USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 623 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 55 SER OG : rot -94:sc= 1.04 USER MOD Set 1.2: A 58 LYS NZ :NH3+ -168:sc= 1.5 (180deg=0.301) USER MOD Set 2.1: A 37 ASN : amide:sc= 0.932 K(o=2.6,f=1.4) USER MOD Set 2.2: A 42 THR OG1 : rot -76:sc= 1.63 USER MOD Set 3.1: A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 17 CYS SG : rot 180:sc= -0.0167 USER MOD Single : A 1 VAL N :NH3+ 180:sc= -0.0255 (180deg=-0.0255) USER MOD Single : A 2 THR OG1 : rot 155:sc= 0.812 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot -77:sc= 1.07 USER MOD Single : A 14 CYS SG : rot -49:sc= -0.0883 USER MOD Single : A 19 ASN : amide:sc= 1.01 K(o=1,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.25 K(o=-0.25,f=-1) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.173 X(o=-0.17,f=-0.22) USER MOD Single : A 44 THR OG1 : rot -97:sc= 1.21 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.457 K(o=-0.46,f=-3.7) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot -35:sc= 1.67 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 133:sc= 0.321 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.0819) USER MOD Single : A 71 LYS NZ :NH3+ 164:sc= 1.12 (180deg=0.345) USER MOD Single : A 74 GLN : amide:sc= 0.753 K(o=0.75,f=-0.74) USER MOD Single : A 76 SER OG : rot 47:sc= 0.59 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -9.032 13.725 9.054 1.00 10.00 N ATOM 2 CA VAL A 1 -8.984 12.347 9.562 1.00 10.00 C ATOM 3 C VAL A 1 -7.924 11.593 8.756 1.00 10.00 C ATOM 4 O VAL A 1 -6.750 11.887 8.954 1.00 10.00 O ATOM 5 CB VAL A 1 -10.396 11.728 9.668 1.00 10.00 C ATOM 6 CG1 VAL A 1 -11.284 11.915 8.427 1.00 10.00 C ATOM 7 CG2 VAL A 1 -10.373 10.265 10.125 1.00 10.00 C ATOM 0 H1 VAL A 1 -9.746 14.265 9.583 1.00 10.00 H new ATOM 0 H2 VAL A 1 -8.100 14.172 9.174 1.00 10.00 H new ATOM 0 H3 VAL A 1 -9.284 13.714 8.045 1.00 10.00 H new ATOM 0 HA VAL A 1 -8.656 12.290 10.600 1.00 10.00 H new ATOM 0 HB VAL A 1 -10.873 12.315 10.453 1.00 10.00 H new ATOM 0 HG11 VAL A 1 -12.253 11.446 8.599 1.00 10.00 H new ATOM 0 HG12 VAL A 1 -11.424 12.979 8.237 1.00 10.00 H new ATOM 0 HG13 VAL A 1 -10.805 11.452 7.564 1.00 10.00 H new ATOM 0 HG21 VAL A 1 -11.393 9.885 10.181 1.00 10.00 H new ATOM 0 HG22 VAL A 1 -9.803 9.670 9.412 1.00 10.00 H new ATOM 0 HG23 VAL A 1 -9.907 10.198 11.108 1.00 10.00 H new ATOM 19 N THR A 2 -8.298 10.706 7.836 1.00 10.00 N ATOM 20 CA THR A 2 -7.391 9.973 6.971 1.00 10.00 C ATOM 21 C THR A 2 -7.602 10.427 5.520 1.00 10.00 C ATOM 22 O THR A 2 -8.561 11.139 5.223 1.00 10.00 O ATOM 23 CB THR A 2 -7.666 8.476 7.181 1.00 10.00 C ATOM 24 OG1 THR A 2 -9.064 8.232 7.116 1.00 10.00 O ATOM 25 CG2 THR A 2 -7.150 8.061 8.564 1.00 10.00 C ATOM 0 H THR A 2 -9.277 10.473 7.671 1.00 10.00 H new ATOM 0 HA THR A 2 -6.345 10.166 7.208 1.00 10.00 H new ATOM 0 HB THR A 2 -7.160 7.902 6.405 1.00 10.00 H new ATOM 0 HG1 THR A 2 -9.222 7.301 6.854 1.00 10.00 H new ATOM 0 HG21 THR A 2 -7.342 6.999 8.720 1.00 10.00 H new ATOM 0 HG22 THR A 2 -6.078 8.249 8.624 1.00 10.00 H new ATOM 0 HG23 THR A 2 -7.663 8.639 9.332 1.00 10.00 H new ATOM 33 N GLU A 3 -6.676 10.035 4.646 1.00 10.00 N ATOM 34 CA GLU A 3 -6.576 10.394 3.244 1.00 10.00 C ATOM 35 C GLU A 3 -6.475 9.116 2.431 1.00 10.00 C ATOM 36 O GLU A 3 -5.705 8.222 2.787 1.00 10.00 O ATOM 37 CB GLU A 3 -5.294 11.206 3.035 1.00 10.00 C ATOM 38 CG GLU A 3 -5.565 12.674 3.343 1.00 10.00 C ATOM 39 CD GLU A 3 -4.296 13.417 3.732 1.00 10.00 C ATOM 40 OE1 GLU A 3 -3.264 13.171 3.071 1.00 10.00 O ATOM 41 OE2 GLU A 3 -4.372 14.190 4.712 1.00 10.00 O ATOM 0 H GLU A 3 -5.921 9.410 4.928 1.00 10.00 H new ATOM 0 HA GLU A 3 -7.445 10.976 2.937 1.00 10.00 H new ATOM 0 HB2 GLU A 3 -4.502 10.828 3.682 1.00 10.00 H new ATOM 0 HB3 GLU A 3 -4.946 11.097 2.008 1.00 10.00 H new ATOM 0 HG2 GLU A 3 -6.012 13.151 2.471 1.00 10.00 H new ATOM 0 HG3 GLU A 3 -6.291 12.747 4.153 1.00 10.00 H new ATOM 48 N LYS A 4 -7.228 9.060 1.329 1.00 10.00 N ATOM 49 CA LYS A 4 -7.126 8.001 0.347 1.00 10.00 C ATOM 50 C LYS A 4 -5.989 8.322 -0.615 1.00 10.00 C ATOM 51 O LYS A 4 -6.078 9.278 -1.379 1.00 10.00 O ATOM 52 CB LYS A 4 -8.443 7.852 -0.423 1.00 10.00 C ATOM 53 CG LYS A 4 -9.510 7.066 0.349 1.00 10.00 C ATOM 54 CD LYS A 4 -9.111 5.591 0.527 1.00 10.00 C ATOM 55 CE LYS A 4 -10.296 4.771 1.048 1.00 10.00 C ATOM 56 NZ LYS A 4 -10.007 3.326 1.023 1.00 10.00 N ATOM 0 H LYS A 4 -7.931 9.762 1.100 1.00 10.00 H new ATOM 0 HA LYS A 4 -6.921 7.059 0.855 1.00 10.00 H new ATOM 0 HB2 LYS A 4 -8.832 8.842 -0.660 1.00 10.00 H new ATOM 0 HB3 LYS A 4 -8.247 7.351 -1.371 1.00 10.00 H new ATOM 0 HG2 LYS A 4 -9.662 7.523 1.327 1.00 10.00 H new ATOM 0 HG3 LYS A 4 -10.460 7.125 -0.181 1.00 10.00 H new ATOM 0 HD2 LYS A 4 -8.770 5.183 -0.425 1.00 10.00 H new ATOM 0 HD3 LYS A 4 -8.276 5.516 1.223 1.00 10.00 H new ATOM 0 HE2 LYS A 4 -10.532 5.078 2.067 1.00 10.00 H new ATOM 0 HE3 LYS A 4 -11.177 4.977 0.441 1.00 10.00 H new ATOM 0 HZ1 LYS A 4 -10.830 2.801 1.382 1.00 10.00 H new ATOM 0 HZ2 LYS A 4 -9.806 3.029 0.047 1.00 10.00 H new ATOM 0 HZ3 LYS A 4 -9.181 3.127 1.623 1.00 10.00 H new ATOM 70 N ALA A 5 -4.947 7.496 -0.590 1.00 10.00 N ATOM 71 CA ALA A 5 -3.864 7.496 -1.561 1.00 10.00 C ATOM 72 C ALA A 5 -3.877 6.181 -2.342 1.00 10.00 C ATOM 73 O ALA A 5 -4.191 5.134 -1.770 1.00 10.00 O ATOM 74 CB ALA A 5 -2.535 7.677 -0.832 1.00 10.00 C ATOM 0 H ALA A 5 -4.832 6.785 0.132 1.00 10.00 H new ATOM 0 HA ALA A 5 -3.994 8.318 -2.265 1.00 10.00 H new ATOM 0 HB1 ALA A 5 -1.720 7.678 -1.556 1.00 10.00 H new ATOM 0 HB2 ALA A 5 -2.542 8.624 -0.293 1.00 10.00 H new ATOM 0 HB3 ALA A 5 -2.393 6.859 -0.126 1.00 10.00 H new ATOM 80 N GLU A 6 -3.520 6.230 -3.632 1.00 10.00 N ATOM 81 CA GLU A 6 -3.351 5.060 -4.473 1.00 10.00 C ATOM 82 C GLU A 6 -1.929 4.977 -4.994 1.00 10.00 C ATOM 83 O GLU A 6 -1.272 6.003 -5.180 1.00 10.00 O ATOM 84 CB GLU A 6 -4.327 5.082 -5.648 1.00 10.00 C ATOM 85 CG GLU A 6 -5.688 4.566 -5.192 1.00 10.00 C ATOM 86 CD GLU A 6 -6.531 4.018 -6.331 1.00 10.00 C ATOM 87 OE1 GLU A 6 -6.342 4.481 -7.473 1.00 10.00 O ATOM 88 OE2 GLU A 6 -7.340 3.117 -6.015 1.00 10.00 O ATOM 0 H GLU A 6 -3.339 7.107 -4.121 1.00 10.00 H new ATOM 0 HA GLU A 6 -3.560 4.182 -3.862 1.00 10.00 H new ATOM 0 HB2 GLU A 6 -4.423 6.096 -6.036 1.00 10.00 H new ATOM 0 HB3 GLU A 6 -3.947 4.464 -6.462 1.00 10.00 H new ATOM 0 HG2 GLU A 6 -5.542 3.784 -4.447 1.00 10.00 H new ATOM 0 HG3 GLU A 6 -6.231 5.375 -4.703 1.00 10.00 H new ATOM 95 N PHE A 7 -1.487 3.741 -5.232 1.00 10.00 N ATOM 96 CA PHE A 7 -0.119 3.400 -5.570 1.00 10.00 C ATOM 97 C PHE A 7 -0.118 2.314 -6.647 1.00 10.00 C ATOM 98 O PHE A 7 -0.893 1.360 -6.550 1.00 10.00 O ATOM 99 CB PHE A 7 0.637 2.926 -4.314 1.00 10.00 C ATOM 100 CG PHE A 7 0.446 3.747 -3.055 1.00 10.00 C ATOM 101 CD1 PHE A 7 -0.741 3.622 -2.314 1.00 10.00 C ATOM 102 CD2 PHE A 7 1.486 4.556 -2.565 1.00 10.00 C ATOM 103 CE1 PHE A 7 -0.962 4.442 -1.199 1.00 10.00 C ATOM 104 CE2 PHE A 7 1.273 5.362 -1.436 1.00 10.00 C ATOM 105 CZ PHE A 7 0.035 5.333 -0.772 1.00 10.00 C ATOM 0 H PHE A 7 -2.100 2.927 -5.191 1.00 10.00 H new ATOM 0 HA PHE A 7 0.391 4.282 -5.958 1.00 10.00 H new ATOM 0 HB2 PHE A 7 0.334 1.901 -4.101 1.00 10.00 H new ATOM 0 HB3 PHE A 7 1.702 2.902 -4.546 1.00 10.00 H new ATOM 0 HD1 PHE A 7 -1.484 2.893 -2.604 1.00 10.00 H new ATOM 0 HD2 PHE A 7 2.448 4.557 -3.057 1.00 10.00 H new ATOM 