER A 68 18.259 -1.976 -19.901 1.00 0.00 C ATOM 1089 O SER A 68 19.328 -1.613 -20.393 1.00 0.00 O ATOM 1090 CB SER A 68 16.606 -0.184 -20.452 1.00 0.00 C ATOM 1091 OG SER A 68 15.382 0.132 -21.094 1.00 0.00 O ATOM 0 H SER A 68 15.293 -2.011 -19.339 1.00 0.00 H new ATOM 0 HA SER A 68 17.036 -1.914 -21.653 1.00 0.00 H new ATOM 0 HB2 SER A 68 16.544 0.078 -19.396 1.00 0.00 H new ATOM 0 HB3 SER A 68 17.410 0.413 -20.882 1.00 0.00 H new ATOM 0 HG SER A 68 15.193 1.088 -20.986 1.00 0.00 H new ATOM 1097 N LYS A 69 18.180 -2.647 -18.756 1.00 0.00 N ATOM 1098 CA LYS A 69 19.371 -3.003 -17.994 1.00 0.00 C ATOM 1099 C LYS A 69 19.924 -4.349 -18.448 1.00 0.00 C ATOM 1100 O LYS A 69 19.191 -5.334 -18.533 1.00 0.00 O ATOM 1101 CB LYS A 69 19.050 -3.049 -16.499 1.00 0.00 C ATOM 1102 CG LYS A 69 19.675 -1.914 -15.705 1.00 0.00 C ATOM 1103 CD LYS A 69 18.739 -1.412 -14.619 1.00 0.00 C ATOM 1104 CE LYS A 69 19.508 -0.824 -13.448 1.00 0.00 C ATOM 1105 NZ LYS A 69 19.817 -1.849 -12.414 1.00 0.00 N ATOM 0 H LYS A 69 17.303 -2.955 -18.336 1.00 0.00 H new ATOM 0 HA LYS A 69 20.128 -2.240 -18.173 1.00 0.00 H new ATOM 0 HB2 LYS A 69 17.968 -3.020 -16.368 1.00 0.00 H new ATOM 0 HB3 LYS A 69 19.395 -3.999 -16.091 1.00 0.00 H new ATOM 0 HG2 LYS A 69 20.607 -2.254 -15.254 1.00 0.00 H new ATOM 0 HG3 LYS A 69 19.927 -1.094 -16.377 1.00 0.00 H new ATOM 0 HD2 LYS A 69 18.072 -0.656 -15.033 1.00 0.00 H new ATOM 0 HD3 LYS A 69 18.113 -2.233 -14.269 1.00 0.00 H new ATOM 0 HE2 LYS A 69 20.436 -0.382 -13.809 1.00 0.00 H new ATOM 0 HE3 LYS A 69 18.925 -0.020 -12.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 20.342 -1.407 -11.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 18.931 -2.253 -12.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 20.395 -2.604 -12.835 1.00 0.00 H new ATOM 1119 N ARG A 70 21.221 -4.385 -18.737 1.00 0.00 N ATOM 1120 CA ARG A 70 21.871 -5.612 -19.179 1.00 0.00 C ATOM 1121 C ARG A 70 22.236 -6.493 -17.988 1.00 0.00 C ATOM 1122 O ARG A 70 21.679 -7.577 -17.812 1.00 0.00 O ATOM 1123 CB ARG A 70 23.128 -5.287 -19.990 1.00 0.00 C ATOM 1124 CG ARG A 70 22.849 -5.013 -21.459 1.00 0.00 C ATOM 1125 CD ARG A 70 23.012 -6.267 -22.301 1.00 0.00 C ATOM 1126 NE ARG A 70 21.979 -6.373 -23.329 1.00 0.00 N ATOM 1127 CZ ARG A 70 20.942 -7.203 -23.252 1.00 0.00 C ATOM 1128 NH1 ARG A 70 20.799 -7.995 -22.199 1.00 0.00 N ATOM 1129 NH2 ARG A 70 20.047 -7.238 -24.230 1.00 0.00 N ATOM 0 H ARG A 70 21.842 -3.578 -18.673 1.00 0.00 H new ATOM 0 HA ARG A 70 21.170 -6.156 -19.812 1.00 0.00 H new ATOM 0 HB2 ARG A 70 23.618 -4.417 -19.553 1.00 0.00 H new ATOM 0 HB3 ARG A 70 23.827 -6.119 -19.910 1.00 0.00 H new ATOM 0 HG2 ARG A 70 21.836 -4.627 -21.572 1.00 0.00 H new ATOM 0 HG3 ARG A 70 23.527 -4.240 -21.821 1.00 0.00 H new ATOM 0 HD2 ARG A 70 23.994 -6.262 -22.773 1.00 0.00 H new ATOM 0 HD3 ARG A 70 22.973 -7.145 -21.656 1.00 0.00 H new ATOM 0 HE ARG A 70 22.057 -5.777 -24.153 1.00 0.00 H new ATOM 0 HH11 ARG A 70 21.485 -7.969 -21.445 1.00 0.00 H new ATOM 0 HH12 ARG A 70 20.003 -8.630 -22.143 1.00 0.00 H new ATOM 0 HH21 ARG A 70 20.154 -6.629 -25.041 1.00 0.00 H new ATOM 0 HH22 ARG A 70 19.252 -7.874 -24.171 1.00 0.00 H new ATOM 1143 N GLU A 71 23.170 -6.017 -17.170 1.00 0.00 N ATOM 1144 CA GLU A 71 23.608 -6.760 -15.994 1.00 0.00 C ATOM 1145 C GLU A 71 22.774 -6.389 -14.773 1.00 0.00 C ATOM 1146 O GLU A 71 22.953 -7.032 -13.717 1.00 0.00 O ATOM 1147 CB GLU A 71 25.089 -6.490 -15.718 1.00 0.00 C ATOM 1148 CG GLU A 71 25.407 -5.022 -15.482 1.00 0.00 C ATOM 1149 CD GLU A 71 26.827 -4.663 -15.875 1.00 0.00 C ATOM 1150 OE1 GLU A 71 27.287 -5.137 -16.934 1.00 0.00 O ATOM 1151 OE2 GLU A 71 27.477 -3.907 -15.123 1.00 0.00 O ATOM 1152 OXT GLU A 71 21.947 -5.459 -14.883 1.00 0.00 O ATOM 0 H GLU A 71 23.638 -5.120 -17.300 1.00 0.00 H new ATOM 0 HA GLU A 71 23.470 -7.823 -16.194 1.00 0.00 H new ATOM 0 HB2 GLU A 71 25.398 -7.065 -14.845 1.00 0.00 H new ATOM 0 HB3 GLU A 71 25.679 -6.850 -16.561 1.00 0.00 H new ATOM 0 HG2 GLU A 71 24.710 -4.407 -16.051 1.00 0.00 H new ATOM 0 HG3 GLU A 71 25.254 -4.786 -14.429 1.00 0.00 H new TER 1159 GLU A 71