USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 550 hydrogens (5 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 37 TYR OH : rot -163:sc= 0.88 USER MOD Set 1.2: A 50 LYS NZ :NH3+ -172:sc= 1.19 (180deg=0.711) USER MOD Single : A 1 MET CE :methyl 157:sc= 0 (180deg=-0.788) USER MOD Single : A 1 MET N :NH3+ 136:sc= 0.0148 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 167:sc= 0.95 (180deg=0.815) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.0902 K(o=-0.09,f=-0.71) USER MOD Single : A 32 CYS SG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 ASN : amide:sc= -1.93 K(o=-1.9,f=-3.3!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.0637 X(o=-0.064,f=0) USER MOD Single : A 44 LYS NZ :NH3+ -131:sc= 0.749 (180deg=-0.123) USER MOD Single : A 51 ASN : amide:sc= -0.97 K(o=-0.97,f=-2.1) USER MOD Single : A 52 TYR OH : rot 1:sc= 1.1 USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.521 2.890 3.614 1.00 0.00 N ATOM 2 CA MET A 1 7.305 1.447 3.615 1.00 0.00 C ATOM 3 C MET A 1 7.221 1.061 2.123 1.00 0.00 C ATOM 4 O MET A 1 6.395 1.616 1.401 1.00 0.00 O ATOM 5 CB MET A 1 5.988 1.191 4.385 1.00 0.00 C ATOM 6 CG MET A 1 5.310 -0.174 4.156 1.00 0.00 C ATOM 7 SD MET A 1 3.613 -0.223 4.763 1.00 0.00 S ATOM 8 CE MET A 1 3.900 -0.744 6.462 1.00 0.00 C ATOM 0 H1 MET A 1 6.911 3.333 4.331 1.00 0.00 H new ATOM 0 H2 MET A 1 8.517 3.092 3.834 1.00 0.00 H new ATOM 0 H3 MET A 1 7.289 3.275 2.676 1.00 0.00 H new ATOM 0 HA MET A 1 8.084 0.857 4.098 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.190 1.297 5.451 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.278 1.973 4.116 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.316 -0.403 3.090 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.891 -0.951 4.653 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.056 -0.442 7.083 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.007 -1.828 6.497 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.811 -0.277 6.837 1.00 0.00 H new ATOM 18 N GLU A 2 8.110 0.118 1.693 1.00 0.00 N ATOM 19 CA GLU A 2 8.091 -0.283 0.286 1.00 0.00 C ATOM 20 C GLU A 2 6.901 -1.219 0.076 1.00 0.00 C ATOM 21 O GLU A 2 6.971 -2.430 0.221 1.00 0.00 O ATOM 22 CB GLU A 2 9.411 -0.940 -0.094 1.00 0.00 C ATOM 23 CG GLU A 2 9.445 -1.351 -1.572 1.00 0.00 C ATOM 24 CD GLU A 2 10.871 -1.683 -2.045 1.00 0.00 C ATOM 25 OE1 GLU A 2 11.322 -2.809 -1.843 1.00 0.00 O ATOM 26 OE2 GLU A 2 11.518 -0.809 -2.618 1.00 0.00 O ATOM 0 H GLU A 2 8.806 -0.347 2.276 1.00 0.00 H new ATOM 0 HA GLU A 2 7.977 0.586 -0.362 1.00 0.00 H new ATOM 0 HB2 GLU A 2 10.231 -0.251 0.109 1.00 0.00 H new ATOM 0 HB3 GLU A 2 9.571 -1.819 0.530 1.00 0.00 H new ATOM 0 HG2 GLU A 2 8.802 -2.218 -1.722 1.00 0.00 H new ATOM 0 HG3 GLU A 2 9.039 -0.544 -2.182 1.00 0.00 H new ATOM 33 N ALA A 3 5.846 -0.533 -0.384 1.00 0.00 N ATOM 34 CA ALA A 3 4.542 -1.123 -0.579 1.00 0.00 C ATOM 35 C ALA A 3 4.440 -1.565 -2.027 1.00 0.00 C ATOM 36 O ALA A 3 4.920 -0.921 -2.949 1.00 0.00 O ATOM 37 CB ALA A 3 3.546 -0.021 -0.220 1.00 0.00 C ATOM 0 H ALA A 3 5.888 0.456 -0.630 1.00 0.00 H new ATOM 0 HA ALA A 3 4.349 -2.003 0.034 1.00 0.00 H new ATOM 0 HB1 ALA A 3 2.530 -0.395 -0.344 1.00 0.00 H new ATOM 0 HB2 ALA A 3 3.697 0.283 0.816 1.00 0.00 H new ATOM 0 HB3 ALA A 3 3.700 0.836 -0.876 1.00 0.00 H new ATOM 43 N ILE A 4 3.817 -2.753 -2.134 1.00 0.00 N ATOM 44 CA ILE A 4 3.720 -3.411 -3.418 1.00 0.00 C ATOM 45 C ILE A 4 2.361 -4.095 -3.538 1.00 0.00 C ATOM 46 O ILE A 4 2.048 -5.026 -2.807 1.00 0.00 O ATOM 47 CB ILE A 4 4.826 -4.490 -3.437 1.00 0.00 C ATOM 48 CG1 ILE A 4 6.251 -3.897 -3.287 1.00 0.00 C ATOM 49 CG2 ILE A 4 4.745 -5.385 -4.691 1.00 0.00 C ATOM 50 CD1 ILE A 4 7.364 -4.944 -3.172 1.00 0.00 C ATOM 0 H ILE A 4 3.387 -3.255 -1.357 1.00 0.00 H new ATOM 0 HA ILE A 4 3.831 -2.700 -4.237 1.00 0.00 H new ATOM 0 HB ILE A 4 4.639 -5.112 -2.562 1.00 0.00 H new ATOM 0 HG12 ILE A 4 6.457 -3.258 -4.146 1.00 0.00 H new ATOM 0 HG13 ILE A 4 6.275 -3.260 -2.403 1.00 0.00 H new ATOM 0 HG21 ILE A 4 5.542 -6.128 -4.660 1.00 0.00 H new ATOM 0 HG22 ILE A 4 3.779 -5.890 -4.716 1.00 0.00 H new ATOM 0 HG23 ILE A 4 4.856 -4.771 -5.584 1.00 0.00 H new ATOM 0 HD11 ILE A 4 8.326 -4.442 -3.071 1.00 0.00 H new ATOM 0 HD12 ILE A 4 7.187 -5.569 -2.297 1.00 0.00 H new ATOM 0 HD13 ILE A 4 7.372 -5.566 -4.067 1.00 0.00 H new ATOM 62 N ALA A 5 1.593 -3.584 -4.513 1.00 0.00 N ATOM 63 CA ALA A 5 0.292 -4.162 -4.790 1.00 0.00 C ATOM 64 C ALA A 5 0.509 -5.587 -5.350 1.00 0.00 C ATOM 65 O ALA A 5 1.142 -5.774 -6.381 1.00 0.00 O ATOM 66 CB ALA A 5 -0.379 -3.305 -5.862 1.00 0.00 C ATOM 0 H ALA A 5 1.851 -2.793 -5.103 1.00 0.00 H new ATOM 0 HA ALA A 5 -0.324 -4.201 -3.891 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -1.362 -3.715 -6.093 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -0.488 -2.284 -5.496 1.00 0.00 H new ATOM 0 HB3 ALA A 5 0.234 -3.303 -6.763 1.00 0.00 H new ATOM 72 N LYS A 6 -0.060 -6.566 -4.630 1.00 0.00 N ATOM 73 CA LYS A 6 0.058 -7.972 -5.018 1.00 0.00 C ATOM 74 C LYS A 6 -1.057 -8.414 -5.984 1.00 0.00 C ATOM 75 O LYS A 6 -0.939 -9.417 -6.677 1.00 0.00 O ATOM 76 CB LYS A 6 -0.005 -8.805 -3.749 1.00 0.00 C ATOM 77 CG LYS A 6 1.185 -8.479 -2.860 1.00 0.00 C ATOM 78 CD LYS A 6 1.574 -9.662 -1.998 1.00 0.00 C ATOM 79 CE LYS A 6 0.576 -9.939 -0.869 1.00 0.00 C ATOM 80 NZ LYS A 6 1.148 -10.805 0.155 1.00 0.00 N ATOM 0 H LYS A 6 -0.603 -6.407 -3.781 1.00 0.00 H new ATOM 0 HA LYS A 6 1.001 -8.112 -5.546 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -0.935 -8.604 -3.217 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -0.004 -9.866 -3.999 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.033 -8.184 -3.479 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.943 -7.628 -2.224 1.00 0.00 H new ATOM 0 HD2 LYS A 6 1.658 -10.549 -2.626 1.00 0.00 H new ATOM 0 HD3 LYS A 6 2.559 -9.482 -1.568 1.00 0.00 H new ATOM 0 HE2 LYS A 6 0.266 -8.997 -0.417 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -0.320 -10.404 -1.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 0.539 -10.794 0.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 1.216 -11.776 -0.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 2.097 -10.463 0.409 1.00 0.00 H new ATOM 94 N TYR A 7 -2.127 -7.594 -5.981 1.00 0.00 N ATOM 95 CA TYR A 7 -3.298 -7.849 -6.825 1.00 0.00 C ATOM 96 C TYR A 7 -3.811 -6.527 -7.414 1.00 0.00 C ATOM 97 O TYR A 7 -3.406 -5.438 -7.027 1.00 0.00 O ATOM 98 CB TYR A 7 -4.443 -8.468 -6.003 1.00 0.00 C ATOM 99 CG TYR A 7 -4.032 -9.692 -5.235 1.00 0.00 C ATOM 100 CD1 TYR A 7 -3.354 -9.552 -4.034 1.00 0.00 C ATOM 101 CD2 TYR A 7 -4.312 -10.965 -5.707 1.00 0.00 C ATOM 102 CE1 TYR A 7 -2.925 -10.654 -3.317 1.00 0.00 C ATOM 103 CE2 TYR A 7 -3.918 -12.083 -4.991 1.00 0.00 C ATOM 104 CZ TYR A 7 -3.216 -11.941 -3.787 1.00 0.00 C ATOM 105 OH TYR A 7 -2.789 -13.054 -3.078 1.00 0.00 O ATOM 0 H TYR A 7 -2.199 -6.755 -5.405 1.00 0.00 H new ATOM 0 HA TYR A 7 -2.995 -8.537 -7.614 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -4.825 -7.722 -5.306 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -5.263 -8.727 -6.673 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -3.157 -8.562 -3.650 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -4.842 -11.086 -6.640 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -2.369 -10.523 -2.400 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -4.153 -13.069 -5.363 1.00 0.00 H new ATOM 0 HH TYR A 7 -3.076 -13.868 -3.543 1.00 0.00 H new ATOM 115 N ASP A 8 -4.729 -6.725 -8.387 1.00 0.00 N ATOM 116 CA ASP A 8 -5.385 -5.619 -9.065 1.00 0.00 C ATOM 117 C ASP A 8 -6.588 -5.229 -8.199 1.00 0.00 C ATOM 118 O ASP A 8 -7.383 -6.068 -7.790 1.00 0.00 O ATOM 119 CB ASP A 8 -5.870 -6.050 -10.458 1.00 0.00 C ATOM 120 CG ASP A 8 -4.696 -6.211 -11.433 1.00 0.00 C ATOM 121 OD1 ASP A 8 -4.249 -5.203 -11.980 1.00 0.00 O ATOM 122 OD2 ASP A 8 -4.244 -7.336 -11.633 1.00 0.00 O ATOM 0 H ASP A 8 -5.022 -7.647 -8.710 1.00 0.00 H new ATOM 0 HA ASP A 8 -4.696 -4.784 -9.197 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -6.413 -6.992 -10.381 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -6.569 -5.310 -10.847 1.00 0.00 H new ATOM 127 N PHE A 9 -6.642 -3.911 -7.936 1.00 0.00 N ATOM 128 CA PHE A 9 -7.712 -3.364 -7.115 