0 HE1 PHE A 7 -1.901 4.388 -0.668 1.00 10.00 H new ATOM 0 HE2 PHE A 7 2.062 6.006 -1.077 1.00 10.00 H new ATOM 0 HZ PHE A 7 -0.149 5.993 0.063 1.00 10.00 H new ATOM 115 N ASP A 8 0.749 2.459 -7.654 1.00 10.00 N ATOM 116 CA ASP A 8 0.854 1.564 -8.795 1.00 10.00 C ATOM 117 C ASP A 8 2.002 0.587 -8.495 1.00 10.00 C ATOM 118 O ASP A 8 3.033 1.006 -7.960 1.00 10.00 O ATOM 119 CB ASP A 8 1.133 2.415 -10.046 1.00 10.00 C ATOM 120 CG ASP A 8 -0.095 2.865 -10.842 1.00 10.00 C ATOM 121 OD1 ASP A 8 -1.243 2.791 -10.352 1.00 10.00 O ATOM 122 OD2 ASP A 8 0.093 3.388 -11.963 1.00 10.00 O ATOM 0 H ASP A 8 1.416 3.230 -7.692 1.00 10.00 H new ATOM 0 HA ASP A 8 -0.059 0.996 -8.973 1.00 10.00 H new ATOM 0 HB2 ASP A 8 1.688 3.302 -9.741 1.00 10.00 H new ATOM 0 HB3 ASP A 8 1.783 1.845 -10.710 1.00 10.00 H new ATOM 127 N ILE A 9 1.798 -0.715 -8.748 1.00 10.00 N ATOM 128 CA ILE A 9 2.649 -1.794 -8.250 1.00 10.00 C ATOM 129 C ILE A 9 3.479 -2.408 -9.377 1.00 10.00 C ATOM 130 O ILE A 9 2.959 -2.607 -10.472 1.00 10.00 O ATOM 131 CB ILE A 9 1.770 -2.892 -7.610 1.00 10.00 C ATOM 132 CG1 ILE A 9 0.524 -2.362 -6.888 1.00 10.00 C ATOM 133 CG2 ILE A 9 2.591 -3.707 -6.611 1.00 10.00 C ATOM 134 CD1 ILE A 9 0.870 -1.345 -5.815 1.00 10.00 C ATOM 0 H ILE A 9 1.020 -1.048 -9.317 1.00 10.00 H new ATOM 0 HA ILE A 9 3.329 -1.376 -7.508 1.00 10.00 H new ATOM 0 HB ILE A 9 1.425 -3.505 -8.443 1.00 10.00 H new ATOM 0 HG12 ILE A 9 -0.148 -1.906 -7.615 1.00 10.00 H new ATOM 0 HG13 ILE A 9 -0.014 -3.196 -6.436 1.00 10.00 H new ATOM 0 HG21 ILE A 9 1.962 -4.478 -6.166 1.00 10.00 H new ATOM 0 HG22 ILE A 9 3.430 -4.176 -7.126 1.00 10.00 H new ATOM 0 HG23 ILE A 9 2.968 -3.049 -5.828 1.00 10.00 H new ATOM 0 HD11 ILE A 9 -0.044 -1.000 -5.333 1.00 10.00 H new ATOM 0 HD12 ILE A 9 1.520 -1.807 -5.072 1.00 10.00 H new ATOM 0 HD13 ILE A 9 1.383 -0.497 -6.269 1.00 10.00 H new ATOM 146 N GLU A 10 4.734 -2.768 -9.088 1.00 10.00 N ATOM 147 CA GLU A 10 5.595 -3.523 -9.991 1.00 10.00 C ATOM 148 C GLU A 10 6.120 -4.768 -9.270 1.00 10.00 C ATOM 149 O GLU A 10 7.225 -4.743 -8.727 1.00 10.00 O ATOM 150 CB GLU A 10 6.744 -2.616 -10.462 1.00 10.00 C ATOM 151 CG GLU A 10 6.358 -1.820 -11.719 1.00 10.00 C ATOM 152 CD GLU A 10 6.456 -2.650 -12.999 1.00 10.00 C ATOM 153 OE1 GLU A 10 6.575 -3.890 -12.879 1.00 10.00 O ATOM 154 OE2 GLU A 10 6.444 -2.019 -14.076 1.00 10.00 O ATOM 0 H GLU A 10 5.184 -2.536 -8.202 1.00 10.00 H new ATOM 0 HA GLU A 10 5.036 -3.852 -10.867 1.00 10.00 H new ATOM 0 HB2 GLU A 10 7.015 -1.926 -9.663 1.00 10.00 H new ATOM 0 HB3 GLU A 10 7.625 -3.223 -10.671 1.00 10.00 H new ATOM 0 HG2 GLU A 10 5.339 -1.448 -11.610 1.00 10.00 H new ATOM 0 HG3 GLU A 10 7.007 -0.949 -11.806 1.00 10.00 H new ATOM 161 N GLY A 11 5.333 -5.853 -9.256 1.00 10.00 N ATOM 162 CA GLY A 11 5.781 -7.155 -8.770 1.00 10.00 C ATOM 163 C GLY A 11 4.620 -8.081 -8.403 1.00 10.00 C ATOM 164 O GLY A 11 4.092 -8.775 -9.270 1.00 10.00 O ATOM 0 H GLY A 11 4.367 -5.847 -9.583 1.00 10.00 H new ATOM 0 HA2 GLY A 11 6.393 -7.633 -9.535 1.00 10.00 H new ATOM 0 HA3 GLY A 11 6.417 -7.013 -7.896 1.00 10.00 H new ATOM 168 N MET A 12 4.251 -8.130 -7.115 1.00 10.00 N ATOM 169 CA MET A 12 3.281 -9.068 -6.552 1.00 10.00 C ATOM 170 C MET A 12 1.851 -8.837 -7.066 1.00 10.00 C ATOM 171 O MET A 12 0.966 -8.373 -6.352 1.00 10.00 O ATOM 172 CB MET A 12 3.366 -9.021 -5.016 1.00 10.00 C ATOM 173 CG MET A 12 4.267 -10.129 -4.446 1.00 10.00 C ATOM 174 SD MET A 12 3.902 -10.573 -2.722 1.00 10.00 S ATOM 175 CE MET A 12 5.137 -11.859 -2.447 1.00 10.00 C ATOM 0 H MET A 12 4.635 -7.494 -6.416 1.00 10.00 H new ATOM 0 HA MET A 12 3.539 -10.071 -6.892 1.00 10.00 H new ATOM 0 HB2 MET A 12 3.749 -8.049 -4.705 1.00 10.00 H new ATOM 0 HB3 MET A 12 2.365 -9.118 -4.596 1.00 10.00 H new ATOM 0 HG2 MET A 12 4.167 -11.019 -5.068 1.00 10.00 H new ATOM 0 HG3 MET A 12 5.306 -9.808 -4.514 1.00 10.00 H new ATOM 0 HE1 MET A 12 5.047 -12.239 -1.429 1.00 10.00 H new ATOM 0 HE2 MET A 12 4.978 -12.674 -3.154 1.00 10.00 H new ATOM 0 HE3 MET A 12 6.134 -11.443 -2.592 1.00 10.00 H new ATOM 185 N THR A 13 1.618 -9.239 -8.308 1.00 10.00 N ATOM 186 CA THR A 13 0.398 -9.024 -9.066 1.00 10.00 C ATOM 187 C THR A 13 -0.397 -10.335 -9.142 1.00 10.00 C ATOM 188 O THR A 13 -0.878 -10.729 -10.200 1.00 10.00 O ATOM 189 CB THR A 13 0.846 -8.483 -10.435 1.00 10.00 C ATOM 190 OG1 THR A 13 1.939 -9.257 -10.906 1.00 10.00 O ATOM 191 CG2 THR A 13 1.314 -7.029 -10.282 1.00 10.00 C ATOM 0 H THR A 13 2.318 -9.754 -8.842 1.00 10.00 H new ATOM 0 HA THR A 13 -0.280 -8.305 -8.605 1.00 10.00 H new ATOM 0 HB THR A 13 0.012 -8.537 -11.135 1.00 10.00 H new ATOM 0 HG1 THR A 13 2.755 -8.994 -10.431 1.00 10.00 H new ATOM 0 HG21 THR A 13 1.632 -6.645 -11.251 1.00 10.00 H new ATOM 0 HG22 THR A 13 0.493 -6.421 -9.902 1.00 10.00 H new ATOM 0 HG23 THR A 13 2.150 -6.987 -9.584 1.00 10.00 H new ATOM 199 N CYS A 14 -0.531 -11.030 -8.002 1.00 10.00 N ATOM 200 CA CYS A 14 -1.131 -12.365 -7.939 1.00 10.00 C ATOM 201 C CYS A 14 -1.891 -12.566 -6.626 1.00 10.00 C ATOM 202 O CYS A 14 -1.583 -13.455 -5.833 1.00 10.00 O ATOM 203 CB CYS A 14 -0.054 -13.432 -8.175 1.00 10.00 C ATOM 204 SG CYS A 14 -0.821 -15.072 -8.245 1.00 10.00 S ATOM 0 H CYS A 14 -0.224 -10.677 -7.096 1.00 10.00 H new ATOM 0 HA CYS A 14 -1.870 -12.467 -8.734 1.00 10.00 H new ATOM 0 HB2 CYS A 14 0.476 -13.228 -9.106 1.00 10.00 H new ATOM 0 HB3 CYS A 14 0.685 -13.400 -7.374 1.00 10.00 H new ATOM 0 HG CYS A 14 -1.611 -15.225 -7.224 1.00 10.00 H new ATOM 210 N ALA A 15 -2.890 -11.710 -6.399 1.00 10.00 N ATOM 211 CA ALA A 15 -3.933 -11.810 -5.379 1.00 10.00 C ATOM 212 C ALA A 15 -3.462 -12.144 -3.953 1.00 10.00 C ATOM 213 O ALA A 15 -3.395 -11.264 -3.098 1.00 10.00 O ATOM 214 CB ALA A 15 -5.038 -12.758 -5.859 1.00 10.00 C ATOM 0 H ALA A 15 -2.998 -10.868 -6.965 1.00 10.00 H new ATOM 0 HA ALA A 15 -4.326 -10.799 -5.269 1.00 10.00 H new ATOM 0 HB1 ALA A 15 -5.813 -12.829 -5.096 1.00 10.00 H new ATOM 0 HB2 ALA A 15 -5.472 -12.373 -6.782 1.00 10.00 H new ATOM 0 HB3 ALA A 15 -4.616 -13.746 -6.041 1.00 10.00 H new ATOM 220 N ALA A 16 -3.143 -13.410 -3.675 1.00 10.00 N ATOM 221 CA ALA A 16 -2.618 -13.840 -2.382 1.00 10.00 C ATOM 222 C ALA A 16 -1.267 -13.169 -2.128 1.00 10.00 C ATOM 223 O ALA A 16 -0.865 -12.927 -0.989 1.00 10.00 O ATOM 224 CB ALA A 16 -2.477 -15.362 -2.368 1.00 10.00 C ATOM 0 H ALA A 16 -3.243 -14.170 -4.348 1.00 10.00 H new ATOM 0 HA ALA A 16 -3.306 -13.547 -1.589 1.00 10.00 H new ATOM 0 HB1 ALA A 16 -2.085 -15.682 -1.403 1.00 10.00 H new ATOM 0 HB2 ALA A 16 -3.453 -15.819 -2.533 1.00 10.00 H new ATOM 0 HB3 ALA A 16 -1.793 -15.671 -3.158 1.00 10.00 H new ATOM 230 N CYS A 17 -0.558 -12.861 -3.212 1.00 10.00 N ATOM 231 CA CYS A 17 0.618 -12.019 -3.186 1.00 10.00 C ATOM 232 C CYS A 17 0.246 -10.631 -2.652 1.00 10.00 C ATOM 233 O CYS A 17 0.739 -10.205 -1.610 1.00 10.00 O ATOM 234 CB CYS A 17 1.219 -11.981 -4.593 1.00 10.00 C ATOM 235 SG CYS A 17 2.201 -13.475 -4.871 1.00 10.00 S ATOM 0 H CYS A 17 -0.795 -13.199 -4.145 1.00 10.00 H new ATOM 0 HA CYS A 17 1.376 -12.417 -2.512 1.00 10.00 H new ATOM 0 HB2 CYS A 17 0.426 -11.911 -5.337 1.00 10.00 H new ATOM 0 HB3 CYS A 17 1.844 -11.096 -4.709 1.00 10.00 H new ATOM 0 HG CYS A 17 2.710 -13.444 -6.067 1.00 10.00 H new ATOM 241 N ALA A 18 -0.677 -9.945 -3.333 1.00 10.00 N ATOM 242 CA ALA A 18 -1.213 -8.647 -2.934 1.00 10.00 C ATOM 243 C ALA A 18 -1.693 -8.641 -1.476 1.00 10.00 C ATOM 244 O ALA A 18 -1.451 -7.680 -0.756 1.00 10.00 O ATOM 245 CB ALA A 18 -2.329 -8.210 -3.888 1.00 10.00 C ATOM 0 H ALA A 18 -1.082 -10.291 -4.203 1.00 10.00 H new ATOM 0 HA ALA A 18 -0.400 -7.924 -2.999 1.00 10.00 H new ATOM 0 HB1 ALA A 18 -2.716 -7.240 -3.575 1.00 10.00 H new ATOM 0 HB2 ALA A 18 -1.933 -8.133 -4.900 1.00 10.00 H new ATOM 0 HB3 ALA A 18 -3.133 -8.946 -3.868 1.00 10.00 H new ATOM 251 N ASN A 19 -2.318 -9.724 -1.005 1.00 10.00 N ATOM 252 CA ASN A 19 -2.758 -9.828 0.391 1.00 10.00 C ATOM 253 C ASN A 19 -1.608 -9.597 1.391 1.00 10.00 C ATOM 254 O ASN A 19 -1.848 -9.240 2.542 1.00 10.00 O ATOM 255 CB ASN A 19 -3.435 -11.182 0.665 1.00 10.00 C ATOM 256 CG ASN A 19 -4.912 -11.235 0.274 1.00 10.00 C ATOM 257 OD1 ASN A 19 -5.765 -11.487 1.118 1.00 10.00 O ATOM 258 ND2 ASN A 19 -5.237 -11.071 -1.005 1.00 10.00 N ATOM 0 H ASN A 19 -2.532 -10.545 -1.572 1.00 10.00 H new ATOM 0 HA ASN A 19 -3.488 -9.033 0.541 1.00 10.00 H new ATOM 0 HB2 ASN A 19 -2.899 -11.960 0.122 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -3.343 -11.413 1.726 1.00 10.00 H new ATOM 0 HD21 ASN A 19 -6.210 -11.154 -1.299 1.00 10.00 H new ATOM 0 HD22 ASN A 19 -4.513 -10.862 -1.692 1.00 10.00 H new ATOM 265 N ARG A 20 -0.346 -9.794 0.987 1.00 10.00 N ATOM 266 CA ARG A 20 0.798 -9.529 1.838 1.00 10.00 C ATOM 267 C ARG A 20 0.926 -8.026 2.087 1.00 10.00 C ATOM 268 O ARG A 20 1.213 -7.625 3.218 1.00 10.00 O ATOM 269 CB ARG A 20 2.078 -10.111 1.216 1.00 10.00 C ATOM 270 CG ARG A 20 2.955 -10.754 2.294 1.00 10.00 C ATOM 271 CD ARG A 20 2.440 -12.149 2.684 1.00 10.00 C ATOM 272 NE ARG A 20 3.158 -13.213 1.960 1.00 10.00 N ATOM 273 CZ ARG A 20 2.802 -13.806 0.805 1.00 10.00 C ATOM 274 NH1 ARG A 20 1.656 -13.494 0.188 1.00 10.00 N ATOM 275 NH2 ARG A 20 3.617 -14.723 0.269 1.00 10.00 N ATOM 0 H ARG A 20 -0.100 -10.142 0.060 1.00 10.00 H new ATOM 0 HA ARG A 20 0.650 -10.019 2.800 1.00 10.00 H new ATOM 0 HB2 ARG A 20 1.817 -10.853 0.461 1.00 10.00 H new ATOM 0 HB3 ARG A 20 2.634 -9.322 0.709 1.00 10.00 H new ATOM 0 HG2 ARG A 20 3.980 -10.832 1.931 1.00 10.00 H new ATOM 0 HG3 ARG A 20 2.977 -10.114 3.176 1.00 10.00 H new ATOM 0 HD2 ARG A 20 2.559 -12.294 3.758 1.00 10.00 H new ATOM 0 HD3 ARG A 20 1.374 -12.217 2.469 1.00 10.00 H new ATOM 0 HE ARG A 20 4.027 -13.538 2.384 1.00 10.00 H new ATOM 0 HH11 ARG A 20 1.033 -12.795 0.592 1.00 10.00 H new ATOM 0 HH12 ARG A 20 1.406 -13.955 -0.686 1.00 10.00 H new ATOM 0 HH21 ARG A 20 4.492 -14.962 0.735 1.00 10.00 H new ATOM 0 HH22 ARG A 20 3.363 -15.182 -0.606 1.00 10.00 H new ATOM 289 N ILE A 21 0.698 -7.208 1.044 1.00 10.00 N ATOM 290 CA ILE A 21 0.579 -5.759 1.176 1.00 10.00 C ATOM 291 C ILE A 21 -0.234 -5.440 2.424 1.00 10.00 C ATOM 292 O ILE A 21 0.269 -4.761 3.308 1.00 10.00 O ATOM 293 CB ILE A 21 -0.108 -5.088 -0.033 1.00 10.00 C ATOM 294 CG1 ILE A 21 0.442 -5.458 -1.420 1.00 10.00 C ATOM 295 CG2 ILE A 21 -0.074 -3.569 0.163 1.00 10.00 C ATOM 296 CD1 ILE A 21 1.752 -4.784 -1.799 1.00 10.00 C ATOM 0 H ILE A 21 0.592 -7.542 0.086 1.00 10.00 H new ATOM 0 HA ILE A 21 1.593 -5.365 1.237 1.00 10.00 H new ATOM 0 HB ILE A 21 -1.126 -5.478 -0.044 1.00 10.00 H new ATOM 0 HG12 ILE A 21 0.583 -6.538 -1.461 1.00 10.00 H new ATOM 0 HG13 ILE A 21 -0.308 -5.206 -2.170 1.00 10.00 H new ATOM 0 HG21 ILE A 21 -0.556 -3.082 -0.684 1.00 10.00 H new ATOM 0 HG22 ILE A 21 -0.602 -3.309 1.080 1.00 10.00 H new ATOM 0 HG23 ILE A 21 0.961 -3.234 0.233 1.00 10.00 H new ATOM 0 HD11 ILE A 21 2.055 -5.111 -2.794 1.00 10.00 H new ATOM 0 HD12 ILE A 21 1.618 -3.702 -1.797 1.00 10.00 H new ATOM 0 HD13 ILE A 21 2.523 -5.055 -1.078 1.00 10.00 H new ATOM 308 N GLU A 22 -1.468 -5.946 2.501 1.00 10.00 N ATOM 309 CA GLU A 22 -2.425 -5.608 3.546 1.00 10.00 C ATOM 310 C GLU A 22 -1.810 -5.722 4.943 1.00 10.00 C ATOM 311 O GLU A 22 -1.968 -4.823 5.763 1.00 10.00 O ATOM 312 CB GLU A 22 -3.673 -6.490 3.418 1.00 10.00 C ATOM 313 CG GLU A 22 -4.382 -6.294 2.069 1.00 10.00 C ATOM 314 CD GLU A 22 -5.587 -7.216 1.932 1.00 10.00 C ATOM 315 OE1 GLU A 22 -6.348 -7.302 2.920 1.00 10.00 O ATOM 316 OE2 GLU A 22 -5.709 -7.823 0.847 1.00 10.00 O ATOM 0 H GLU A 22 -1.832 -6.615 1.823 1.00 10.00 H new ATOM 0 HA GLU A 22 -2.715 -4.566 3.414 1.00 10.00 H new ATOM 0 HB2 GLU A 22 -3.390 -7.537 3.530 1.00 10.00 H new ATOM 0 HB3 GLU A 22 -4.365 -6.259 4.228 1.00 10.00 H new ATOM 0 HG2 GLU A 22 -4.703 -5.257 1.973 1.00 10.00 H new ATOM 0 HG3 GLU A 22 -3.681 -6.487 1.257 1.00 10.00 H new ATOM 323 N LYS A 23 -1.081 -6.806 5.220 1.00 10.00 N ATOM 324 CA LYS A 23 -0.437 -7.021 6.493 1.00 10.00 C ATOM 325 C LYS A 23 0.754 -6.079 6.649 1.00 10.00 C ATOM 326 O LYS A 23 0.949 -5.483 7.710 1.00 10.00 O ATOM 327 CB LYS A 23 -0.014 -8.489 6.599 1.00 10.00 C ATOM 328 CG LYS A 23 -1.170 -9.435 6.962 1.00 10.00 C ATOM 329 CD LYS A 23 -1.443 -9.579 8.474 1.00 10.00 C ATOM 330 CE LYS A 23 -2.123 -8.353 9.108 1.00 10.00 C ATOM 331 NZ LYS A 23 -2.699 -8.640 10.438 1.00 10.00 N ATOM 0 H LYS A 23 -0.927 -7.560 4.551 1.00 10.00 H new ATOM 0 HA LYS A 23 -1.132 -6.802 7.303 1.00 10.00 H new ATOM 0 HB2 LYS A 23 0.418 -8.804 5.649 1.00 10.00 H new ATOM 0 HB3 LYS A 23 0.769 -8.580 7.351 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -2.078 -9.078 6.476 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -0.955 -10.421 6.551 1.00 10.00 H new ATOM 0 HD2 LYS A 23 -2.071 -10.455 8.637 1.00 10.00 H new ATOM 0 HD3 LYS A 23 -0.499 -9.764 8.987 1.00 10.00 H new ATOM 0 HE2 LYS A 23 -1.395 -7.547 9.199 1.00 10.00 H new ATOM 0 HE3 LYS A 23 -2.912 -7.998 8.445 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 -3.143 -7.779 10.817 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 -3.414 -9.390 10.352 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 -1.945 -8.953 11.083 1.00 10.00 H new ATOM 345 N ARG A 24 1.578 -5.955 5.607 1.00 10.00 N ATOM 346 CA ARG A 24 2.752 -5.097 5.691 1.00 10.00 C ATOM 347 C ARG A 24 2.362 -3.628 5.908 1.00 10.00 C ATOM 348 O ARG A 24 3.082 -2.894 6.581 1.00 10.00 O ATOM 349 CB ARG A 24 3.639 -5.301 4.459 1.00 10.00 C ATOM 350 CG ARG A 24 5.137 -5.225 4.794 1.00 10.00 C ATOM 351 CD ARG A 24 5.754 -6.591 5.132 1.00 10.00 C ATOM 352 NE ARG A 24 5.334 -7.100 6.446 1.00 10.00 N ATOM 353 CZ ARG A 24 5.591 -8.337 6.903 1.00 10.00 C ATOM 354 NH1 ARG A 24 6.310 -9.185 6.158 1.00 10.00 N ATOM 355 NH2 ARG A 24 5.133 -8.715 8.101 1.00 10.00 N ATOM 0 H ARG A 24 1.455 -6.430 4.713 1.00 10.00 H new ATOM 0 HA ARG A 24 3.336 -5.382 6.566 1.00 10.00 H new ATOM 0 HB2 ARG A 24 3.418 -6.271 4.013 1.00 10.00 H new ATOM 0 HB3 ARG A 24 3.398 -4.544 3.712 1.00 10.00 H new ATOM 0 HG2 ARG A 24 5.670 -4.793 3.947 1.00 10.00 H new ATOM 0 HG3 ARG A 24 5.280 -4.551 5.638 1.00 10.00 H new ATOM 0 HD2 ARG A 24 5.474 -7.311 4.363 1.00 10.00 H new ATOM 0 HD3 ARG A 24 6.841 -6.508 5.111 1.00 10.00 H new ATOM 0 HE ARG A 24 4.811 -6.469 7.053 1.00 10.00 H new ATOM 0 HH11 ARG A 24 6.661 -8.891 5.246 1.00 10.00 H new ATOM 0 HH12 ARG A 24 6.507 -10.125 6.502 1.00 10.00 H new ATOM 0 HH21 ARG A 24 4.589 -8.064 8.667 1.00 10.00 H new ATOM 0 HH22 ARG A 24 5.328 -9.654 8.448 1.00 10.00 H new ATOM 369 N LEU A 25 1.221 -3.218 5.357 1.00 10.00 N ATOM 370 CA LEU A 25 0.624 -1.905 5.509 1.00 10.00 C ATOM 371 C LEU A 25 -0.131 -1.779 6.828 1.00 10.00 C ATOM 372 O LEU A 25 -0.015 -0.749 7.482 1.00 10.00 O ATOM 373 CB LEU A 25 -0.258 -1.595 4.288 1.00 10.00 C ATOM 374 CG LEU A 25 0.352 -0.437 3.492 1.00 