1.00 0.00 C ATOM 129 C PHE A 9 -8.214 -2.026 -7.666 1.00 0.00 C ATOM 130 O PHE A 9 -7.504 -1.224 -8.259 1.00 0.00 O ATOM 131 CB PHE A 9 -7.207 -3.165 -5.681 1.00 0.00 C ATOM 132 CG PHE A 9 -8.320 -2.921 -4.693 1.00 0.00 C ATOM 133 CD1 PHE A 9 -9.313 -3.878 -4.528 1.00 0.00 C ATOM 134 CD2 PHE A 9 -8.380 -1.748 -3.945 1.00 0.00 C ATOM 135 CE1 PHE A 9 -10.355 -3.662 -3.644 1.00 0.00 C ATOM 136 CE2 PHE A 9 -9.421 -1.535 -3.046 1.00 0.00 C ATOM 137 CZ PHE A 9 -10.408 -2.500 -2.894 1.00 0.00 C ATOM 0 H PHE A 9 -5.968 -3.226 -8.276 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.542 -4.071 -7.128 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -6.643 -4.046 -5.375 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.517 -2.321 -5.658 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -9.271 -4.797 -5.094 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -7.613 -0.997 -4.063 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -11.132 -4.405 -3.538 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -9.461 -0.623 -2.469 1.00 0.00 H new ATOM 0 HZ PHE A 9 -11.214 -2.344 -2.193 1.00 0.00 H new ATOM 147 N LYS A 10 -9.512 -1.868 -7.386 1.00 0.00 N ATOM 148 CA LYS A 10 -10.256 -0.674 -7.744 1.00 0.00 C ATOM 149 C LYS A 10 -10.979 -0.208 -6.483 1.00 0.00 C ATOM 150 O LYS A 10 -11.861 -0.884 -5.968 1.00 0.00 O ATOM 151 CB LYS A 10 -11.251 -0.962 -8.869 1.00 0.00 C ATOM 152 CG LYS A 10 -10.548 -1.153 -10.214 1.00 0.00 C ATOM 153 CD LYS A 10 -10.264 0.166 -10.944 1.00 0.00 C ATOM 154 CE LYS A 10 -9.617 -0.085 -12.310 1.00 0.00 C ATOM 155 NZ LYS A 10 -9.537 1.116 -13.137 1.00 0.00 N ATOM 0 H LYS A 10 -10.070 -2.572 -6.903 1.00 0.00 H new ATOM 0 HA LYS A 10 -9.584 0.101 -8.114 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -11.823 -1.858 -8.628 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -11.963 -0.140 -8.944 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -9.608 -1.681 -10.053 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -11.164 -1.787 -10.851 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -11.194 0.720 -11.075 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -9.606 0.787 -10.336 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.614 -0.484 -12.162 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -10.188 -0.847 -12.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -9.091 0.882 -14.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -10.494 1.486 -13.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -8.969 1.837 -12.648 1.00 0.00 H new ATOM 169 N ALA A 11 -10.529 0.971 -6.010 1.00 0.00 N ATOM 170 CA ALA A 11 -11.131 1.560 -4.809 1.00 0.00 C ATOM 171 C ALA A 11 -12.651 1.669 -4.899 1.00 0.00 C ATOM 172 O ALA A 11 -13.254 1.763 -5.962 1.00 0.00 O ATOM 173 CB ALA A 11 -10.653 2.980 -4.544 1.00 0.00 C ATOM 0 H ALA A 11 -9.775 1.516 -6.429 1.00 0.00 H new ATOM 0 HA ALA A 11 -10.825 0.879 -4.015 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -11.132 3.363 -3.643 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -9.572 2.980 -4.408 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -10.912 3.615 -5.391 1.00 0.00 H new ATOM 179 N THR A 12 -13.200 1.683 -3.675 1.00 0.00 N ATOM 180 CA THR A 12 -14.627 1.881 -3.519 1.00 0.00 C ATOM 181 C THR A 12 -14.877 3.407 -3.611 1.00 0.00 C ATOM 182 O THR A 12 -15.935 3.887 -3.997 1.00 0.00 O ATOM 183 CB THR A 12 -15.043 1.314 -2.136 1.00 0.00 C ATOM 184 OG1 THR A 12 -14.514 2.031 -0.974 1.00 0.00 O ATOM 185 CG2 THR A 12 -14.843 -0.229 -2.130 1.00 0.00 C ATOM 0 H THR A 12 -12.682 1.562 -2.805 1.00 0.00 H new ATOM 0 HA THR A 12 -15.213 1.371 -4.284 1.00 0.00 H new ATOM 0 HB THR A 12 -16.108 1.506 -2.004 1.00 0.00 H new ATOM 0 HG1 THR A 12 -14.831 1.601 -0.152 1.00 0.00 H new ATOM 0 HG21 THR A 12 -15.135 -0.630 -1.159 1.00 0.00 H new ATOM 0 HG22 THR A 12 -15.459 -0.679 -2.908 1.00 0.00 H new ATOM 0 HG23 THR A 12 -13.795 -0.461 -2.318 1.00 0.00 H new ATOM 193 N ALA A 13 -13.768 4.090 -3.248 1.00 0.00 N ATOM 194 CA ALA A 13 -13.566 5.522 -3.205 1.00 0.00 C ATOM 195 C ALA A 13 -14.499 6.201 -2.222 1.00 0.00 C ATOM 196 O ALA A 13 -15.560 6.737 -2.517 1.00 0.00 O ATOM 197 CB ALA A 13 -13.556 6.162 -4.583 1.00 0.00 C ATOM 0 H ALA A 13 -12.928 3.591 -2.955 1.00 0.00 H new ATOM 0 HA ALA A 13 -12.560 5.684 -2.818 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -13.401 7.236 -4.484 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -12.750 5.732 -5.178 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -14.510 5.977 -5.077 1.00 0.00 H new ATOM 203 N ASP A 14 -13.917 6.120 -1.023 1.00 0.00 N ATOM 204 CA ASP A 14 -14.425 6.651 0.215 1.00 0.00 C ATOM 205 C ASP A 14 -13.263 7.394 0.921 1.00 0.00 C ATOM 206 O ASP A 14 -13.323 7.682 2.109 1.00 0.00 O ATOM 207 CB ASP A 14 -14.891 5.403 0.981 1.00 0.00 C ATOM 208 CG ASP A 14 -15.698 5.720 2.253 1.00 0.00 C ATOM 209 OD1 ASP A 14 -16.817 6.213 2.130 1.00 0.00 O ATOM 210 OD2 ASP A 14 -15.210 5.452 3.349 1.00 0.00 O ATOM 0 H ASP A 14 -13.021 5.649 -0.898 1.00 0.00 H new ATOM 0 HA ASP A 14 -15.241 7.367 0.119 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -15.501 4.788 0.319 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -14.019 4.809 1.254 1.00 0.00 H new ATOM 215 N ASP A 15 -12.236 7.675 0.064 1.00 0.00 N ATOM 216 CA ASP A 15 -10.923 8.302 0.292 1.00 0.00 C ATOM 217 C ASP A 15 -9.771 7.333 -0.060 1.00 0.00 C ATOM 218 O ASP A 15 -8.610 7.540 0.272 1.00 0.00 O ATOM 219 CB ASP A 15 -10.781 8.949 1.663 1.00 0.00 C ATOM 220 CG ASP A 15 -10.553 8.029 2.881 1.00 0.00 C ATOM 221 OD1 ASP A 15 -10.704 6.814 2.768 1.00 0.00 O ATOM 222 OD2 ASP A 15 -10.229 8.559 3.944 1.00 0.00 O ATOM 0 H ASP A 15 -12.335 7.432 -0.922 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.852 9.141 -0.400 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -9.949 9.652 1.616 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -11.682 9.534 1.851 1.00 0.00 H new ATOM 227 N GLU A 16 -10.202 6.292 -0.792 1.00 0.00 N ATOM 228 CA GLU A 16 -9.340 5.216 -1.277 1.00 0.00 C ATOM 229 C GLU A 16 -8.976 5.447 -2.756 1.00 0.00 C ATOM 230 O GLU A 16 -9.650 6.151 -3.499 1.00 0.00 O ATOM 231 CB GLU A 16 -10.143 3.905 -1.256 1.00 0.00 C ATOM 232 CG GLU A 16 -10.318 3.308 0.138 1.00 0.00 C ATOM 233 CD GLU A 16 -11.329 2.139 0.182 1.00 0.00 C ATOM 234 OE1 GLU A 16 -11.475 1.435 -0.821 1.00 0.00 O ATOM 235 OE2 GLU A 16 -11.961 1.945 1.223 1.00 0.00 O ATOM 0 H GLU A 16 -11.178 6.178 -1.065 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.448 5.182 -0.651 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -11.127 4.086 -1.689 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.644 3.175 -1.893 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.351 2.957 0.499 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.648 4.090 0.822 1.00 0.00 H new ATOM 242 N LEU A 17 -7.868 4.765 -3.121 1.00 0.00 N ATOM 243 CA LEU A 17 -7.392 4.786 -4.521 1.00 0.00 C ATOM 244 C LEU A 17 -7.004 3.384 -5.004 1.00 0.00 C ATOM 245 O LEU A 17 -6.737 2.452 -4.253 1.00 0.00 O ATOM 246 CB LEU A 17 -6.438 5.926 -4.925 1.00 0.00 C ATOM 247 CG LEU A 17 -4.998 5.951 -4.396 1.00 0.00 C ATOM 248 CD1 LEU A 17 -4.900 6.271 -2.943 1.00 0.00 C ATOM 249 CD2 LEU A 17 -4.073 4.790 -4.759 1.00 0.00 C ATOM 0 H LEU A 17 -7.299 4.207 -2.484 1.00 0.00 H new ATOM 0 HA LEU A 17 -8.263 5.085 -5.105 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -6.383 5.931 -6.014 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.909 6.863 -4.626 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.601 6.783 -4.977 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.853 6.271 -2.640 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.331 7.255 -2.757 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.444 5.522 -2.368 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.092 4.953 -4.312 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.494 3.858 -4.382 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.972 4.730 -5.843 1.00 0.00 H new ATOM 261 N SER A 18 -7.025 3.349 -6.347 1.00 0.00 N ATOM 262 CA SER A 18 -6.777 2.174 -7.150 1.00 0.00 C ATOM 263 C SER A 18 -5.277 1.972 -7.418 1.00 0.00 C ATOM 264 O SER A 18 -4.455 2.873 -7.313 1.00 0.00 O ATOM 265 CB SER A 18 -7.459 2.485 -8.516 1.00 0.00 C