10.00 C ATOM 375 CD1 LEU A 25 -0.048 -0.512 2.019 1.00 10.00 C ATOM 376 CD2 LEU A 25 -0.132 0.876 4.121 1.00 10.00 C ATOM 0 H LEU A 25 0.663 -3.830 4.762 1.00 10.00 H new ATOM 0 HA LEU A 25 1.416 -1.157 5.550 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -0.344 -2.479 3.655 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -1.266 -1.336 4.612 1.00 10.00 H new ATOM 0 HG LEU A 25 1.440 -0.494 3.530 1.00 10.00 H new ATOM 0 HD11 LEU A 25 0.399 0.322 1.478 1.00 10.00 H new ATOM 0 HD12 LEU A 25 0.305 -1.451 1.594 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -1.133 -0.460 1.934 1.00 10.00 H new ATOM 0 HD21 LEU A 25 0.288 1.719 3.572 1.00 10.00 H new ATOM 0 HD22 LEU A 25 -1.220 0.921 4.077 1.00 10.00 H new ATOM 0 HD23 LEU A 25 0.192 0.922 5.161 1.00 10.00 H new ATOM 388 N ASN A 26 -0.853 -2.819 7.267 1.00 10.00 N ATOM 389 CA ASN A 26 -1.454 -2.858 8.603 1.00 10.00 C ATOM 390 C ASN A 26 -0.423 -2.488 9.662 1.00 10.00 C ATOM 391 O ASN A 26 -0.779 -1.926 10.691 1.00 10.00 O ATOM 392 CB ASN A 26 -1.989 -4.253 8.976 1.00 10.00 C ATOM 393 CG ASN A 26 -3.454 -4.516 8.653 1.00 10.00 C ATOM 394 OD1 ASN A 26 -3.793 -5.594 8.172 1.00 10.00 O ATOM 395 ND2 ASN A 26 -4.350 -3.598 9.005 1.00 10.00 N ATOM 0 H ASN A 26 -1.035 -3.652 6.707 1.00 10.00 H new ATOM 0 HA ASN A 26 -2.280 -2.147 8.574 1.00 10.00 H new ATOM 0 HB2 ASN A 26 -1.385 -5.001 8.463 1.00 10.00 H new ATOM 0 HB3 ASN A 26 -1.841 -4.403 10.045 1.00 10.00 H new ATOM 0 HD21 ASN A 26 -5.345 -3.782 8.878 1.00 10.00 H new ATOM 0 HD22 ASN A 26 -4.042 -2.711 9.402 1.00 10.00 H new ATOM 402 N LYS A 27 0.843 -2.855 9.436 1.00 10.00 N ATOM 403 CA LYS A 27 1.914 -2.488 10.346 1.00 10.00 C ATOM 404 C LYS A 27 1.984 -0.977 10.620 1.00 10.00 C ATOM 405 O LYS A 27 2.337 -0.579 11.726 1.00 10.00 O ATOM 406 CB LYS A 27 3.237 -2.974 9.751 1.00 10.00 C ATOM 407 CG LYS A 27 4.108 -3.751 10.742 1.00 10.00 C ATOM 408 CD LYS A 27 5.565 -3.289 10.630 1.00 10.00 C ATOM 409 CE LYS A 27 6.115 -3.495 9.208 1.00 10.00 C ATOM 410 NZ LYS A 27 7.420 -2.822 9.030 1.00 10.00 N ATOM 0 H LYS A 27 1.143 -3.404 8.631 1.00 10.00 H new ATOM 0 HA LYS A 27 1.715 -2.962 11.307 1.00 10.00 H new ATOM 0 HB2 LYS A 27 3.027 -3.609 8.890 1.00 10.00 H new ATOM 0 HB3 LYS A 27 3.798 -2.114 9.384 1.00 10.00 H new ATOM 0 HG2 LYS A 27 3.745 -3.595 11.758 1.00 10.00 H new ATOM 0 HG3 LYS A 27 4.040 -4.820 10.539 1.00 10.00 H new ATOM 0 HD2 LYS A 27 5.635 -2.235 10.899 1.00 10.00 H new ATOM 0 HD3 LYS A 27 6.178 -3.841 11.342 1.00 10.00 H new ATOM 0 HE2 LYS A 27 6.224 -4.561 9.010 1.00 10.00 H new ATOM 0 HE3 LYS A 27 5.402 -3.107 8.481 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 7.763 -2.980 8.061 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 7.310 -1.801 9.196 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 8.106 -3.211 9.708 1.00 10.00 H new ATOM 424 N ILE A 28 1.727 -0.148 9.605 1.00 10.00 N ATOM 425 CA ILE A 28 1.720 1.302 9.735 1.00 10.00 C ATOM 426 C ILE A 28 0.647 1.710 10.749 1.00 10.00 C ATOM 427 O ILE A 28 -0.491 1.262 10.635 1.00 10.00 O ATOM 428 CB ILE A 28 1.465 1.931 8.351 1.00 10.00 C ATOM 429 CG1 ILE A 28 2.470 1.466 7.280 1.00 10.00 C ATOM 430 CG2 ILE A 28 1.464 3.454 8.465 1.00 10.00 C ATOM 431 CD1 ILE A 28 3.928 1.525 7.731 1.00 10.00 C ATOM 0 H ILE A 28 1.516 -0.473 8.662 1.00 10.00 H new ATOM 0 HA ILE A 28 2.683 1.661 10.098 1.00 10.00 H new ATOM 0 HB ILE A 28 0.486 1.587 8.019 1.00 10.00 H new ATOM 0 HG12 ILE A 28 2.231 0.443 6.991 1.00 10.00 H new ATOM 0 HG13 ILE A 28 2.350 2.084 6.390 1.00 10.00 H new ATOM 0 HG21 ILE A 28 1.283 3.892 7.483 1.00 10.00 H new ATOM 0 HG22 ILE A 28 0.678 3.767 9.152 1.00 10.00 H new ATOM 0 HG23 ILE A 28 2.430 3.791 8.841 1.00 10.00 H new ATOM 0 HD11 ILE A 28 4.573 1.182 6.922 1.00 10.00 H new ATOM 0 HD12 ILE A 28 4.187 2.551 7.992 1.00 10.00 H new ATOM 0 HD13 ILE A 28 4.066 0.884 8.602 1.00 10.00 H new ATOM 443 N GLU A 29 0.985 2.540 11.739 1.00 10.00 N ATOM 444 CA GLU A 29 0.035 2.883 12.787 1.00 10.00 C ATOM 445 C GLU A 29 -0.953 3.955 12.318 1.00 10.00 C ATOM 446 O GLU A 29 -2.140 3.857 12.622 1.00 10.00 O ATOM 447 CB GLU A 29 0.740 3.228 14.105 1.00 10.00 C ATOM 448 CG GLU A 29 1.506 2.020 14.666 1.00 10.00 C ATOM 449 CD GLU A 29 1.849 2.190 16.144 1.00 10.00 C ATOM 450 OE1 GLU A 29 1.969 3.355 16.579 1.00 10.00 O ATOM 451 OE2 GLU A 29 1.966 1.144 16.818 1.00 10.00 O ATOM 0 H GLU A 29 1.900 2.980 11.832 1.00 10.00 H new ATOM 0 HA GLU A 29 -0.565 1.998 13.001 1.00 10.00 H new ATOM 0 HB2 GLU A 29 1.431 4.055 13.944 1.00 10.00 H new ATOM 0 HB3 GLU A 29 0.004 3.565 14.835 1.00 10.00 H new ATOM 0 HG2 GLU A 29 0.906 1.119 14.535 1.00 10.00 H new ATOM 0 HG3 GLU A 29 2.424 1.877 14.096 1.00 10.00 H new ATOM 458 N GLY A 30 -0.538 4.946 11.519 1.00 10.00 N ATOM 459 CA GLY A 30 -1.446 5.968 11.023 1.00 10.00 C ATOM 460 C GLY A 30 -2.315 5.472 9.872 1.00 10.00 C ATOM 461 O GLY A 30 -2.680 6.263 9.007 1.00 10.00 O ATOM 0 H GLY A 30 0.426 5.055 11.205 1.00 10.00 H new ATOM 0 HA2 GLY A 30 -2.087 6.306 11.838 1.00 10.00 H new ATOM 0 HA3 GLY A 30 -0.869 6.832 10.692 1.00 10.00 H new ATOM 465 N VAL A 31 -2.640 4.183 9.837 1.00 10.00 N ATOM 466 CA VAL A 31 -3.395 3.556 8.776 1.00 10.00 C ATOM 467 C VAL A 31 -4.823 3.352 9.272 1.00 10.00 C ATOM 468 O VAL A 31 -5.035 3.131 10.462 1.00 10.00 O ATOM 469 CB VAL A 31 -2.682 2.250 8.396 1.00 10.00 C ATOM 470 CG1 VAL A 31 -3.123 1.042 9.232 1.00 10.00 C ATOM 471 CG2 VAL A 31 -2.842 1.972 6.906 1.00 10.00 C ATOM 0 H VAL A 31 -2.372 3.531 10.575 1.00 10.00 H new ATOM 0 HA VAL A 31 -3.451 4.167 7.875 1.00 10.00 H new ATOM 0 HB VAL A 31 -1.626 2.397 8.624 1.00 10.00 H new ATOM 0 HG11 VAL A 31 -2.577 0.156 8.907 1.00 10.00 H new ATOM 0 HG12 VAL A 31 -2.913 1.232 10.285 1.00 10.00 H new ATOM 0 HG13 VAL A 31 -4.192 0.878 9.099 1.00 10.00 H new ATOM 0 HG21 VAL A 31 -2.331 1.043 6.652 1.00 10.00 H new ATOM 0 HG22 VAL A 31 -3.901 1.881 6.664 1.00 10.00 H new ATOM 0 HG23 VAL A 31 -2.408 2.792 6.334 1.00 10.00 H new ATOM 481 N ALA A 32 -5.802 3.437 8.371 1.00 10.00 N ATOM 482 CA ALA A 32 -7.195 3.169 8.697 1.00 10.00 C ATOM 483 C ALA A 32 -7.711 1.991 7.885 1.00 10.00 C ATOM 484 O ALA A 32 -8.341 1.094 8.439 1.00 10.00 O ATOM 485 CB ALA A 32 -8.024 4.426 8.463 1.00 10.00 C ATOM 0 H ALA A 32 -5.647 3.694 7.396 1.00 10.00 H new ATOM 0 HA ALA A 32 -7.280 2.898 9.749 1.00 10.00 H new ATOM 0 HB1 ALA A 32 -9.067 4.225 8.707 1.00 10.00 H new ATOM 0 HB2 ALA A 32 -7.652 5.231 9.097 1.00 10.00 H new ATOM 0 HB3 ALA A 32 -7.947 4.723 7.417 1.00 10.00 H new ATOM 491 N ASN A 33 -7.461 1.987 6.573 1.00 10.00 N ATOM 492 CA ASN A 33 -8.018 0.983 5.678 1.00 10.00 C ATOM 493 C ASN A 33 -7.002 0.710 4.572 1.00 10.00 C ATOM 494 O ASN A 33 -6.330 1.638 4.137 1.00 10.00 O ATOM 495 CB ASN A 33 -9.346 1.492 5.089 1.00 10.00 C ATOM 496 CG ASN A 33 -10.435 1.727 6.136 1.00 10.00 C ATOM 497 OD1 ASN A 33 -11.103 0.779 6.535 1.00 10.00 O ATOM 498 ND2 ASN A 33 -10.668 2.967 6.569 1.00 10.00 N ATOM 0 H ASN A 33 -6.870 2.677 6.109 1.00 10.00 H new ATOM 0 HA ASN A 33 -8.222 0.059 6.219 1.00 10.00 H new ATOM 0 HB2 ASN A 33 -9.162 2.424 4.554 1.00 10.00 H new ATOM 0 HB3 ASN A 33 -9.708 0.770 4.357 1.00 10.00 H new ATOM 0 HD21 ASN A 33 -11.413 3.140 7.244 1.00 10.00 H new ATOM 0 HD22 ASN A 33 -10.101 3.742 6.225 1.00 10.00 H new ATOM 505 N ALA A 34 -6.886 -0.536 4.100 1.00 10.00 N ATOM 506 CA ALA A 34 -5.999 -0.904 2.996 1.00 10.00 C ATOM 507 C ALA A 34 -6.685 -1.853 1.998 1.00 10.00 C ATOM 508 O ALA A 34 -6.219 -2.973 1.801 1.00 10.00 O ATOM 509 CB ALA A 34 -4.711 -1.510 3.569 1.00 10.00 C ATOM 0 H ALA A 34 -7.412 -1.324 4.479 1.00 10.00 H new ATOM 0 HA ALA A 34 -5.748 -0.007 2.430 1.00 10.00 H new ATOM 0 HB1 ALA A 34 -4.044 -1.787 2.752 1.00 10.00 H new ATOM 0 HB2 ALA A 34 -4.217 -0.778 4.208 1.00 10.00 H new ATOM 0 HB3 ALA A 34 -4.955 -2.396 4.155 1.00 10.00 H new ATOM 515 N PRO A 35 -7.788 -1.440 1.352 1.00 10.00 N ATOM 516 CA PRO A 35 -8.499 -2.269 0.390 1.00 10.00 C ATOM 517 C PRO A 35 -7.737 -2.308 -0.942 1.00 10.00 C ATOM 518 O PRO A 35 -8.128 -1.660 -1.909 1.00 10.00 O ATOM 519 CB PRO A 35 -9.878 -1.616 0.266 1.00 10.00 C ATOM 520 CG PRO A 35 -9.574 -0.133 0.478 1.00 10.00 C ATOM 521 CD PRO A 35 -8.474 -0.173 1.539 1.00 10.00 C ATOM 0 HA PRO A 35 -8.589 -3.310 0.699 1.00 10.00 H new ATOM 0 HB2 PRO A 35 -10.326 -1.801 -0.710 1.00 10.00 H new ATOM 0 HB3 PRO A 35 -10.574 -1.997 1.014 1.00 10.00 H new ATOM 0 HG2 PRO A 35 -9.236 0.348 -0.440 1.00 10.00 H new ATOM 0 HG3 PRO A 35 -10.450 0.416 0.822 1.00 10.00 H new ATOM 0 HD2 PRO A 35 -7.787 0.665 1.421 1.00 10.00 H new ATOM 0 HD3 PRO A 35 -8.895 -0.101 2.542 1.00 10.00 H new ATOM 529 N VAL A 36 -6.633 -3.054 -0.986 1.00 10.00 N ATOM 530 CA VAL A 36 -5.794 -3.175 -2.172 1.00 10.00 C ATOM 531 C VAL A 36 -6.491 -3.950 -3.292 1.00 10.00 C ATOM 532 O VAL A 36 -7.360 -4.784 -3.034 1.00 10.00 O ATOM 533 CB VAL A 36 -4.442 -3.808 -1.810 1.00 10.00 C ATOM 534 CG1 VAL A 36 -3.839 -3.126 -0.578 1.00 10.00 C ATOM 535 CG2 VAL A 36 -4.536 -5.318 -1.564 1.00 10.00 C ATOM 0 H VAL A 36 -6.295 -3.595 -0.190 1.00 10.00 H new ATOM 0 HA VAL A 36 -5.612 -2.170 -2.553 1.00 10.00 H new ATOM 0 HB VAL A 36 -3.794 -3.657 -2.673 1.00 10.00 H new ATOM 0 HG11 VAL A 36 -2.882 -3.589 -0.338 1.00 10.00 H new ATOM 0 HG12 VAL A 36 -3.688 -2.067 -0.786 1.00 10.00 H new ATOM 0 HG13 VAL A 36 -4.518 -3.237 0.268 1.00 10.00 H new ATOM 0 HG21 VAL A 36 -3.550 -5.708 -1.312 1.00 10.00 H new ATOM 0 HG22 VAL A 36 -5.223 -5.510 -0.740 1.00 10.00 H new ATOM 0 HG23 VAL A 36 -4.902 -5.811 -2.464 1.00 10.00 H new ATOM 545 N ASN A 37 -6.082 -3.710 -4.542 1.00 10.00 N ATOM 546 CA ASN A 37 -6.742 -4.306 -5.695 1.00 10.00 C ATOM 547 C ASN A 37 -6.024 -5.586 -6.119 1.00 10.00 C ATOM 548 O ASN A 37 -5.110 -5.558 -6.946 1.00 10.00 O ATOM 549 CB ASN A 37 -6.831 -3.315 -6.855 1.00 10.00 C ATOM 550 CG ASN A 37 -7.569 -2.027 -6.497 1.00 10.00 C ATOM 551 OD1 ASN A 37 -8.501 -2.041 -5.700 1.00 10.00 O ATOM 552 ND2 ASN A 37 -7.176 -0.912 -7.100 1.00 10.00 N ATOM 0 H ASN A 37 -5.295 -3.105 -4.775 1.00 10.00 H new ATOM 0 HA ASN A 37 -7.761 -4.565 -5.407 1.00 10.00 H new ATOM 0 HB2 ASN A 37 -5.824 -3.067 -7.189 1.00 10.00 H new ATOM 0 HB3 ASN A 37 -7.336 -3.793 -7.694 1.00 10.00 H new ATOM 0 HD21 ASN A 37 -7.653 -0.032 -6.906 1.00 10.00 H new ATOM 0 HD22 ASN A 37 -6.397 -0.935 -7.758 1.00 10.00 H new ATOM 559 N PHE A 38 -6.478 -6.720 -5.584 1.00 10.00 N ATOM 560 CA PHE A 38 -5.919 -8.065 -5.744 1.00 10.00 C ATOM 561 C PHE A 38 -6.137 -8.676 -7.142 1.00 10.00 C ATOM 562 O PHE A 38 -6.428 -9.865 -7.261 1.00 10.00 O ATOM 563 CB PHE A 38 -6.490 -8.952 -4.622 1.00 10.00 C ATOM 564 CG PHE A 38 -7.975 -8.776 -4.354 1.00 10.00 C ATOM 565 CD1 PHE A 38 -8.925 -9.378 -5.200 1.00 10.00 C ATOM 566 CD2 PHE A 38 -8.403 -7.916 -3.324 1.00 10.00 C ATOM 567 CE1 PHE A 38 -10.293 -9.091 -5.042 1.00 10.00 C ATOM 568 CE2 PHE A 38 -9.766 -7.607 -3.186 1.00 10.00 C ATOM 569 CZ PHE A 38 -10.711 -8.193 -4.045 1.00 10.00 C ATOM 0 H PHE A 38 -7.304 -6.724 -4.985 1.00 10.00 H new ATOM 0 HA PHE A 38 -4.834 -7.999 -5.660 1.00 10.00 H new ATOM 0 HB2 PHE A 38 -6.303 -9.996 -4.875 1.00 10.00 H new ATOM 0 HB3 PHE A 38 -5.943 -8.744 -3.702 1.00 10.00 H new ATOM 0 HD1 PHE A 38 -8.603 -10.061 -5.972 1.00 10.00 H new ATOM 0 HD2 PHE A 38 -7.682 -7.494 -2.640 1.00 10.00 H new ATOM 0 HE1 PHE A 38 -11.022 -9.560 -5.686 1.00 10.00 H new ATOM 0 HE2 PHE A 38 -10.088 -6.918 -2.419 1.00 10.00 H new ATOM 0 HZ PHE A 38 -11.759 -7.953 -3.939 1.00 10.00 H new ATOM 579 N ALA A 39 -5.936 -7.883 -8.195 1.00 10.00 N ATOM 580 CA ALA A 39 -6.025 -8.270 -9.601 1.00 10.00 C ATOM 581 C ALA A 39 -5.649 -7.094 -10.508 1.00 10.00 C ATOM 582 O ALA A 39 -5.062 -7.296 -11.564 1.00 10.00 O ATOM 583 CB ALA A 39 -7.439 -8.748 -9.954 1.00 10.00 C ATOM 0 H ALA A 39 -5.693 -6.899 -8.082 1.00 10.00 H new ATOM 0 HA ALA A 39 -5.325 -9.090 -9.760 1.00 10.00 H new ATOM 0 HB1 ALA A 39 -7.476 -9.029 -11.006 1.00 10.00 H new ATOM 0 HB2 ALA A 39 -7.696 -9.610 -9.339 1.00 10.00 H new ATOM 0 HB3 ALA A 39 -8.152 -7.944 -9.768 1.00 10.00 H new ATOM 589 N LEU A 40 -6.023 -5.873 -10.110 1.00 10.00 N ATOM 590 CA LEU A 40 -5.900 -4.664 -10.921 1.00 10.00 C ATOM 591 C LEU A 40 -4.564 -3.950 -10.716 1.00 10.00 C ATOM 592 O LEU A 40 -4.359 -2.842 -11.210 1.00 10.00 O ATOM 593 CB LEU A 40 -7.016 -3.693 -10.550 1.00 10.00 C ATOM 594 CG LEU A 40 -8.368 -4.350 -10.244 1.00 10.00 C ATOM 595 CD1 LEU A 40 -9.306 -3.206 -9.892 1.00 10.00 C ATOM 596 CD2 LEU A 40 -8.874 -5.203 -11.407 1.00 10.00 C ATOM 0 H LEU A 40 -6.430 -5.697 -9.191 1.00 10.00 H new ATOM 0 HA LEU A 40 -5.965 -4.973 -11.964 1.00 10.00 H new ATOM 0 HB2 LEU A 40 -6.703 -3.118 -9.679 1.00 10.00 H new ATOM 0 HB3 LEU A 40 -7.149 -2.985 -11.368 1.00 10.00 H new ATOM 0 HG LEU A 40 -8.293 -5.056 -9.417 1.00 10.00 H new ATOM 0 HD11 LEU A 40 -10.294 -3.604 -9.661 1.00 10.00 H new ATOM 0 HD12 LEU A 40 -8.918 -2.671 -9.025 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -9.379 -2.522 -10.737 1.00 10.00 H new ATOM 0 HD21 LEU A 40 -9.834 -5.647 -11.142 1.00 10.00 H new ATOM 0 HD22 LEU A 40 -8.995 -4.577 -12.291 1.00 10.00 H new ATOM 0 HD23 LEU A 40 -8.154 -5.994 -11.618 1.00 10.00 H new ATOM 608 N GLU A 41 -3.698 -4.553 -9.909 1.00 10.00 N ATOM 609 CA GLU A 41 -2.281 -4.215 -9.816 1.00 10.00 C ATOM 610 C GLU A 41 -2.107 -2.795 -9.279 1.00 10.00 C ATOM 611 O GLU A 41 -1.232 -2.047 -9.715 1.00 10.00 O ATOM 612 CB GLU A 41 -1.598 -4.402 -11.181 1.00 10.00 C ATOM 613 CG GLU A 41 -1.897 -5.777 -11.791 1.00 10.00 C ATOM 614 CD GLU A 41 -1.167 -5.972 -13.112 1.00 10.00 C ATOM 615 OE1 GLU A 41 -1.724 -5.530 -14.139 1.00 10.00 O ATOM 616 OE2 GLU A 41 -0.064 -6.556 -13.064 1.00 10.00 O ATOM 0 H GLU A 41 -3.969 -5.312 -9.284 1.00 10.00 H new ATOM 0 HA GLU A 41 -1.797 -4.891 -9.112 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -1.934 -3.622 -11.864 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -0.521 -4.283 -11.066 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -1.601 -6.559 -11.092 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -2.971 -5.881 -11.949 1.00 10.00 H new ATOM 623 N THR A 42 -2.963 -2.436 -8.321 1.00 10.00 N ATOM 624 CA THR A 42 -3.037 -1.122 -7.714 1.00 10.00 C ATOM 625 C THR A 42 -3.336 -1.310 -6.224 1.00 10.00 C ATOM 626 O THR A 42 -4.228 -2.071 -5.853 1.00 10.00 O ATOM 627 CB THR A 42 -4.111 -0.288 -8.436 1.00 10.00 C ATOM 628 OG1 THR A 42 -5.109 -1.122 -9.005 1.00 10.00 O ATOM 629 CG2 THR A 42 -3.490 0.531 -9.567 1.00 10.00 C ATOM 0 H THR A 42 -3.649 -3.086 -7.936 1.00 10.00 H new ATOM 0 HA THR A 42 -2.097 -0.578 -7.809 1.00 10.00 H new ATOM 0 HB THR A 42 -4.556 0.371 -7.690 1.00 10.00 H new ATOM 0 HG1 THR A 42 -4.762 -1.536 -9.823 1.00 10.00 H new ATOM 0 HG21 THR A 42 -4.266 1.113 -10.064 1.00 10.00 H new ATOM 0 HG22 THR A 42 -2.738 1.205 -9.157 1.00 10.00 H new