ATOM 266 OG SER A 18 -8.904 2.829 -8.583 1.00 0.00 O ATOM 0 H SER A 18 -7.224 4.177 -6.909 1.00 0.00 H new ATOM 0 HA SER A 18 -7.148 1.281 -6.648 1.00 0.00 H new ATOM 0 HB2 SER A 18 -6.911 3.313 -8.967 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.306 1.616 -9.156 1.00 0.00 H new ATOM 0 HG SER A 18 -9.158 2.994 -9.515 1.00 0.00 H new ATOM 272 N PHE A 19 -5.028 0.705 -7.796 1.00 0.00 N ATOM 273 CA PHE A 19 -3.708 0.212 -8.153 1.00 0.00 C ATOM 274 C PHE A 19 -3.903 -1.061 -8.964 1.00 0.00 C ATOM 275 O PHE A 19 -4.918 -1.740 -8.885 1.00 0.00 O ATOM 276 CB PHE A 19 -2.804 -0.075 -6.939 1.00 0.00 C ATOM 277 CG PHE A 19 -3.471 -0.877 -5.849 1.00 0.00 C ATOM 278 CD1 PHE A 19 -3.486 -2.266 -5.896 1.00 0.00 C ATOM 279 CD2 PHE A 19 -4.054 -0.239 -4.757 1.00 0.00 C ATOM 280 CE1 PHE A 19 -4.033 -3.008 -4.858 1.00 0.00 C ATOM 281 CE2 PHE A 19 -4.619 -0.977 -3.725 1.00 0.00 C ATOM 282 CZ PHE A 19 -4.599 -2.363 -3.769 1.00 0.00 C ATOM 0 H PHE A 19 -5.756 -0.006 -7.859 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.197 0.989 -8.722 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.918 -0.611 -7.279 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.463 0.872 -6.521 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -3.067 -2.775 -6.751 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.067 0.840 -4.712 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -4.018 -4.087 -4.899 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.075 -0.471 -2.887 1.00 0.00 H new ATOM 0 HZ PHE A 19 -5.023 -2.937 -2.958 1.00 0.00 H new ATOM 292 N LYS A 20 -2.857 -1.303 -9.760 1.00 0.00 N ATOM 293 CA LYS A 20 -2.783 -2.469 -10.618 1.00 0.00 C ATOM 294 C LYS A 20 -1.698 -3.363 -10.024 1.00 0.00 C ATOM 295 O LYS A 20 -0.674 -2.873 -9.568 1.00 0.00 O ATOM 296 CB LYS A 20 -2.538 -2.101 -12.084 1.00 0.00 C ATOM 297 CG LYS A 20 -1.413 -1.100 -12.157 1.00 0.00 C ATOM 298 CD LYS A 20 -1.002 -0.663 -13.562 1.00 0.00 C ATOM 299 CE LYS A 20 0.160 0.331 -13.492 1.00 0.00 C ATOM 300 NZ LYS A 20 0.531 0.848 -14.802 1.00 0.00 N ATOM 0 H LYS A 20 -2.043 -0.691 -9.821 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.734 -3.001 -10.645 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.287 -2.992 -12.659 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.443 -1.683 -12.524 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.703 -0.214 -11.592 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.541 -1.525 -11.659 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.710 -1.533 -14.150 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.851 -0.205 -14.070 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.115 1.161 -12.842 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.024 -0.156 -13.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.321 1.516 -14.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.820 0.061 -15.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -0.283 1.337 -15.226 1.00 0.00 H new ATOM 314 N ARG A 21 -1.998 -4.676 -10.033 1.00 0.00 N ATOM 315 CA ARG A 21 -1.057 -5.685 -9.535 1.00 0.00 C ATOM 316 C ARG A 21 0.382 -5.428 -10.052 1.00 0.00 C ATOM 317 O ARG A 21 0.715 -5.712 -11.197 1.00 0.00 O ATOM 318 CB ARG A 21 -1.551 -7.059 -10.010 1.00 0.00 C ATOM 319 CG ARG A 21 -0.731 -8.244 -9.481 1.00 0.00 C ATOM 320 CD ARG A 21 0.311 -8.751 -10.477 1.00 0.00 C ATOM 321 NE ARG A 21 0.919 -9.968 -9.958 1.00 0.00 N ATOM 322 CZ ARG A 21 1.902 -10.605 -10.619 1.00 0.00 C ATOM 323 NH1 ARG A 21 2.370 -10.139 -11.770 1.00 0.00 N ATOM 324 NH2 ARG A 21 2.410 -11.718 -10.111 1.00 0.00 N ATOM 0 H ARG A 21 -2.879 -5.056 -10.378 1.00 0.00 H new ATOM 0 HA ARG A 21 -1.018 -5.639 -8.447 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.589 -7.185 -9.702 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.537 -7.080 -11.100 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -0.229 -7.947 -8.560 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -1.407 -9.060 -9.226 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -0.156 -8.947 -11.442 1.00 0.00 H new ATOM 0 HD3 ARG A 21 1.074 -7.991 -10.641 1.00 0.00 H new ATOM 0 HE ARG A 21 0.591 -10.347 -9.070 1.00 0.00 H new ATOM 0 HH11 ARG A 21 1.984 -9.283 -12.169 1.00 0.00 H new ATOM 0 HH12 ARG A 21 3.116 -10.637 -12.256 1.00 0.00 H new ATOM 0 HH21 ARG A 21 2.055 -12.084 -9.227 1.00 0.00 H new ATOM 0 HH22 ARG A 21 3.156 -12.209 -10.604 1.00 0.00 H new ATOM 338 N GLY A 22 1.186 -4.864 -9.125 1.00 0.00 N ATOM 339 CA GLY A 22 2.578 -4.542 -9.409 1.00 0.00 C ATOM 340 C GLY A 22 2.970 -3.086 -9.118 1.00 0.00 C ATOM 341 O GLY A 22 4.132 -2.742 -9.300 1.00 0.00 O ATOM 0 H GLY A 22 0.885 -4.628 -8.180 1.00 0.00 H new ATOM 0 HA2 GLY A 22 3.217 -5.201 -8.821 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.780 -4.756 -10.459 1.00 0.00 H new ATOM 345 N ASP A 23 2.005 -2.233 -8.670 1.00 0.00 N ATOM 346 CA ASP A 23 2.414 -0.861 -8.401 1.00 0.00 C ATOM 347 C ASP A 23 3.255 -0.798 -7.118 1.00 0.00 C ATOM 348 O ASP A 23 3.109 -1.587 -6.193 1.00 0.00 O ATOM 349 CB ASP A 23 1.199 0.076 -8.247 1.00 0.00 C ATOM 350 CG ASP A 23 0.485 0.418 -9.566 1.00 0.00 C ATOM 351 OD1 ASP A 23 1.076 0.249 -10.631 1.00 0.00 O ATOM 352 OD2 ASP A 23 -0.651 0.886 -9.511 1.00 0.00 O ATOM 0 H ASP A 23 1.025 -2.460 -8.504 1.00 0.00 H new ATOM 0 HA ASP A 23 3.006 -0.528 -9.254 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.482 -0.388 -7.570 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.528 1.002 -7.776 1.00 0.00 H new ATOM 357 N ILE A 24 4.147 0.210 -7.162 1.00 0.00 N ATOM 358 CA ILE A 24 5.039 0.527 -6.056 1.00 0.00 C ATOM 359 C ILE A 24 4.406 1.771 -5.417 1.00 0.00 C ATOM 360 O ILE A 24 4.245 2.806 -6.055 1.00 0.00 O ATOM 361 CB ILE A 24 6.475 0.778 -6.555 1.00 0.00 C ATOM 362 CG1 ILE A 24 7.025 -0.469 -7.282 1.00 0.00 C ATOM 363 CG2 ILE A 24 7.397 1.179 -5.391 1.00 0.00 C ATOM 364 CD1 ILE A 24 8.370 -0.234 -7.978 1.00 0.00 C ATOM 0 H ILE A 24 4.261 0.821 -7.971 1.00 0.00 H new ATOM 0 HA ILE A 24 5.139 -0.287 -5.337 1.00 0.00 H new ATOM 0 HB ILE A 24 6.448 1.604 -7.265 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.136 -1.279 -6.561 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.296 -0.798 -8.022 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.405 1.351 -5.768 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.022 2.092 -4.928 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.418 0.379 -4.651 1.00 0.00 H new ATOM 0 HD11 ILE A 24 8.693 -1.154 -8.466 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.261 0.554 -8.723 1.00 0.00 H new ATOM 0 HD13 ILE A 24 9.114 0.065 -7.240 1.00 0.00 H new ATOM 376 N LEU A 25 4.031 1.584 -4.136 1.00 0.00 N ATOM 377 CA LEU A 25 3.366 2.627 -3.381 1.00 0.00 C ATOM 378 C LEU A 25 4.289 3.114 -2.283 1.00 0.00 C ATOM 379 O LEU A 25 5.364 2.584 -2.022 1.00 0.00 O ATOM 380 CB LEU A 25 2.055 2.098 -2.760 1.00 0.00 C ATOM 381 CG LEU A 25 1.119 1.439 -3.768 1.00 0.00 C ATOM 382 CD1 LEU A 25 1.418 -0.053 -3.993 1.00 0.00 C ATOM 383 CD2 LEU A 25 -0.345 1.569 -3.335 1.00 0.00 C ATOM 0 H LEU A 25 4.183 0.719 -3.618 1.00 0.00 H new ATOM 0 HA LEU A 25 3.123 3.449 -4.054 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.299 1.377 -1.979 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.532 2.925 -2.279 1.00 0.00 H new ATOM 0 HG LEU A 25 1.292 1.971 -4.704 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.716 -0.459 -4.721 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.435 -0.168 -4.367 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.315 -0.591 -3.051 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.987 1.090 -4.074 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.482 1.086 -2.367 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.609 2.624 -3.255 1.00 0.00 H new ATOM 395 N LYS A 26 3.731 4.155 -1.655 1.00 0.00 N ATOM 396 CA LYS A 26 4.419 4.789 -0.546 1.00 0.00 C ATOM 397 C LYS A 26 3.462 4.910 0.618 1.00 0.00 C ATOM 398 O LYS A 26 2.690 5.846 0.708 1.00 0.00 O ATOM 399 CB LYS A 26 5.040 6.120 -0.968 1.00 0.00 C ATOM 400 CG LYS A 26 5.747 6.850 0.189 1.00 0.00 C ATOM 401 CD LYS A 26 6.923 7.712 -0.274 1.00 0.00 C ATOM 402 CE LYS A 26 8.077 6.855 -0.803 1.00 0.00 C ATOM 403 NZ LYS A 26 9.236 7.658 -1.175 1.00 0.00 N ATOM 0 H LYS A 26 2.827 4.562 -1.894 1.00 0.00 H new ATOM 0 HA LYS A 26 5.258 4.173 -0.222 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.757 5.942 -1.769 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.261 6.765 -1.375 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.025 7.480 0.708 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.105 6.115 0.910 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.589 8.395 -1.055 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.275 8.325 0.556 1.00 0.00 H new ATOM 0 HE2 LYS A 26 8.368 6.131 -0.042 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.738 6.287 -1.