ATOM 0 HG23 THR A 42 -3.022 -0.140 -10.288 1.00 10.00 H new ATOM 637 N VAL A 43 -2.565 -0.660 -5.357 1.00 10.00 N ATOM 638 CA VAL A 43 -2.817 -0.643 -3.922 1.00 10.00 C ATOM 639 C VAL A 43 -3.493 0.682 -3.589 1.00 10.00 C ATOM 640 O VAL A 43 -3.094 1.721 -4.110 1.00 10.00 O ATOM 641 CB VAL A 43 -1.487 -0.826 -3.182 1.00 10.00 C ATOM 642 CG1 VAL A 43 -1.488 -0.379 -1.716 1.00 10.00 C ATOM 643 CG2 VAL A 43 -1.016 -2.281 -3.291 1.00 10.00 C ATOM 0 H VAL A 43 -1.741 -0.126 -5.634 1.00 10.00 H new ATOM 0 HA VAL A 43 -3.474 -1.455 -3.610 1.00 10.00 H new ATOM 0 HB VAL A 43 -0.788 -0.156 -3.683 1.00 10.00 H new ATOM 0 HG11 VAL A 43 -0.502 -0.550 -1.283 1.00 10.00 H new ATOM 0 HG12 VAL A 43 -1.730 0.682 -1.659 1.00 10.00 H new ATOM 0 HG13 VAL A 43 -2.232 -0.951 -1.162 1.00 10.00 H new ATOM 0 HG21 VAL A 43 -0.070 -2.398 -2.761 1.00 10.00 H new ATOM 0 HG22 VAL A 43 -1.764 -2.940 -2.849 1.00 10.00 H new ATOM 0 HG23 VAL A 43 -0.879 -2.541 -4.341 1.00 10.00 H new ATOM 653 N THR A 44 -4.492 0.631 -2.711 1.00 10.00 N ATOM 654 CA THR A 44 -5.292 1.758 -2.288 1.00 10.00 C ATOM 655 C THR A 44 -5.264 1.771 -0.763 1.00 10.00 C ATOM 656 O THR A 44 -5.684 0.792 -0.145 1.00 10.00 O ATOM 657 CB THR A 44 -6.715 1.546 -2.826 1.00 10.00 C ATOM 658 OG1 THR A 44 -6.688 1.281 -4.218 1.00 10.00 O ATOM 659 CG2 THR A 44 -7.598 2.742 -2.482 1.00 10.00 C ATOM 0 H THR A 44 -4.772 -0.240 -2.260 1.00 10.00 H new ATOM 0 HA THR A 44 -4.920 2.712 -2.662 1.00 10.00 H new ATOM 0 HB THR A 44 -7.151 0.672 -2.343 1.00 10.00 H new ATOM 0 HG1 THR A 44 -6.869 2.108 -4.712 1.00 10.00 H new ATOM 0 HG21 THR A 44 -8.603 2.576 -2.870 1.00 10.00 H new ATOM 0 HG22 THR A 44 -7.642 2.862 -1.400 1.00 10.00 H new ATOM 0 HG23 THR A 44 -7.180 3.644 -2.930 1.00 10.00 H new ATOM 667 N VAL A 45 -4.756 2.847 -0.153 1.00 10.00 N ATOM 668 CA VAL A 45 -4.639 2.966 1.294 1.00 10.00 C ATOM 669 C VAL A 45 -5.376 4.212 1.754 1.00 10.00 C ATOM 670 O VAL A 45 -5.279 5.262 1.122 1.00 10.00 O ATOM 671 CB VAL A 45 -3.166 3.029 1.723 1.00 10.00 C ATOM 672 CG1 VAL A 45 -3.032 3.032 3.250 1.00 10.00 C ATOM 673 CG2 VAL A 45 -2.393 1.833 1.170 1.00 10.00 C ATOM 0 H VAL A 45 -4.413 3.664 -0.659 1.00 10.00 H new ATOM 0 HA VAL A 45 -5.084 2.086 1.758 1.00 10.00 H new ATOM 0 HB VAL A 45 -2.754 3.955 1.323 1.00 10.00 H new ATOM 0 HG11 VAL A 45 -1.978 3.077 3.523 1.00 10.00 H new ATOM 0 HG12 VAL A 45 -3.550 3.899 3.659 1.00 10.00 H new ATOM 0 HG13 VAL A 45 -3.473 2.121 3.656 1.00 10.00 H new ATOM 0 HG21 VAL A 45 -1.351 1.896 1.485 1.00 10.00 H new ATOM 0 HG22 VAL A 45 -2.832 0.910 1.549 1.00 10.00 H new ATOM 0 HG23 VAL A 45 -2.444 1.839 0.081 1.00 10.00 H new ATOM 683 N GLU A 46 -6.085 4.084 2.873 1.00 10.00 N ATOM 684 CA GLU A 46 -6.561 5.181 3.680 1.00 10.00 C ATOM 685 C GLU A 46 -5.596 5.300 4.865 1.00 10.00 C ATOM 686 O GLU A 46 -5.582 4.411 5.723 1.00 10.00 O ATOM 687 CB GLU A 46 -7.989 4.877 4.142 1.00 10.00 C ATOM 688 CG GLU A 46 -8.802 6.158 4.297 1.00 10.00 C ATOM 689 CD GLU A 46 -10.081 5.833 5.034 1.00 10.00 C ATOM 690 OE1 GLU A 46 -9.965 5.685 6.271 1.00 10.00 O ATOM 691 OE2 GLU A 46 -11.099 5.619 4.348 1.00 10.00 O ATOM 0 H GLU A 46 -6.349 3.173 3.249 1.00 10.00 H new ATOM 0 HA GLU A 46 -6.590 6.122 3.130 1.00 10.00 H new ATOM 0 HB2 GLU A 46 -8.475 4.219 3.421 1.00 10.00 H new ATOM 0 HB3 GLU A 46 -7.961 4.343 5.092 1.00 10.00 H new ATOM 0 HG2 GLU A 46 -8.229 6.905 4.846 1.00 10.00 H new ATOM 0 HG3 GLU A 46 -9.027 6.584 3.319 1.00 10.00 H new ATOM 698 N TYR A 47 -4.771 6.354 4.900 1.00 10.00 N ATOM 699 CA TYR A 47 -3.853 6.613 6.008 1.00 10.00 C ATOM 700 C TYR A 47 -3.852 8.098 6.328 1.00 10.00 C ATOM 701 O TYR A 47 -4.338 8.892 5.531 1.00 10.00 O ATOM 702 CB TYR A 47 -2.428 6.115 5.705 1.00 10.00 C ATOM 703 CG TYR A 47 -1.594 7.027 4.821 1.00 10.00 C ATOM 704 CD1 TYR A 47 -1.768 7.033 3.424 1.00 10.00 C ATOM 705 CD2 TYR A 47 -0.703 7.941 5.414 1.00 10.00 C ATOM 706 CE1 TYR A 47 -1.102 7.994 2.642 1.00 10.00 C ATOM 707 CE2 TYR A 47 -0.108 8.951 4.642 1.00 10.00 C ATOM 708 CZ TYR A 47 -0.336 8.995 3.258 1.00 10.00 C ATOM 709 OH TYR A 47 0.182 10.008 2.510 1.00 10.00 O ATOM 0 H TYR A 47 -4.724 7.051 4.157 1.00 10.00 H new ATOM 0 HA TYR A 47 -4.202 6.056 6.877 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -1.903 5.972 6.649 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -2.497 5.138 5.228 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -2.410 6.303 2.955 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -0.476 7.865 6.467 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -1.180 7.961 1.565 1.00 10.00 H new ATOM 0 HE2 TYR A 47 0.523 9.691 5.111 1.00 10.00 H new ATOM 0 HH TYR A 47 0.685 10.618 3.089 1.00 10.00 H new ATOM 719 N ASN A 48 -3.316 8.478 7.485 1.00 10.00 N ATOM 720 CA ASN A 48 -3.194 9.869 7.898 1.00 10.00 C ATOM 721 C ASN A 48 -1.723 10.286 7.842 1.00 10.00 C ATOM 722 O ASN A 48 -0.886 9.588 8.413 1.00 10.00 O ATOM 723 CB ASN A 48 -3.806 10.084 9.289 1.00 10.00 C ATOM 724 CG ASN A 48 -3.098 9.367 10.439 1.00 10.00 C ATOM 725 OD1 ASN A 48 -2.036 9.770 10.899 1.00 10.00 O ATOM 726 ND2 ASN A 48 -3.726 8.336 10.988 1.00 10.00 N ATOM 0 H ASN A 48 -2.950 7.817 8.170 1.00 10.00 H new ATOM 0 HA ASN A 48 -3.755 10.504 7.212 1.00 10.00 H new ATOM 0 HB2 ASN A 48 -3.815 11.153 9.501 1.00 10.00 H new ATOM 0 HB3 ASN A 48 -4.845 9.755 9.264 1.00 10.00 H new ATOM 0 HD21 ASN A 48 -3.326 7.870 11.802 1.00 10.00 H new ATOM 0 HD22 ASN A 48 -4.609 8.010 10.596 1.00 10.00 H new ATOM 733 N PRO A 49 -1.377 11.404 7.182 1.00 10.00 N ATOM 734 CA PRO A 49 -0.019 11.926 7.189 1.00 10.00 C ATOM 735 C PRO A 49 0.254 12.597 8.539 1.00 10.00 C ATOM 736 O PRO A 49 0.459 13.808 8.604 1.00 10.00 O ATOM 737 CB PRO A 49 0.035 12.900 6.007 1.00 10.00 C ATOM 738 CG PRO A 49 -1.387 13.455 5.965 1.00 10.00 C ATOM 739 CD PRO A 49 -2.239 12.250 6.364 1.00 10.00 C ATOM 0 HA PRO A 49 0.750 11.162 7.077 1.00 10.00 H new ATOM 0 HB2 PRO A 49 0.772 13.687 6.164 1.00 10.00 H new ATOM 0 HB3 PRO A 49 0.300 12.395 5.078 1.00 10.00 H new ATOM 0 HG2 PRO A 49 -1.516 14.287 6.657 1.00 10.00 H new ATOM 0 HG3 PRO A 49 -1.648 13.823 4.972 1.00 10.00 H new ATOM 0 HD2 PRO A 49 -3.122 12.563 6.922 1.00 10.00 H new ATOM 0 HD3 PRO A 49 -2.592 11.713 5.484 1.00 10.00 H new ATOM 747 N LYS A 50 0.238 11.813 9.622 1.00 10.00 N ATOM 748 CA LYS A 50 0.523 12.300 10.969 1.00 10.00 C ATOM 749 C LYS A 50 1.552 11.380 11.622 1.00 10.00 C ATOM 750 O LYS A 50 2.526 11.850 12.203 1.00 10.00 O ATOM 751 CB LYS A 50 -0.790 12.487 11.767 1.00 10.00 C ATOM 752 CG LYS A 50 -0.906 11.642 13.047 1.00 10.00 C ATOM 753 CD LYS A 50 -2.291 11.783 13.692 1.00 10.00 C ATOM 754 CE LYS A 50 -2.523 10.571 14.606 1.00 10.00 C ATOM 755 NZ LYS A 50 -3.792 10.664 15.357 1.00 10.00 N ATOM 0 H LYS A 50 0.025 10.816 9.585 1.00 10.00 H new ATOM 0 HA LYS A 50 0.973 13.292 10.944 1.00 10.00 H new ATOM 0 HB2 LYS A 50 -0.886 13.539 12.036 1.00 10.00 H new ATOM 0 HB3 LYS A 50 -1.630 12.247 11.115 1.00 10.00 H new ATOM 0 HG2 LYS A 50 -0.719 10.595 12.811 1.00 10.00 H new ATOM 0 HG3 LYS A 50 -0.140 11.950 13.758 1.00 10.00 H new ATOM 0 HD2 LYS A 50 -2.350 12.708 14.266 1.00 10.00 H new ATOM 0 HD3 LYS A 50 -3.064 11.834 12.925 1.00 10.00 H new ATOM 0 HE2 LYS A 50 -2.526 9.662 14.005 1.00 10.00 H new ATOM 0 HE3 LYS A 50 -1.694 10.486 15.309 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 -3.902 9.823 15.959 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 -3.781 11.517 15.952 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 -4.587 10.718 14.689 1.00 10.00 H new ATOM 769 N GLU A 51 1.320 10.068 11.526 1.00 10.00 N ATOM 770 CA GLU A 51 2.201 9.048 12.063 1.00 10.00 C ATOM 771 C GLU A 51 3.234 8.687 10.991 1.00 10.00 C ATOM 772 O GLU A 51 4.429 8.909 11.162 1.00 10.00 O ATOM 773 CB GLU A 51 1.313 7.862 12.466 1.00 10.00 C ATOM 774 CG GLU A 51 2.041 6.794 13.285 1.00 10.00 C ATOM 775 CD GLU A 51 2.801 5.804 12.406 1.00 10.00 C ATOM 776 OE1 GLU A 51 2.124 5.115 11.607 1.00 10.00 O ATOM 777 OE2 GLU A 51 4.039 5.753 12.540 1.00 10.00 O ATOM 0 H GLU A 51 0.496 9.686 11.062 1.00 10.00 H new ATOM 0 HA GLU A 51 2.756 9.379 12.940 1.00 10.00 H new ATOM 0 HB2 GLU A 51 0.466 8.234 13.043 1.00 10.00 H new ATOM 0 HB3 GLU A 51 0.907 7.402 11.565 1.00 10.00 H new ATOM 0 HG2 GLU A 51 2.738 7.277 13.969 1.00 10.00 H new ATOM 0 HG3 GLU A 51 1.318 6.253 13.896 1.00 10.00 H new ATOM 784 N ALA A 52 2.735 8.168 9.869 1.00 10.00 N ATOM 785 CA ALA A 52 3.507 7.629 8.763 1.00 10.00 C ATOM 786 C ALA A 52 3.197 8.420 7.499 1.00 10.00 C ATOM 787 O ALA A 52 2.198 9.137 7.441 1.00 10.00 O ATOM 788 CB ALA A 52 3.118 6.170 8.579 1.00 10.00 C ATOM 0 H ALA A 52 1.730 8.112 9.704 1.00 10.00 H new ATOM 0 HA ALA A 52 4.575 7.703 8.967 1.00 10.00 H new ATOM 0 HB1 ALA A 52 3.686 5.743 7.752 1.00 10.00 H new ATOM 0 HB2 ALA A 52 3.336 5.617 9.493 1.00 10.00 H new ATOM 0 HB3 ALA A 52 2.052 6.102 8.360 1.00 10.00 H new ATOM 794 N SER A 53 4.046 8.281 6.483 1.00 10.00 N ATOM 795 CA SER A 53 3.908 8.942 5.204 1.00 10.00 C ATOM 796 C SER A 53 3.754 7.914 4.085 1.00 10.00 C ATOM 797 O SER A 53 3.823 6.700 4.279 1.00 10.00 O ATOM 798 CB SER A 53 5.147 9.820 4.965 1.00 10.00 C ATOM 799 OG SER A 53 6.257 9.028 4.573 1.00 10.00 O ATOM 0 H SER A 53 4.872 7.685 6.537 1.00 10.00 H new ATOM 0 HA SER A 53 3.014 9.566 5.208 1.00 10.00 H new ATOM 0 HB2 SER A 53 4.931 10.559 4.194 1.00 10.00 H new ATOM 0 HB3 SER A 53 5.390 10.370 5.874 1.00 10.00 H new ATOM 0 HG SER A 53 6.228 8.168 5.042 1.00 10.00 H new ATOM 805 N VAL A 54 3.641 8.454 2.875 1.00 10.00 N ATOM 806 CA VAL A 54 3.825 7.755 1.621 1.00 10.00 C ATOM 807 C VAL A 54 5.071 6.861 1.640 1.00 10.00 C ATOM 808 O VAL A 54 5.061 5.754 1.098 1.00 10.00 O ATOM 809 CB VAL A 54 3.906 8.801 0.495 1.00 10.00 C ATOM 810 CG1 VAL A 54 2.670 9.713 0.521 1.00 10.00 C ATOM 811 CG2 VAL A 54 5.156 9.694 0.540 1.00 10.00 C ATOM 0 H VAL A 54 3.407 9.438 2.743 1.00 10.00 H new ATOM 0 HA VAL A 54 2.978 7.090 1.452 1.00 10.00 H new ATOM 0 HB VAL A 54 3.958 8.216 -0.424 1.00 10.00 H new ATOM 0 HG11 VAL A 54 2.743 10.447 -0.281 1.00 10.00 H new ATOM 0 HG12 VAL A 54 1.771 9.112 0.383 1.00 10.00 H new ATOM 0 HG13 VAL A 54 2.618 10.228 1.480 1.00 10.00 H new ATOM 0 HG21 VAL A 54 5.129 10.400 -0.290 1.00 10.00 H new ATOM 0 HG22 VAL A 54 5.178 10.242 1.482 1.00 10.00 H new ATOM 0 HG23 VAL A 54 6.049 9.074 0.460 1.00 10.00 H new ATOM 821 N SER A 55 6.169 7.354 2.223 1.00 10.00 N ATOM 822 CA SER A 55 7.441 6.655 2.155 1.00 10.00 C ATOM 823 C SER A 55 7.402 5.381 2.990 1.00 10.00 C ATOM 824 O SER A 55 7.967 4.376 2.566 1.00 10.00 O ATOM 825 CB SER A 55 8.627 7.535 2.561 1.00 10.00 C ATOM 826 OG SER A 55 9.832 6.907 2.133 1.00 10.00 O ATOM 0 H SER A 55 6.195 8.231 2.743 1.00 10.00 H new ATOM 0 HA SER A 55 7.595 6.388 1.109 1.00 10.00 H new ATOM 0 HB2 SER A 55 8.536 8.523 2.110 1.00 10.00 H new ATOM 0 HB3 SER A 55 8.639 7.678 3.642 1.00 10.00 H new ATOM 0 HG SER A 55 10.198 6.368 2.865 1.00 10.00 H new ATOM 832 N ASP A 56 6.786 5.409 4.168 1.00 10.00 N ATOM 833 CA ASP A 56 6.826 4.301 5.106 1.00 10.00 C ATOM 834 C ASP A 56 6.167 3.081 4.474 1.00 10.00 C ATOM 835 O ASP A 56 6.742 1.997 4.414 1.00 10.00 O ATOM 836 CB ASP A 56 6.118 4.720 6.396 1.00 10.00 C ATOM 837 CG ASP A 56 6.703 6.013 6.940 1.00 10.00 C ATOM 838 OD1 ASP A 56 6.413 7.054 6.302 1.00 10.00 O ATOM 839 OD2 ASP A 56 7.442 5.946 7.940 1.00 10.00 O ATOM 0 H ASP A 56 6.243 6.207 4.497 1.00 10.00 H new ATOM 0 HA ASP A 56 7.855 4.037 5.349 1.00 10.00 H new ATOM 0 HB2 ASP A 56 5.053 4.850 6.205 1.00 10.00 H new ATOM 0 HB3 ASP A 56 6.214 3.931 7.141 1.00 10.00 H new ATOM 844 N LEU A 57 4.959 3.267 3.945 1.00 10.00 N ATOM 845 CA LEU A 57 4.256 2.180 3.278 1.00 10.00 C ATOM 846 C LEU A 57 5.016 1.728 2.017 1.00 10.00 C ATOM 847 O LEU A 57 5.254 0.535 1.836 1.00 10.00 O ATOM 848 CB LEU A 57 2.775 2.529 3.093 1.00 10.00 C ATOM 849 CG LEU A 57 2.515 3.727 2.175 1.00 10.00 C ATOM 850 CD1 LEU A 57 2.367 3.244 0.730 1.00 10.00 C ATOM 851 CD2 LEU A 57 1.270 4.511 2.609 1.00 10.00 C ATOM 0 H LEU A 57 4.453 4.152 3.966 1.00 10.00 H new ATOM 0 HA LEU A 57 4.243 1.290 3.907 1.00 10.00 H new ATOM 0 HB2 LEU A 57 2.257 1.659 2.689 1.00 10.00 H new ATOM 0 HB3 LEU A 57 2.338 2.735 4.070 1.00 10.00 H new ATOM 0 HG LEU A 57 3.367 4.404 2.246 1.00 10.00 H new ATOM 0 HD11 LEU A 57 2.182 4.098 0.078 1.00 10.00 H new ATOM 0 HD12 LEU A 57 3.283 2.741 0.419 1.00 10.00 H new ATOM 0 HD13 LEU A 57 1.531 2.548 0.663 1.00 10.00 H new ATOM 0 HD21 LEU A 57 1.117 5.354 1.935 1.00 10.00 H new ATOM 0 HD22 LEU A 57 0.399 3.857 2.576 1.00 10.00 H new ATOM 0 HD23 LEU A 57 1.408 4.880 3.625 1.00 10.00 H new ATOM 863 N LYS A 58 5.465 2.660 1.166 1.00 10.00 N ATOM 864 CA LYS A 58 6.421 2.379 0.110 1.00 10.00 C ATOM 865 C LYS A 58 7.616 1.535 0.576 1.00 10.00 C ATOM 866 O LYS A 58 7.984 0.598 -0.122 1.00 10.00 O ATOM 867 CB LYS A 58 6.812 3.726 -0.504 1.00 10.00 C ATOM 868 CG LYS A 58 7.718 3.685 -1.731 1.00 10.00 C ATOM 869 CD LYS A 58 9.231 3.589 -1.478 1.00 10.00 C ATOM 870 CE LYS A 58 9.834 4.754 -0.664 1.00 10.00 C ATOM 871 NZ LYS A 58 9.892 4.515 0.797 1.00 10.00 N ATOM 0 H LYS A 58 5.167 3.635 1.199 1.00 10.00 H new ATOM 0 HA LYS A 58 5.967 1.745 -0.652 1.00 10.00 H new ATOM 0 HB2 LYS A 58 5.898 4.255 -0.774 1.00 10.00 H new ATOM 0 HB3 LYS A 58 7.308 4.319 0.265 1.00 10.00 H new ATOM 0 HG2 LYS A 58 7.422 2.833 -2.342 1.00 10.00 H new ATOM 0 HG3 LYS A 58 7.529 4.582 -2.322 1.00 10.00 H new ATOM 0 HD2 LYS A 58 9.438 2.655 -0.955 1.00 10.00 H new ATOM 0 HD3 LYS A 58 9.742 3.535 -2.439 1.00 10.00 H new ATOM 0 HE2 LYS A 58 10.842 4.951 -1.028 1.00 10.00 H new ATOM 0 HE3 LYS A 58 9.246 5.653 -0.850 1.00 10.00 H new ATOM 0 HZ1 LYS A 58 10.114 5.406 1.286 1.00 10.00 H new ATOM 0 HZ2 LYS A 58 8.972 4.159 1.127 1.00 10.00 H new ATOM 0 HZ3 LYS A 58 10.630 3.813 1.005 1.00 10.00 H new ATOM 885 N GLU A 59 8.241 1.846 1.718 1.00 10.00 N ATOM 886 CA GLU A 59 9.335 1.071 2.266 1.00 10.00 C ATOM 887 C GLU A 59 8.845 -0.331 2.598 1.00 10.00 C ATOM 888 O GLU A 59 9.468 -1.307 2.200 1.00 10.00 O ATOM 889 CB GLU A 59 9.857 1.794 3.509 1.00 10.00 C ATOM 890 CG GLU A 59 11.207 1.268 3.995 1.00 10.00 C ATOM 891 CD GLU A 59 11.156 -0.078 4.728 1.00 10.00 C ATOM 892 OE1 GLU A 59 10.116 -0.349 5.370 1.00 10.00 O ATOM 893 OE2 GLU A 59 12.167 -0.809 4.653 1.00 10.00 O ATOM 0 H GLU A 59 7.990 2.655 2.286 1.00 10.00 H new ATOM 0 HA GLU A 59 10.148 0.976 1.546 1.00 10.00 H new ATOM 0 HB2 GLU A 59 9.947 2.858 3.290 1.00 10.00 H new ATOM 0 HB3 GLU A 59 9.126 1.695 4.312 1.00 10.00 H new ATOM 0 HG2 GLU A 59 11.872 1.172 3.137 1.00 10.00 H new ATOM 0 HG3 GLU A 59 11.650 2.009 4.660 1.00 10.00 H new ATOM 900 N ALA A 60 7.705 -0.431 3.285 1.00 10.00 N ATOM 901 CA ALA A 60 7.137 -1.717 3.658 1.00 10.00 C ATOM 902 C ALA A 60 7.011 -2.606 2.417 1.00 10.00 C ATOM 903 O ALA A 60 7.427 -3.767 