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.991 7.035 -1.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.967 8.332 -1.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 9.578 8.180 -0.343 1.00 0.00 H new ATOM 417 N VAL A 27 3.635 3.941 1.544 1.00 0.00 N ATOM 418 CA VAL A 27 2.762 3.912 2.711 1.00 0.00 C ATOM 419 C VAL A 27 3.490 4.821 3.697 1.00 0.00 C ATOM 420 O VAL A 27 4.515 4.517 4.295 1.00 0.00 O ATOM 421 CB VAL A 27 2.529 2.482 3.239 1.00 0.00 C ATOM 422 CG1 VAL A 27 1.924 2.474 4.654 1.00 0.00 C ATOM 423 CG2 VAL A 27 1.621 1.667 2.309 1.00 0.00 C ATOM 0 H VAL A 27 4.340 3.205 1.502 1.00 0.00 H new ATOM 0 HA VAL A 27 1.748 4.254 2.505 1.00 0.00 H new ATOM 0 HB VAL A 27 3.515 2.020 3.273 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.779 1.445 4.982 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.600 2.982 5.342 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.964 2.990 4.642 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.484 0.667 2.719 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.653 2.160 2.223 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.081 1.595 1.323 1.00 0.00 H new ATOM 433 N LEU A 28 2.829 5.989 3.743 1.00 0.00 N ATOM 434 CA LEU A 28 3.258 7.142 4.500 1.00 0.00 C ATOM 435 C LEU A 28 2.662 7.111 5.917 1.00 0.00 C ATOM 436 O LEU A 28 3.303 7.527 6.871 1.00 0.00 O ATOM 437 CB LEU A 28 2.823 8.357 3.646 1.00 0.00 C ATOM 438 CG LEU A 28 3.648 9.634 3.901 1.00 0.00 C ATOM 439 CD1 LEU A 28 3.653 10.559 2.674 1.00 0.00 C ATOM 440 CD2 LEU A 28 3.149 10.392 5.142 1.00 0.00 C ATOM 0 H LEU A 28 1.959 6.146 3.235 1.00 0.00 H new ATOM 0 HA LEU A 28 4.334 7.179 4.672 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.900 8.092 2.591 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.773 8.570 3.845 1.00 0.00 H new ATOM 0 HG LEU A 28 4.673 9.315 4.089 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.244 11.449 2.891 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.087 10.033 1.824 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.631 10.852 2.435 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.754 11.286 5.290 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.107 10.679 4.999 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.231 9.749 6.018 1.00 0.00 H new ATOM 452 N ASN A 29 1.427 6.568 5.997 1.00 0.00 N ATOM 453 CA ASN A 29 0.740 6.442 7.282 1.00 0.00 C ATOM 454 C ASN A 29 -0.235 5.252 7.219 1.00 0.00 C ATOM 455 O ASN A 29 -0.489 4.654 6.180 1.00 0.00 O ATOM 456 CB ASN A 29 -0.006 7.749 7.645 1.00 0.00 C ATOM 457 CG ASN A 29 0.926 8.795 8.285 1.00 0.00 C ATOM 458 OD1 ASN A 29 1.765 8.488 9.120 1.00 0.00 O ATOM 459 ND2 ASN A 29 0.714 10.050 7.863 1.00 0.00 N ATOM 0 H ASN A 29 0.901 6.218 5.196 1.00 0.00 H new ATOM 0 HA ASN A 29 1.477 6.262 8.064 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -0.457 8.169 6.746 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -0.820 7.521 8.333 1.00 0.00 H new ATOM 0 HD21 ASN A 29 1.270 10.816 8.242 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -0.003 10.238 7.163 1.00 0.00 H new ATOM 466 N GLU A 30 -0.745 4.975 8.436 1.00 0.00 N ATOM 467 CA GLU A 30 -1.709 3.920 8.729 1.00 0.00 C ATOM 468 C GLU A 30 -2.432 4.348 10.020 1.00 0.00 C ATOM 469 O GLU A 30 -1.841 5.019 10.858 1.00 0.00 O ATOM 470 CB GLU A 30 -0.986 2.570 8.900 1.00 0.00 C ATOM 471 CG GLU A 30 0.011 2.543 10.076 1.00 0.00 C ATOM 472 CD GLU A 30 0.750 1.196 10.176 1.00 0.00 C ATOM 473 OE1 GLU A 30 0.111 0.157 10.035 1.00 0.00 O ATOM 474 OE2 GLU A 30 1.960 1.196 10.397 1.00 0.00 O ATOM 0 H GLU A 30 -0.480 5.506 9.266 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.425 3.785 7.918 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.729 1.787 9.048 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.453 2.334 7.979 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.737 3.347 9.954 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.522 2.734 11.007 1.00 0.00 H new ATOM 481 N GLU A 31 -3.722 3.956 10.142 1.00 0.00 N ATOM 482 CA GLU A 31 -4.536 4.274 11.273 1.00 0.00 C ATOM 483 C GLU A 31 -4.459 3.080 12.253 1.00 0.00 C ATOM 484 O GLU A 31 -3.545 2.264 12.238 1.00 0.00 O ATOM 485 CB GLU A 31 -5.925 4.550 10.635 1.00 0.00 C ATOM 486 CG GLU A 31 -6.923 5.284 11.536 1.00 0.00 C ATOM 487 CD GLU A 31 -7.791 6.300 10.776 1.00 0.00 C ATOM 488 OE1 GLU A 31 -7.283 7.373 10.450 1.00 0.00 O ATOM 489 OE2 GLU A 31 -8.963 6.014 10.532 1.00 0.00 O ATOM 0 H GLU A 31 -4.205 3.404 9.433 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.246 5.136 11.873 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.780 5.136 9.728 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -6.364 3.599 10.333 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.571 4.553 12.021 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.378 5.801 12.326 1.00 0.00 H new ATOM 496 N CYS A 32 -5.495 3.059 13.084 1.00 0.00 N ATOM 497 CA CYS A 32 -5.721 2.070 14.127 1.00 0.00 C ATOM 498 C CYS A 32 -6.201 0.740 13.530 1.00 0.00 C ATOM 499 O CYS A 32 -5.981 -0.326 14.091 1.00 0.00 O ATOM 500 CB CYS A 32 -6.771 2.630 15.092 1.00 0.00 C ATOM 501 SG CYS A 32 -6.242 4.183 15.857 1.00 0.00 S ATOM 0 H CYS A 32 -6.232 3.763 13.046 1.00 0.00 H new ATOM 0 HA CYS A 32 -4.788 1.872 14.654 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -7.705 2.792 14.555 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -6.974 1.895 15.871 1.00 0.00 H new ATOM 0 HG CYS A 32 -7.171 4.609 16.660 1.00 0.00 H new ATOM 507 N ASP A 33 -6.867 0.871 12.362 1.00 0.00 N ATOM 508 CA ASP A 33 -7.383 -0.301 11.669 1.00 0.00 C ATOM 509 C ASP A 33 -6.202 -1.051 11.033 1.00 0.00 C ATOM 510 O ASP A 33 -5.306 -0.468 10.434 1.00 0.00 O ATOM 511 CB ASP A 33 -8.393 0.104 10.584 1.00 0.00 C ATOM 512 CG ASP A 33 -9.636 0.859 11.094 1.00 0.00 C ATOM 513 OD1 ASP A 33 -9.602 1.465 12.166 1.00 0.00 O ATOM 514 OD2 ASP A 33 -10.642 0.819 10.388 1.00 0.00 O ATOM 0 H ASP A 33 -7.051 1.761 11.898 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.899 -0.944 12.382 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.883 0.729 9.851 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.722 -0.795 10.063 1.00 0.00 H new ATOM 519 N GLN A 34 -6.276 -2.380 11.224 1.00 0.00 N ATOM 520 CA GLN A 34 -5.315 -3.341 10.757 1.00 0.00 C ATOM 521 C GLN A 34 -6.090 -4.162 9.731 1.00 0.00 C ATOM 522 O GLN A 34 -6.576 -5.256 9.976 1.00 0.00 O ATOM 523 CB GLN A 34 -4.916 -4.148 11.989 1.00 0.00 C ATOM 524 CG GLN A 34 -4.046 -5.348 11.648 1.00 0.00 C ATOM 525 CD GLN A 34 -3.644 -6.144 12.893 1.00 0.00 C ATOM 526 OE1 GLN A 34 -4.249 -7.151 13.237 1.00 0.00 O ATOM 527 NE2 GLN A 34 -2.590 -5.633 13.546 1.00 0.00 N ATOM 0 H GLN A 34 -7.048 -2.812 11.732 1.00 0.00 H new ATOM 0 HA GLN A 34 -4.407 -2.946 10.301 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -4.380 -3.501 12.684 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -5.815 -4.490 12.501 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -4.583 -6.000 10.960 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -3.149 -5.009 11.130 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -2.135 -4.788 13.199 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -2.243 -6.089 14.390 1.00 0.00 H new ATOM 536 N ASN A 35 -6.189 -3.477 8.590 1.00 0.00 N ATOM 537 CA ASN A 35 -6.900 -3.905 7.411 1.00 0.00 C ATOM 538 C ASN A 35 -6.714 -2.843 6.306 1.00 0.00 C ATOM 539 O ASN A 35 -6.875 -3.160 5.140 1.00 0.00 O ATOM 540 CB ASN A 35 -8.398 -4.030 7.732 1.00 0.00 C ATOM 541 CG ASN A 35 -8.809 -5.418 8.244 1.00 0.00 C ATOM 542 OD1 ASN A 35 -8.180 -6.429 7.965 1.00 0.00 O ATOM 543 ND2 ASN A 35 -9.926 -5.388 8.982 1.00 0.00 N ATOM 0 H ASN A 35 -5.749 -2.565 8.470 1.00 0.00 H new ATOM 0 HA ASN A 35 -6.515 -4.869 7.079 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -8.663 -3.284 8.481 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -8.973 -3.799 6.835 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -10.312 -6.254 9.358 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -10.390 -4.499 9.168 1.00 0.00 H new ATOM 550 N TRP A 36 -6.409 -1.574 6.699 1.00 0.00 N ATOM 551 CA TRP A 36 -6.239 -0.509 5.703 1.00 0.00 C ATOM 552 C TRP A 36 -5.064 0.423 6.052 1.00 0.00 C ATOM 553 O TRP A 36 -4.942 0.956 7.145 1.00 0.00 O ATOM 554 CB TRP A 36 -7.505 0.367 5.607 1.00 0.00 C ATOM 555 CG TRP A 36 -8.685 -0.485 5.207 1.00 0.00 C ATOM 556 CD1 TRP A 36 -9.398 -1.349 6.046 1.00 0.00 C ATOM 557 CD2 TRP A 36 -9.209 -0.662 3.875 1.00 0.00 C ATOM 558 NE1 TRP A 36 -10.291 -2.042 5.300 1.00 0.00 N ATOM 559 CE2 TRP A 36 -10.205 -1.657 3.970 1.00 0.00 C ATOM 560 CE3 TRP A 36 -8.922 -0.097 2.658 1.00 0.00 C ATOM 561 CZ2 TRP A 36 -10.877 -2.056 2.853 1.00 0.00 C ATOM 562 CZ3 TRP A 36 -9.613 -0.503 1.517 1.00 0.00 C ATOM 563 CH2 TRP A 36 -10.594 -1.487 1.612 1.00 0.00 C ATOM 0 H TRP A 36 -6.282 -1.282 7.668 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.044 -1.012 4.756 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -7.700 0.848 6.566 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -7.354 1.162 4.877 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -9.259 -1.447 7.113 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -10.934 -2.745 5.664 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -8.159 0.664 2.584 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -11.636 -2.820 2.930 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -9.388 -0.055 0.561 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -11.131 -1.807 0.731 1.00 0.00 H new ATOM 574 N TYR A 37 -4.239 0.596 5.008 1.00 0.00 N ATOM 575 CA TYR A 37 -3.082 1.491 5.027 1.00 0.00 C ATOM 576 C TYR A 37 -3.488 2.712 4.209 1.00 0.00 C ATOM 577 O TYR A 37 -4.579 2.760 3.667 1.00 0.00 O ATOM 578 CB TYR A 37 -1.872 0.845 4.327 1.00 0.00 C ATOM 579 CG TYR A 37 -1.336 -0.353 5.046 1.00 0.00 C ATOM 580 CD1 TYR A 37 -1.193 -0.342 6.425 1.00 0.00 C ATOM 581 CD2 TYR A 37 -0.951 -1.481 4.331 1.00 0.00 C ATOM 582 CE1 TYR A 37 -0.666 -1.432 7.091 1.00 0.00 C ATOM 583 CE2 TYR A 37 -0.414 -2.582 4.980 1.00 0.00 C ATOM 584 CZ TYR A 37 -0.251 -2.557 6.374 1.00 0.00 C ATOM 585 OH TYR A 37 0.306 -3.633 7.053 1.00 0.00 O ATOM 0 H TYR A 37 -4.362 0.111 4.119 1.00 0.00 H new ATOM 0 HA TYR A 37 -2.804 1.727 6.054 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -2.160 0.554 3.317 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -1.079 1.587 4.232 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -1.497 0.529 6.986 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -1.072 -1.500 3.258 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -0.575 -1.414 8.167 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.122 -3.455 4.415 1.00 0.00 H new ATOM 0 HH TYR A 37 0.777 -4.212 6.418 1.00 0.00 H new ATOM 595 N LYS A 38 -2.551 3.671 4.153 1.00 0.00 N ATOM 596 CA LYS A 38 -2.716 4.904 3.398 1.00 0.00 C ATOM 597 C LYS A 38 -1.393 5.110 2.644 1.00 0.00 C ATOM 598 O LYS A 38 -0.353 5.247 3.277 1.00 0.00 O ATOM 599 CB LYS A 38 -3.022 6.042 4.377 1.00 0.00 C ATOM 600 CG LYS A 38 -3.319 7.385 3.712 1.00 0.00 C ATOM 601 CD LYS A 38 -3.840 8.374 4.757 1.00 0.00 C ATOM 602 CE LYS A 38 -4.063 9.767 4.186 1.00 0.00 C ATOM 603 NZ LYS A 38 -4.654 10.689 5.147 1.00 0.00 N ATOM 0 H LYS A 38 -1.655 3.604 4.636 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.542 4.873 2.687 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -3.877 5.757 4.990 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.173 6.164 5.050 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.416 7.778 3.244 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.057 7.255 2.921 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.777 8.000 5.170 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.130 8.433 5.582 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.110 10.170 3.843 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -4.712 9.696 3.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -4.782 11.620 4.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -5.577 10.323 5.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.025 10.783 5.970 1.00 0.00 H new ATOM 617 N ALA A 39 -1.458 5.111 1.287 1.00 0.00 N ATOM 618 CA ALA A 39 -0.213 5.271 0.538 1.00 0.00 C ATOM 619 C ALA A 39 -0.386 6.249 -0.614 1.00 0.00 C ATOM 620 O ALA A 39 -1.489 6.691 -0.902 1.00 0.00 O ATOM 621 CB ALA A 39 0.186 3.898 -0.011 1.00 0.00 C ATOM 0 H ALA A 39 -2.307 5.009 0.730 1.00 0.00 H new ATOM 0 HA ALA A 39 0.558 5.668 1.198 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.114 3.988 -0.576 1.00 0.00 H new ATOM 0 HB2 ALA A 39 0.330 3.203 0.816 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.602 3.525 -0.665 1.00 0.00 H new ATOM 627 N GLU A 40 0.772 6.533 -1.258 1.00 0.00 N ATOM 628 CA GLU A 40 0.762 7.480 -2.372 1.00 0.00 C ATOM 629 C GLU A 40 0.953 6.750 -3.717 1.00 0.00 C ATOM 630 O GLU A 40 1.834 5.913 -3.880 1.00 0.00 O ATOM 631 CB GLU A 40 1.890 8.496 -2.128 1.00 0.00 C ATOM 632 CG GLU A 40 2.025 9.574 -3.223 1.00 0.00 C ATOM 633 CD GLU A 40 3.316 10.397 -3.055 1.00 0.00 C ATOM 634 OE1 GLU A 40 4.396 9.803 -3.033 1.00 0.00 O ATOM 635 OE2 GLU A 40 3.232 11.620 -2.955 1.00 0.00 O ATOM 0 H GLU A 40 1.683 6.134 -1.030 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.199 7.992 -2.426 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.719 8.988 -1.170 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.835 7.959 -2.046 1.00 0.00 H new ATOM 0 HG2 GLU A 40 2.021 9.099 -4.204 1.00 0.00 H new ATOM 0 HG3 GLU A 40 1.162 10.239 -3.188 1.00 0.00 H new ATOM 642 N LEU A 41 0.068 7.155 -4.656 1.00 0.00 N ATOM 643 CA LEU A 41 0.089 6.630 -6.021 1.00 0.00 C ATOM 644 C LEU A 41 -0.644 7.501 -7.012 1.00 0.00 C ATOM 645 O LEU A 41 -1.789 7.883 -6.813 1.00 0.00 O ATOM 646 CB LEU A 41 -0.764 5.356 -6.175 1.00 0.00 C ATOM 647 CG LEU A 41 -0.072 4.031 -5.939 1.00 0.00 C ATOM 648 CD1 LEU A 41 -1.154 2.963 -6.024 1.00 0.00 C ATOM 649 CD2 LEU A 41 0.931 3.803 -7.071 1.00 0.00 C ATOM 0 H LEU A 41 -0.665 7.843 -4.484 1.00 0.00 H new ATOM 0 HA LEU A 41 1.158 6.519 -6.200 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.605 5.426 -5.485 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.179 5.346 -7.183 1.00 0.00 H new ATOM 0 HG LEU A 41 0.444 4.006 -4.979 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.710 1.981 -5.861 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.911 3.150 -5.262 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.617 2.992 -7.010 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.441 2.852 -6.919 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.405 3.784 -8.025 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.663 4.610 -7.076 1.00 0.00 H new ATOM 661 N ASN A 42 0.071 7.699 -8.136 1.00 0.00 N ATOM 662 CA ASN A 42 -0.553 8.339 -9.282 1.00 0.00 C ATOM 663 C ASN A 42 -1.175 9.723 -8.982 1.00 0.00 C ATOM 664 O ASN A 42 -2.190 10.111 -9.548 1.00 0.00 O ATOM 665 CB ASN A 42 -1.561 7.251 -9.750 1.00 0.00 C ATOM 666 CG ASN A 42 -1.462 6.913 -11.234 1.00 0.00 C ATOM 667 OD1 ASN A 42 -1.701 7.720 -12.121 1.00 0.00 O ATOM 668 ND2 ASN A 42 -1.075 5.639 -11.413 1.00 0.00 N ATOM 0 H ASN A 42 1.047 7.431 -8.263 1.00 0.00 H new ATOM 0 HA ASN A 42 0.156 8.619 -10.061 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.396 6.343 -9.169 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -2.574 7.590 -9.532 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -0.957 5.270 -12.356 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -0.899 5.041 -10.605 1.00 0.00 H new ATOM 675 N GLY A 43 -0.502 10.425 -8.045 1.00 0.00 N ATOM 676 CA GLY A 43 -0.945 11.751 -7.623 1.00 0.00 C ATOM 677 C GLY A 43 -2.215 11.733 -6.758 1.00 0.00 C ATOM 678 O GLY A 43 -2.922 12.731 -6.662 1.00 0.00 O ATOM 0 H GLY A 43 0.340 10.091 -7.577 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.142 12.231 -7.064 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.127 12.362 -8.507 1.00 0.00 H new ATOM 682 N LYS A 44 -2.487 10.545 -6.164 1.00 0.00 N ATOM 683 CA LYS A 44 -3.640 10.352 -5.308 1.00 0.00 C ATOM 684 C LYS A 44 -3.205 9.541 -4.090 1.00 0.00 C ATOM 685 O LYS A 44 -2.771 8.400 -4.191 1.00 0.00 O ATOM 686 CB LYS A 44 -4.752 9.618 -6.076 1.00 0.00 C ATOM 687 CG LYS A 44 -5.289 10.430 -7.262 1.00 0.00 C ATOM 688 CD LYS A 44 -6.060 11.692 -6.845 1.00 0.00 C ATOM 689 CE LYS A 44 -6.358 12.618 -8.028 1.00 0.00 C ATOM 690 NZ LYS A 44 -5.146 13.251 -8.546 1.00 0.00 N ATOM 0 H LYS A 44 -1.908 9.713 -6.275 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.034 11.316 -4.986 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.369 8.664 -6.438 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.572 9.394 -5.394 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.455 10.719 -7.901 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.944 9.795 -7.859 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.997 11.401 -6.371 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.482 12.237 -6.099 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.837 12.047 -8.823 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.065 13.388 -7.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.304 14.274 -8.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.359 13.085 -7.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.912 12.845 -9.474 1.00 0.00 H new ATOM 704 N ASP A 45 -3.334 10.229 -2.946 1.00 0.00 N ATOM 705 CA ASP A 45 -3.020 9.631 -1.662 1.00 0.00 C ATOM 706 C ASP A 45 -4.385 9.164 -1.106 1.00 0.00 C ATOM 707 O ASP A 45 -5.360 9.909 -1.102 1.00 0.00 O ATOM 708 CB ASP A 45 -2.322 10.671 -0.778 1.00 0.00 C ATOM 709 CG ASP A 45 -1.972 10.065 0.586 1.00 0.00 C ATOM 710 OD1 ASP A 45 -2.838 10.081 1.455 1.00 0.00 O ATOM 711 OD2 ASP A 45 -0.852 9.584 0.762 1.00 0.00 O ATOM 0 H ASP A 45 -3.653 11.196 -2.895 1.00 0.00 H new ATOM 0 HA ASP A 45 -2.331 8.788 -1.717 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -1.416 11.025 -1.269 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.970 11.537 -0.643 1.00 0.00 H new ATOM 716 N GLY A 46 -4.392 7.899 -0.656 1.00 0.00 N ATOM 717 CA GLY A 46 -5.635 7.293 -0.180 1.00 0.00 C ATOM 718 C GLY A 46 -5.395 5.912 0.410 1.00 0.00 C ATOM 719 O GLY A 46 -4.290 5.387 0.389 1.00 0.00 O ATOM 0 H GLY A 46 -3.572 7.294 -0.614 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.089 7.937 0.573 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -6.343 7.219 -1.005 1.00 0.00 H new ATOM 723 N PHE A 47 -6.513 5.343 0.902 1.00 0.00 N ATOM 724 CA PHE A 47 -6.449 4.028 1.530 1.00 0.00 C ATOM 725 C PHE A 47 -6.426 2.867 0.513 1.00 0.00 C ATOM 726 O PHE A 47 -6.952 2.938 -0.591 1.00 0.00 O ATOM 727 CB PHE A 47 -7.610 3.878 2.521 1.00 0.00 C ATOM 728 CG PHE A 47 -7.438 4.774 3.720 1.00 0.00 C ATOM 729 CD1 PHE A 47 -7.736 6.129 3.636 1.00 0.00 C ATOM 730 CD2 PHE A 47 -6.978 4.264 4.932 1.00 0.00 C ATOM 731 CE1 PHE A 47 -7.574 6.956 4.737 1.00 0.00 C ATOM 732 CE2 PHE A 47 -6.822 5.088 6.040 1.00 0.00 C ATOM 733 CZ PHE A 47 -7.122 6.437 5.941 1.00 0.00 C ATOM 0 H PHE A 47 -7.441 5.766 0.875 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.501 3.966 2.065 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -8.549 4.116 2.021 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -7.677 2.841 2.849 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -8.097 6.541 2.705 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -6.739 3.214 5.012 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -7.801 8.009 4.657 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -6.468 4.678 6.975 1.00 0.00 H new ATOM 0 HZ PHE A 47 -7.004 7.082 6.799 1.00 0.00 H new ATOM 743 N ILE A 48 -5.736 1.810 1.001 1.00 0.00 N ATOM 744 CA ILE A 48 -5.528 0.544 0.298 1.00 0.00 C ATOM 745 C ILE A 48 -5.646 -0.603 1.341 1.00 0.00 C ATOM 746 O ILE A 48 -5.241 -0.412 2.480 1.00 0.00 O ATOM 747 CB ILE A 48 -4.131 0.560 -0.369 1.00 0.00 C ATOM 748 CG1 ILE A 48 -2.990 0.661 0.671 1.00 0.00 C ATOM 749 CG2 ILE A 48 -4.028 1.683 -1.419 1.00 0.00 C ATOM 750 CD1 ILE A 48 -1.587 0.704 0.062 1.00 0.00 C ATOM 0 H ILE A 48 -5.300 1.825 1.923 1.00 0.00 H new ATOM 0 HA ILE A 48 -6.271 0.394 -0.485 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.012 -0.394 -0.882 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -3.140 1.558 1.272 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.054 -0.191 1.348 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.036 1.669 -1.870 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.781 1.528 -2.192 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -4.195 2.647 -0.938 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.847 0.775 0.859 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.413 -0.204 -0.515 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.501 1.572 -0.592 1.00 0.00 H new ATOM 762 N PRO A 49 -6.204 -1.789 0.958 1.00 0.00 N ATOM 763 CA PRO A 49 -6.332 -2.918 1.885 1.00 0.00 C ATOM 764 C PRO A 49 -5.014 -3.672 2.160 1.00 0.00 C ATOM 765 O PRO A 49 -4.127 -3.741 1.320 1.00 0.00 O ATOM 766 CB PRO A 49 -7.330 -3.880 1.234 1.00 0.00 C ATOM 767 CG PRO A 49 -7.615 -3.344 -0.169 1.00 0.00 C ATOM 768 CD PRO A 49 -6.836 -2.036 -0.337 1.00 0.00 C ATOM 0 HA PRO A 49 -6.651 -2.535 2.854 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.919 -4.888 1.186 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -8.248 -3.938 1.819 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -7.311 -4.069 -0.924 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -8.683 -3.173 -0.303 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.090 -2.122 -1.128 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -7.500 -1.216 -0.613 1.00 0.00 H new ATOM 776 N LYS A 50 -5.016 -4.330 3.342 1.00 0.00 N ATOM 777 CA LYS A 50 -3.876 -5.097 3.828 1.00 0.00 C ATOM 778 C LYS A 50 -3.647 -6.354 2.981 1.00 0.00 C ATOM 779 O LYS A 50 -2.549 -6.569 2.486 1.00 0.00 O ATOM 780 CB LYS A 50 -4.292 -5.616 5.223 1.00 0.00 C ATOM 781 CG LYS A 50 -3.668 -4.873 6.396 1.00 0.00 C ATOM 782 CD LYS A 50 -2.301 -5.454 6.771 1.00 0.00 C ATOM 783 CE LYS A 50 -1.921 -5.173 8.226 1.00 0.00 C ATOM 784 NZ LYS A 50 -0.648 -5.791 8.570 1.00 0.00 N ATOM 0 H LYS A 50 -5.815 -4.336 3.976 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.982 -4.473 3.812 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -5.377 -5.555 5.309 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -4.026 -6.670 5.297 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -3.558 -3.819 6.142 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -4.335 -4.926 7.257 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.310 -6.531 6.603 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.540 -5.035 6.113 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.860 -4.097 8.387 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.701 -5.550 8.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -0.483 -5.699 9.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.670 -6.798 8.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.119 -5.317 8.051 1.00 0.00 H new ATOM 798 N ASN A 51 -4.720 -7.158 2.821 1.00 0.00 N ATOM 799 CA ASN A 51 -4.565 -8.393 2.036 1.00 0.00 C ATOM 800 C ASN A 51 -4.295 -8.186 0.528 1.00 0.00 C ATOM 801 O ASN A 51 -4.012 -9.155 -0.165 1.00 0.00 O ATOM 802 CB ASN A 51 -5.655 -9.433 2.338 1.00 0.00 C ATOM 803 CG ASN A 51 -7.076 -8.878 2.432 1.00 0.00 C ATOM 804 OD1 ASN A 51 -7.603 -8.682 3.515 1.00 0.00 O ATOM 805 ND2 ASN A 51 -7.675 -8.651 1.261 1.00 0.00 N ATOM 0 H ASN A 51 -5.651 -6.987 3.202 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.631 -8.825 2.394 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -5.631 -10.197 1.561 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -5.412 -9.928 3.279 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -8.630 -8.292 1.238 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -7.178 -8.836 0.390 1.00 0.00 H new ATOM 812 N TYR A 52 -4.338 -6.917 0.053 1.00 0.00 N ATOM 813 CA TYR A 52 -4.047 -6.712 -1.372 1.00 0.00 C ATOM 814 C TYR A 52 -2.580 -6.327 -1.658 1.00 0.00 C ATOM 815 O TYR A 52 -2.176 -6.357 -2.812 1.00 0.00 O ATOM 816 CB TYR A 52 -4.973 -5.619 -1.922 1.00 0.00 C ATOM 817 CG TYR A 52 -6.266 -6.239 -2.355 1.00 0.00 C ATOM 818 CD1 TYR A 52 -7.151 -6.730 -1.409 1.00 0.00 C ATOM 819 CD2 TYR A 52 -6.573 -6.369 -3.702 1.00 0.00 C ATOM 820 CE1 TYR A 52 -8.313 -7.373 -1.788 1.00 0.00 C ATOM 821 CE2 TYR A 52 -7.730 -7.016 -4.101 1.00 0.00 C ATOM 822 CZ TYR A 52 -8.602 -7.540 -3.154 1.00 0.00 C ATOM 823 OH TYR A 52 -9.736 -8.188 -3.623 1.00 0.00 O ATOM 0 H TYR A 52 -4.555 -6.081 0.595 1.00 0.00 H new ATOM 0 HA TYR A 52 -4.220 -7.667 -1.868 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -5.156 -4.863 -1.158 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.499 -5.114 -2.763 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -6.929 -6.608 -0.359 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -5.904 -5.962 -4.445 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -8.996 -7.746 -1.039 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -7.956 -7.114 -5.153 1.00 0.00 H new ATOM 0 HH TYR A 52 -10.284 -8.478 -2.864 1.00 0.00 H new ATOM 833 N ILE A 53 -1.816 -5.970 -0.598 1.00 0.00 N ATOM 834 CA ILE A 53 -0.408 -5.554 -0.776 1.00 0.00 C ATOM 835 C ILE A 53 0.556 -6.284 0.213 1.00 0.00 C ATOM 836 O ILE A 53 0.151 -6.981 1.135 1.00 0.00 O ATOM 837 CB ILE A 53 -0.309 -3.990 -0.687 1.00 0.00 C ATOM 838 CG1 ILE A 53 0.876 -3.495 0.144 1.00 0.00 C ATOM 839 CG2 ILE A 53 -1.588 -3.330 -0.187 1.00 0.00 C ATOM 840 CD1 ILE A 53 1.029 -2.033 0.416 1.00 0.00 C ATOM 0 H ILE A 53 -2.143 -5.962 0.368 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.075 -5.858 -1.768 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.147 -3.686 -1.721 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.833 -4.003 1.107 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.786 -3.831 -0.353 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.449 -2.249 -0.150 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.409 -3.568 -0.864 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.822 -3.700 0.811 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.922 -1.866 1.018 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.122 -1.495 -0.527 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.155 -1.670 0.956 1.00 0.00 H new ATOM 852 N GLU A 54 1.861 -6.016 -0.067 1.00 0.00 N ATOM 853 CA GLU A 54 3.035 -6.405 0.705 1.00 0.00 C ATOM 854 C GLU A 54 3.467 -5.113 1.464 1.00 0.00 C ATOM 855 O GLU A 54 3.396 -4.006 0.958 1.00 0.00 O ATOM 856 CB GLU A 54 4.139 -6.975 -0.188 1.00 0.00 C ATOM 857 CG GLU A 54 5.160 -7.774 0.633 1.00 0.00 C ATOM 858 CD GLU A 54 4.525 -8.980 1.353 1.00 0.00 C ATOM 859 OE1 GLU A 54 3.781 -9.725 0.718 1.00 0.00 O ATOM 860 OE2 GLU A 54 4.772 -9.152 2.545 1.00 0.00 O ATOM 0 H GLU A 54 2.119 -5.485 -0.899 1.00 0.00 H new ATOM 0 HA GLU A 54 2.819 -7.212 1.405 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.698 -7.618 -0.950 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.644 -6.162 -0.710 1.00 0.00 H new ATOM 0 HG2 GLU A 54 5.955 -8.125 -0.025 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.622 -7.117 1.370 1.00 0.00 H new ATOM 867 N MET A 55 4.013 -5.327 2.657 1.00 0.00 N ATOM 868 CA MET A 55 4.318 -4.248 3.586 1.00 0.00 C ATOM 869 C MET A 55 5.633 -3.498 3.364 1.00 0.00 C ATOM 870 O MET A 55 5.822 -2.841 2.359 1.00 0.00 O ATOM 871 CB MET A 55 4.099 -4.852 4.991 1.00 0.00 C ATOM 872 CG MET A 55 2.757 -5.604 5.085 1.00 0.00 C ATOM 873 SD MET A 55 2.117 -5.672 6.765 1.00 0.00 S ATOM 874 CE MET A 55 3.220 -6.913 7.447 1.00 0.00 C ATOM 0 H MET A 55 4.256 -6.254 3.006 1.00 0.00 H new ATOM 0 HA MET A 55 3.649 -3.403 3.420 1.00 0.00 H new ATOM 0 HB2 MET A 55 4.916 -5.535 5.225 1.00 0.00 H new ATOM 0 HB3 MET A 55 4.124 -4.057 5.737 1.00 0.00 H new ATOM 0 HG2 MET A 55 2.025 -5.116 4.441 1.00 0.00 H new ATOM 0 HG3 MET A 55 2.886 -6.619 4.708 1.00 0.00 H new ATOM 0 HE1 MET A 55 2.969 -7.087 8.493 1.00 0.00 H new ATOM 0 HE2 MET A 55 3.112 -7.843 6.888 1.00 0.00 H new ATOM 0 HE3 MET A 55 4.250 -6.564 7.374 1.00 0.00 H new ATOM 884 N LYS A 56 6.490 -3.606 4.359 1.00 0.00 N ATOM 885 CA LYS A 56 7.770 -2.903 4.391 1.00 0.00 C ATOM 886 C LYS A 56 8.956 -3.502 3.596 1.00 0.00 C ATOM 887 O LYS A 56 9.786 -2.700 3.178 1.00 0.00 O ATOM 888 CB LYS A 56 8.191 -2.820 5.871 1.00 0.00 C ATOM 889 CG LYS A 56 7.141 -2.175 6.787 1.00 0.00 C ATOM 890 CD LYS A 56 7.521 -2.246 8.269 1.00 0.00 C ATOM 891 CE LYS A 56 6.388 -1.730 9.162 1.00 0.00 C ATOM 892 NZ LYS A 56 6.700 -1.848 10.582 1.00 0.00 N ATOM 0 H LYS A 56 6.322 -4.188 5.179 1.00 0.00 H new ATOM 0 HA LYS A 56 7.580 -1.952 3.894 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.405 -3.825 6.233 1.00 0.00 H new ATOM 0 HB3 LYS A 56 9.118 -2.251 5.942 1.00 0.00 H new ATOM 0 HG2 LYS A 56 7.008 -1.132 6.501 1.00 0.00 H new ATOM 0 HG3 LYS A 56 6.182 -2.671 6.638 1.00 0.00 H new ATOM 0 HD2 LYS A 56 7.757 -3.276 8.537 1.00 0.00 H new ATOM 0 HD3 LYS A 56 8.421 -1.657 8.444 1.00 0.00 H new ATOM 0 HE2 LYS A 56 6.188 -0.686 8.923 1.00 0.00 H new ATOM 0 HE3 LYS A 56 5.476 -2.287 8.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 5.903 -1.486 11.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 6.865 -2.847 10.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 7.554 -1.295 10.797 1.00 0.00 H new ATOM 906 N PRO A 57 9.037 -4.861 3.370 1.00 0.00 N ATOM 907 CA PRO A 57 10.174 -5.490 2.681 1.00 0.00 C ATOM 908 C PRO A 57 10.925 -4.663 1.619 1.00 0.00 C ATOM 909 O PRO A 57 10.433 -4.351 0.545 1.00 0.00 O ATOM 910 CB PRO A 57 9.600 -6.802 2.137 1.00 0.00 C ATOM 911 CG PRO A 57 8.573 -7.194 3.198 1.00 0.00 C ATOM 912 CD PRO A 57 8.005 -5.858 3.683 1.00 0.00 C ATOM 0 HA PRO A 57 10.990 -5.623 3.392 1.00 0.00 H new ATOM 0 HB2 PRO A 57 9.138 -6.666 1.159 1.00 0.00 H new ATOM 0 HB3 PRO A 57 10.372 -7.563 2.022 1.00 0.00 H new ATOM 0 HG2 PRO A 57 7.793 -7.831 2.781 1.00 0.00 H new ATOM 0 HG3 PRO A 57 9.035 -7.750 4.014 1.00 0.00 H new ATOM 0 HD2 PRO A 57 7.067 -5.624 3.180 1.00 0.00 H new ATOM 0 HD3 PRO A 57 7.796 -5.885 4.752 1.00 0.00 H new TER 920 PRO A 57 HETATM 921 C ACE B 0 -7.864 -14.401 -9.879 1.00 0.00 C HETATM 922 O ACE B 0 -8.532 -13.777 -10.692 1.00 0.00 O HETATM 923 CH3 ACE B 0 -6.449 -14.881 -10.189 1.00 0.00 C HETATM 0 H1 ACE B 0 -5.751 -14.439 -9.478 1.00 0.00 H new HETATM 0 H2 ACE B 0 -6.408 -15.967 -10.111 1.00 0.00 H new HETATM 0 H3 ACE B 0 -6.176 -14.580 -11.200 1.00 0.00 H new ATOM 927 N VAL B 1 -8.234 -14.693 -8.617 1.00 0.00 N ATOM 928 CA VAL B 1 -9.445 -14.156 -8.000 1.00 0.00 C ATOM 929 C VAL B 1 -9.015 -13.435 -6.706 1.00 0.00 C ATOM 930 O VAL B 1 -9.042 -14.018 -5.629 1.00 0.00 O ATOM 931 CB VAL B 1 -10.425 -15.307 -7.692 1.00 0.00 C ATOM 932 CG1 VAL B 1 -11.721 -14.808 -7.030 1.00 0.00 C ATOM 933 CG2 VAL B 1 -10.755 -16.100 -8.965 1.00 0.00 C ATOM 0 H VAL B 1 -7.698 -15.307 -8.004 1.00 0.00 H new ATOM 0 HA VAL B 1 -9.955 -13.459 -8.665 1.00 0.00 H new ATOM 0 HB VAL B 1 -9.924 -15.965 -6.982 1.00 0.00 H new ATOM 0 HG11 VAL B 1 -12.378 -15.655 -6.833 1.00 0.00 H new ATOM 0 HG12 VAL B 1 -11.481 -14.309 -6.091 1.00 0.00 H new ATOM 0 HG13 VAL B 1 -12.223 -14.106 -7.696 1.00 0.00 H new ATOM 0 HG21 VAL B 1 -11.448 -16.906 -8.722 1.00 0.00 H new ATOM 0 HG22 VAL B 1 -11.213 -15.436 -9.698 1.00 0.00 H new ATOM 0 HG23 VAL B 1 -9.839 -16.521 -9.379 1.00 0.00 H new ATOM 943 N PRO B 2 -8.600 -12.139 -6.843 1.00 0.00 N ATOM 944 CA PRO B 2 -8.155 -11.344 -5.700 1.00 0.00 C ATOM 945 C PRO B 2 -9.060 -11.439 -4.419 1.00 0.00 C ATOM 946 O PRO B 2 -10.279 -11.371 -4.513 1.00 0.00 O ATOM 947 CB PRO B 2 -7.940 -9.948 -6.309 1.00 0.00 C ATOM 948 CG PRO B 2 -7.586 -10.212 -7.763 1.00 0.00 C ATOM 949 CD PRO B 2 -8.441 -11.424 -8.116 1.00 0.00 C ATOM 0 HA PRO B 2 -7.236 -11.720 -5.250 1.00 0.00 H new ATOM 0 HB2 PRO B 2 -8.838 -9.337 -6.225 1.00 0.00 H new ATOM 0 HB3 PRO B 2 -7.140 -9.412 -5.798 1.00 0.00 H new ATOM 0 HG2 PRO B 2 -7.820 -9.356 -8.396 1.00 0.00 H new ATOM 0 HG3 PRO B 2 -6.523 -10.419 -7.887 1.00 0.00 H new ATOM 0 HD2 PRO B 2 -9.405 -11.125 -8.527 1.00 0.00 H new ATOM 0 HD3 PRO B 2 -7.955 -12.049 -8.865 1.00 0.00 H new ATOM 957 N PRO B 3 -8.396 -11.613 -3.226 1.00 0.00 N ATOM 958 CA PRO B 3 -9.026 -11.780 -1.903 1.00 0.00 C ATOM 959 C PRO B 3 -10.272 -10.964 -1.511 1.00 0.00 C ATOM 960 O PRO B 3 -10.581 -9.931 -2.076 1.00 0.00 O ATOM 961 CB PRO B 3 -7.910 -11.326 -0.946 1.00 0.00 C ATOM 962 CG PRO B 3 -6.631 -11.765 -1.626 1.00 0.00 C ATOM 963 CD PRO B 3 -6.931 -11.628 -3.118 1.00 0.00 C ATOM 0 HA PRO B 3 -9.401 -12.803 -1.881 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -7.930 -10.247 -0.796 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -8.017 -11.787 0.036 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -5.788 -11.140 -1.331 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -6.373 -12.791 -1.365 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -6.499 -10.713 -3.522 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -6.505 -12.458 -3.681 1.00 0.00 H new ATOM 971 N PRO B 4 -10.994 -11.454 -0.470 1.00 0.00 N ATOM 972 CA PRO B 4 -12.136 -10.708 0.056 1.00 0.00 C ATOM 973 C PRO B 4 -11.559 -9.544 0.871 1.00 0.00 C ATOM 974 O PRO B 4 -10.906 -9.710 1.895 1.00 0.00 O ATOM 975 CB PRO B 4 -12.857 -11.720 0.955 1.00 0.00 C ATOM 976 CG PRO B 4 -11.778 -12.737 1.349 1.00 0.00 C ATOM 977 CD PRO B 4 -10.788 -12.744 0.183 1.00 0.00 C ATOM 0 HA PRO B 4 -12.815 -10.302 -0.693 1.00 0.00 H new ATOM 0 HB2 PRO B 4 -13.282 -11.235 1.834 1.00 0.00 H new ATOM 0 HB3 PRO B 4 -13.680 -12.202 0.427 1.00 0.00 H new ATOM 0 HG2 PRO B 4 -11.288 -12.451 2.280 1.00 0.00 H new ATOM 0 HG3 PRO B 4 -12.208 -13.726 1.506 1.00 0.00 H new ATOM 0 HD2 PRO B 4 -9.762 -12.854 0.533 1.00 0.00 H new ATOM 0 HD3 PRO B 4 -10.982 -13.571 -0.499 1.00 0.00 H new ATOM 985 N VAL B 5 -11.839 -8.361 0.304 1.00 0.00 N ATOM 986 CA VAL B 5 -11.369 -7.112 0.868 1.00 0.00 C ATOM 987 C VAL B 5 -11.990 -6.896 2.277 1.00 0.00 C ATOM 988 O VAL B 5 -13.174 -7.148 2.466 1.00 0.00 O ATOM 989 CB VAL B 5 -11.669 -5.964 -0.079 1.00 0.00 C ATOM 990 CG1 VAL B 5 -10.740 -4.775 0.206 1.00 0.00 C ATOM 991 CG2 VAL B 5 -11.615 -6.264 -1.582 1.00 0.00 C ATOM 0 H VAL B 5 -12.391 -8.256 -0.547 1.00 0.00 H new ATOM 0 HA VAL B 5 -10.287 -7.151 0.994 1.00 0.00 H new ATOM 0 HB VAL B 5 -12.715 -5.742 0.134 1.00 0.00 H new ATOM 0 HG11 VAL B 5 -10.969 -3.961 -0.482 1.00 0.00 H new ATOM 0 HG12 VAL B 5 -10.887 -4.436 1.231 1.00 0.00 H new ATOM 0 HG13 VAL B 5 -9.703 -5.083 0.071 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -11.849 -5.359 -2.142 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -10.616 -6.608 -1.849 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -12.342 -7.039 -1.825 1.00 0.00 H new ATOM 1001 N PRO B 6 -11.166 -6.434 3.259 1.00 0.00 N ATOM 1002 CA PRO B 6 -11.664 -6.210 4.618 1.00 0.00 C ATOM 1003 C PRO B 6 -12.782 -5.153 4.747 1.00 0.00 C ATOM 1004 O PRO B 6 -12.975 -4.322 3.873 1.00 0.00 O ATOM 1005 CB PRO B 6 -10.437 -5.669 5.365 1.00 0.00 C ATOM 1006 CG PRO B 6 -9.211 -6.043 4.542 1.00 0.00 C ATOM 1007 CD PRO B 6 -9.733 -6.147 3.112 1.00 0.00 C ATOM 0 HA PRO B 6 -12.099 -7.136 4.993 1.00 0.00 H new ATOM 0 HB2 PRO B 6 -10.505 -4.588 5.485 1.00 0.00 H new ATOM 0 HB3 PRO B 6 -10.375 -6.098 6.365 1.00 0.00 H new ATOM 0 HG2 PRO B 6 -8.430 -5.287 4.626 1.00 0.00 H new ATOM 0 HG3 PRO B 6 -8.780 -6.986 4.877 1.00 0.00 H new ATOM 0 HD2 PRO B 6 -9.569 -5.220 2.562 1.00 0.00 H new ATOM 0 HD3 PRO B 6 -9.225 -6.939 2.561 1.00 0.00 H new ATOM 1015 N PRO B 7 -13.527 -5.214 5.881 1.00 0.00 N ATOM 1016 CA PRO B 7 -14.555 -4.214 6.159 1.00 0.00 C ATOM 1017 C PRO B 7 -13.890 -2.990 6.835 1.00 0.00 C ATOM 1018 O PRO B 7 -13.411 -3.070 7.960 1.00 0.00 O ATOM 1019 CB PRO B 7 -15.473 -4.921 7.163 1.00 0.00 C ATOM 1020 CG PRO B 7 -14.569 -5.935 7.879 1.00 0.00 C ATOM 1021 CD PRO B 7 -13.520 -6.326 6.832 1.00 0.00 C ATOM 0 HA PRO B 7 -15.082 -3.864 5.271 1.00 0.00 H new ATOM 0 HB2 PRO B 7 -15.908 -4.212 7.868 1.00 0.00 H new ATOM 0 HB3 PRO B 7 -16.302 -5.418 6.659 1.00 0.00 H new ATOM 0 HG2 PRO B 7 -14.104 -5.497 8.762 1.00 0.00 H new ATOM 0 HG3 PRO B 7 -15.136 -6.803 8.215 1.00 0.00 H new ATOM 0 HD2 PRO B 7 -12.537 -6.457 7.284 1.00 0.00 H new ATOM 0 HD3 PRO B 7 -13.775 -7.267 6.345 1.00 0.00 H new ATOM 1029 N ARG B 8 -13.885 -1.860 6.085 1.00 0.00 N ATOM 1030 CA ARG B 8 -13.291 -0.627 6.614 1.00 0.00 C ATOM 1031 C ARG B 8 -14.214 -0.015 7.679 1.00 0.00 C ATOM 1032 O ARG B 8 -15.336 -0.458 7.887 1.00 0.00 O ATOM 1033 CB ARG B 8 -12.876 0.361 5.505 1.00 0.00 C ATOM 1034 CG ARG B 8 -13.910 0.662 4.412 1.00 0.00 C ATOM 1035 CD ARG B 8 -15.025 1.607 4.868 1.00 0.00 C ATOM 1036 NE ARG B 8 -15.852 1.952 3.719 1.00 0.00 N ATOM 1037 CZ ARG B 8 -16.866 2.835 3.786 1.00 0.00 C ATOM 1038 NH1 ARG B 8 -17.173 3.448 4.921 1.00 0.00 N ATOM 1039 NH2 ARG B 8 -17.566 3.099 2.691 1.00 0.00 N ATOM 0 H ARG B 8 -14.274 -1.785 5.145 1.00 0.00 H new ATOM 0 HA ARG B 8 -12.352 -0.880 7.107 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -12.600 1.303 5.978 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -11.979 -0.029 5.024 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -13.402 1.101 3.553 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -14.354 -0.275 4.075 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -15.631 1.131 5.639 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -14.598 2.508 5.309 1.00 0.00 H new ATOM 0 HE ARG B 8 -15.654 1.505 2.824 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -16.637 3.254 5.767 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -17.946 4.113 4.948 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -17.333 2.635 1.813 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -18.337 3.766 2.727 1.00 0.00 H new ATOM 1053 N ARG B 9 -13.657 1.014 8.356 1.00 0.00 N ATOM 1054 CA ARG B 9 -14.343 1.702 9.436 1.00 0.00 C ATOM 1055 C ARG B 9 -14.558 0.745 10.623 1.00 0.00 C ATOM 1056 O ARG B 9 -15.581 0.736 11.298 1.00 0.00 O ATOM 1057 CB ARG B 9 -15.621 2.368 8.916 1.00 0.00 C ATOM 1058 CG ARG B 9 -15.902 3.628 9.717 1.00 0.00 C ATOM 1059 CD ARG B 9 -17.201 4.318 9.301 1.00 0.00 C ATOM 1060 NE ARG B 9 -17.485 5.414 10.218 1.00 0.00 N ATOM 1061 CZ ARG B 9 -18.688 6.019 10.264 1.00 0.00 C ATOM 1062 NH1 ARG B 9 -19.658 5.671 9.428 1.00 0.00 N ATOM 1063 NH2 ARG B 9 -18.898 6.975 11.158 1.00 0.00 N ATOM 0 H ARG B 9 -12.725 1.378 8.159 1.00 0.00 H new ATOM 0 HA ARG B 9 -13.726 2.514 9.820 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -15.511 2.614 7.860 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -16.461 1.678 8.997 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -15.953 3.376 10.776 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -15.072 4.323 9.595 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -17.114 4.696 8.282 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -18.023 3.603 9.307 1.00 0.00 H new ATOM 0 HE ARG B 9 -16.748 5.734 10.846 1.00 0.00 H new ATOM 0 HH11 ARG B 9 -19.498 4.936 8.739 1.00 0.00 H new ATOM 0 HH12 ARG B 9 -20.564 6.138 9.475 1.00 0.00 H new ATOM 0 HH21 ARG B 9 -18.153 7.245 11.801 1.00 0.00 H new ATOM 0 HH22 ARG B 9 -19.804 7.441 11.203 1.00 0.00 H new ATOM 1077 N ARG B 10 -13.495 -0.070 10.780 1.00 0.00 N ATOM 1078 CA ARG B 10 -13.318 -1.104 11.766 1.00 0.00 C ATOM 1079 C ARG B 10 -14.558 -2.017 11.901 1.00 0.00 C ATOM 1080 O ARG B 10 -15.026 -2.325 12.990 1.00 0.00 O ATOM 1081 CB ARG B 10 -12.828 -0.448 13.059 1.00 0.00 C ATOM 1082 CG ARG B 10 -12.024 -1.443 13.880 1.00 0.00 C ATOM 1083 CD ARG B 10 -10.603 -1.696 13.346 1.00 0.00 C ATOM 1084 NE ARG B 10 -9.892 -2.635 14.206 1.00 0.00 N ATOM 1085 CZ ARG B 10 -10.181 -3.953 14.270 1.00 0.00 C ATOM 1086 NH1 ARG B 10 -11.114 -4.495 13.498 1.00 0.00 N ATOM 1087 NH2 ARG B 10 -9.522 -4.714 15.135 1.00 0.00 N ATOM 0 H ARG B 10 -12.687 0.000 10.162 1.00 0.00 H new ATOM 0 HA ARG B 10 -12.550 -1.810 11.452 1.00 0.00 H new ATOM 0 HB2 ARG B 10 -12.214 0.421 12.824 1.00 0.00 H new ATOM 0 HB3 ARG B 10 -13.679 -0.090 13.639 1.00 0.00 H new ATOM 0 HG2 ARG B 10 -11.956 -1.080 14.906 1.00 0.00 H new ATOM 0 HG3 ARG B 10 -12.562 -2.390 13.912 1.00 0.00 H new ATOM 0 HD2 ARG B 10 -10.655 -2.091 12.331 1.00 0.00 H new ATOM 0 HD3 ARG B 10 -10.055 -0.755 13.294 1.00 0.00 H new ATOM 0 HE ARG B 10 -9.136 -2.277 14.790 1.00 0.00 H new ATOM 0 HH11 ARG B 10 -11.631 -3.914 12.838 1.00 0.00 H new ATOM 0 HH12 ARG B 10 -11.314 -5.493 13.564 1.00 0.00 H new ATOM 0 HH21 ARG B 10 -8.810 -4.302 15.738 1.00 0.00 H new ATOM 0 HH22 ARG B 10 -9.727 -5.711 15.197 1.00 0.00 H new HETATM 1101 N NH2 B 11 -15.035 -2.442 10.720 1.00 0.00 N TER 1104 NH2 B 11