2.414 1.00 10.00 O ATOM 904 CB ALA A 60 5.792 -1.503 4.362 1.00 10.00 C ATOM 0 H ALA A 60 7.158 0.373 3.594 1.00 10.00 H new ATOM 0 HA ALA A 60 7.795 -2.229 4.360 1.00 10.00 H new ATOM 0 HB1 ALA A 60 5.369 -2.468 4.640 1.00 10.00 H new ATOM 0 HB2 ALA A 60 5.942 -0.901 5.258 1.00 10.00 H new ATOM 0 HB3 ALA A 60 5.107 -0.987 3.689 1.00 10.00 H new ATOM 910 N VAL A 61 6.464 -2.044 1.339 1.00 10.00 N ATOM 911 CA VAL A 61 6.369 -2.744 0.069 1.00 10.00 C ATOM 912 C VAL A 61 7.746 -3.024 -0.561 1.00 10.00 C ATOM 913 O VAL A 61 7.998 -4.144 -0.997 1.00 10.00 O ATOM 914 CB VAL A 61 5.373 -2.035 -0.857 1.00 10.00 C ATOM 915 CG1 VAL A 61 5.314 -2.784 -2.191 1.00 10.00 C ATOM 916 CG2 VAL A 61 3.977 -2.058 -0.213 1.00 10.00 C ATOM 0 H VAL A 61 6.079 -1.099 1.326 1.00 10.00 H new ATOM 0 HA VAL A 61 5.964 -3.740 0.251 1.00 10.00 H new ATOM 0 HB VAL A 61 5.690 -1.005 -1.018 1.00 10.00 H new ATOM 0 HG11 VAL A 61 4.608 -2.287 -2.856 1.00 10.00 H new ATOM 0 HG12 VAL A 61 6.303 -2.789 -2.650 1.00 10.00 H new ATOM 0 HG13 VAL A 61 4.989 -3.810 -2.018 1.00 10.00 H new ATOM 0 HG21 VAL A 61 3.266 -1.555 -0.868 1.00 10.00 H new ATOM 0 HG22 VAL A 61 3.663 -3.091 -0.062 1.00 10.00 H new ATOM 0 HG23 VAL A 61 4.011 -1.545 0.748 1.00 10.00 H new ATOM 926 N ASP A 62 8.669 -2.060 -0.571 1.00 10.00 N ATOM 927 CA ASP A 62 10.021 -2.312 -1.066 1.00 10.00 C ATOM 928 C ASP A 62 10.639 -3.503 -0.325 1.00 10.00 C ATOM 929 O ASP A 62 11.251 -4.380 -0.930 1.00 10.00 O ATOM 930 CB ASP A 62 10.889 -1.057 -0.945 1.00 10.00 C ATOM 931 CG ASP A 62 12.217 -1.265 -1.662 1.00 10.00 C ATOM 932 OD1 ASP A 62 12.235 -1.057 -2.897 1.00 10.00 O ATOM 933 OD2 ASP A 62 13.189 -1.626 -0.968 1.00 10.00 O ATOM 0 H ASP A 62 8.506 -1.107 -0.245 1.00 10.00 H new ATOM 0 HA ASP A 62 9.968 -2.565 -2.125 1.00 10.00 H new ATOM 0 HB2 ASP A 62 10.366 -0.202 -1.373 1.00 10.00 H new ATOM 0 HB3 ASP A 62 11.067 -0.829 0.106 1.00 10.00 H new ATOM 938 N LYS A 63 10.391 -3.583 0.984 1.00 10.00 N ATOM 939 CA LYS A 63 10.906 -4.601 1.875 1.00 10.00 C ATOM 940 C LYS A 63 10.246 -5.951 1.597 1.00 10.00 C ATOM 941 O LYS A 63 10.921 -6.978 1.644 1.00 10.00 O ATOM 942 CB LYS A 63 10.715 -4.141 3.329 1.00 10.00 C ATOM 943 CG LYS A 63 11.542 -4.961 4.325 1.00 10.00 C ATOM 944 CD LYS A 63 13.019 -4.539 4.296 1.00 10.00 C ATOM 945 CE LYS A 63 13.874 -5.514 5.115 1.00 10.00 C ATOM 946 NZ LYS A 63 15.304 -5.148 5.073 1.00 10.00 N ATOM 0 H LYS A 63 9.798 -2.906 1.464 1.00 10.00 H new ATOM 0 HA LYS A 63 11.973 -4.740 1.701 1.00 10.00 H new ATOM 0 HB2 LYS A 63 10.992 -3.090 3.412 1.00 10.00 H new ATOM 0 HB3 LYS A 63 9.660 -4.214 3.593 1.00 10.00 H new ATOM 0 HG2 LYS A 63 11.142 -4.829 5.330 1.00 10.00 H new ATOM 0 HG3 LYS A 63 11.459 -6.021 4.086 1.00 10.00 H new ATOM 0 HD2 LYS A 63 13.375 -4.511 3.266 1.00 10.00 H new ATOM 0 HD3 LYS A 63 13.123 -3.531 4.697 1.00 10.00 H new ATOM 0 HE2 LYS A 63 13.530 -5.521 6.149 1.00 10.00 H new ATOM 0 HE3 LYS A 63 13.745 -6.525 4.729 1.00 10.00 H new ATOM 0 HZ1 LYS A 63 15.853 -5.828 5.637 1.00 10.00 H new ATOM 0 HZ2 LYS A 63 15.638 -5.165 4.088 1.00 10.00 H new ATOM 0 HZ3 LYS A 63 15.429 -4.193 5.464 1.00 10.00 H new ATOM 960 N LEU A 64 8.944 -5.973 1.281 1.00 10.00 N ATOM 961 CA LEU A 64 8.323 -7.134 0.664 1.00 10.00 C ATOM 962 C LEU A 64 9.090 -7.621 -0.581 1.00 10.00 C ATOM 963 O LEU A 64 9.010 -8.806 -0.900 1.00 10.00 O ATOM 964 CB LEU A 64 6.865 -6.813 0.318 1.00 10.00 C ATOM 965 CG LEU A 64 5.886 -6.964 1.480 1.00 10.00 C ATOM 966 CD1 LEU A 64 4.637 -6.108 1.242 1.00 10.00 C ATOM 967 CD2 LEU A 64 5.476 -8.431 1.591 1.00 10.00 C ATOM 0 H LEU A 64 8.306 -5.194 1.446 1.00 10.00 H new ATOM 0 HA LEU A 64 8.355 -7.952 1.384 1.00 10.00 H new ATOM 0 HB2 LEU A 64 6.811 -5.790 -0.054 1.00 10.00 H new ATOM 0 HB3 LEU A 64 6.546 -7.466 -0.495 1.00 10.00 H new ATOM 0 HG LEU A 64 6.368 -6.633 2.400 1.00 10.00 H new ATOM 0 HD11 LEU A 64 3.949 -6.227 2.079 1.00 10.00 H new ATOM 0 HD12 LEU A 64 4.925 -5.060 1.155 1.00 10.00 H new ATOM 0 HD13 LEU A 64 4.147 -6.427 0.322 1.00 10.00 H new ATOM 0 HD21 LEU A 64 4.776 -8.552 2.418 1.00 10.00 H new ATOM 0 HD22 LEU A 64 4.999 -8.747 0.663 1.00 10.00 H new ATOM 0 HD23 LEU A 64 6.360 -9.043 1.771 1.00 10.00 H new ATOM 979 N GLY A 65 9.831 -6.743 -1.272 1.00 10.00 N ATOM 980 CA GLY A 65 10.832 -7.120 -2.270 1.00 10.00 C ATOM 981 C GLY A 65 10.658 -6.371 -3.592 1.00 10.00 C ATOM 982 O GLY A 65 11.604 -6.233 -4.367 1.00 10.00 O ATOM 0 H GLY A 65 9.747 -5.734 -1.148 1.00 10.00 H new ATOM 0 HA2 GLY A 65 11.828 -6.922 -1.873 1.00 10.00 H new ATOM 0 HA3 GLY A 65 10.770 -8.193 -2.454 1.00 10.00 H new ATOM 986 N TYR A 66 9.433 -5.929 -3.870 1.00 10.00 N ATOM 987 CA TYR A 66 9.013 -5.331 -5.128 1.00 10.00 C ATOM 988 C TYR A 66 8.618 -3.882 -4.865 1.00 10.00 C ATOM 989 O TYR A 66 8.274 -3.533 -3.742 1.00 10.00 O ATOM 990 CB TYR A 66 7.850 -6.137 -5.707 1.00 10.00 C ATOM 991 CG TYR A 66 6.775 -6.496 -4.706 1.00 10.00 C ATOM 992 CD1 TYR A 66 5.698 -5.623 -4.482 1.00 10.00 C ATOM 993 CD2 TYR A 66 6.919 -7.646 -3.911 1.00 10.00 C ATOM 994 CE1 TYR A 66 4.766 -5.910 -3.480 1.00 10.00 C ATOM 995 CE2 TYR A 66 5.999 -7.913 -2.889 1.00 10.00 C ATOM 996 CZ TYR A 66 4.910 -7.052 -2.678 1.00 10.00 C ATOM 997 OH TYR A 66 3.918 -7.404 -1.815 1.00 10.00 O ATOM 0 H TYR A 66 8.674 -5.982 -3.191 1.00 10.00 H new ATOM 0 HA TYR A 66 9.823 -5.344 -5.857 1.00 10.00 H new ATOM 0 HB2 TYR A 66 7.397 -5.566 -6.518 1.00 10.00 H new ATOM 0 HB3 TYR A 66 8.243 -7.055 -6.144 1.00 10.00 H new ATOM 0 HD1 TYR A 66 5.590 -4.732 -5.082 1.00 10.00 H new ATOM 0 HD2 TYR A 66 7.740 -8.325 -4.088 1.00 10.00 H new ATOM 0 HE1 TYR A 66 3.928 -5.247 -3.322 1.00 10.00 H new ATOM 0 HE2 TYR A 66 6.128 -8.783 -2.262 1.00 10.00 H new ATOM 0 HH TYR A 66 3.727 -8.361 -1.909 1.00 10.00 H new ATOM 1007 N LYS A 67 8.701 -3.020 -5.880 1.00 10.00 N ATOM 1008 CA LYS A 67 8.602 -1.588 -5.669 1.00 10.00 C ATOM 1009 C LYS A 67 7.156 -1.103 -5.778 1.00 10.00 C ATOM 1010 O LYS A 67 6.305 -1.725 -6.421 1.00 10.00 O ATOM 1011 CB LYS A 67 9.552 -0.852 -6.628 1.00 10.00 C ATOM 1012 CG LYS A 67 10.893 -0.461 -5.972 1.00 10.00 C ATOM 1013 CD LYS A 67 12.118 -1.152 -6.587 1.00 10.00 C ATOM 1014 CE LYS A 67 12.190 -2.629 -6.173 1.00 10.00 C ATOM 1015 NZ LYS A 67 13.398 -3.295 -6.700 1.00 10.00 N ATOM 0 H LYS A 67 8.836 -3.295 -6.853 1.00 10.00 H new ATOM 0 HA LYS A 67 8.916 -1.357 -4.651 1.00 10.00 H new ATOM 0 HB2 LYS A 67 9.749 -1.486 -7.492 1.00 10.00 H new ATOM 0 HB3 LYS A 67 9.060 0.047 -6.998 1.00 10.00 H new ATOM 0 HG2 LYS A 67 11.022 0.619 -6.049 1.00 10.00 H new ATOM 0 HG3 LYS A 67 10.849 -0.701 -4.910 1.00 10.00 H new ATOM 0 HD2 LYS A 67 12.073 -1.078 -7.674 1.00 10.00 H new ATOM 0 HD3 LYS A 67 13.026 -0.638 -6.270 1.00 10.00 H new ATOM 0 HE2 LYS A 67 12.182 -2.701 -5.085 1.00 10.00 H new ATOM 0 HE3 LYS A 67 11.303 -3.150 -6.533 1.00 10.00 H new ATOM 0 HZ1 LYS A 67 13.406 -4.290 -6.397 1.00 10.00 H new ATOM 0 HZ2 LYS A 67 13.394 -3.250 -7.739 1.00 10.00 H new ATOM 0 HZ3 LYS A 67 14.246 -2.815 -6.336 1.00 10.00 H new ATOM 1029 N LEU A 68 6.916 0.037 -5.124 1.00 10.00 N ATOM 1030 CA LEU A 68 5.647 0.728 -5.011 1.00 10.00 C ATOM 1031 C LEU A 68 5.911 2.195 -5.322 1.00 10.00 C ATOM 1032 O LEU A 68 6.964 2.710 -4.939 1.00 10.00 O ATOM 1033 CB LEU A 68 5.179 0.632 -3.553 1.00 10.00 C ATOM 1034 CG LEU A 68 3.757 1.153 -3.335 1.00 10.00 C ATOM 1035 CD1 LEU A 68 2.766 0.043 -3.652 1.00 10.00 C ATOM 1036 CD2 LEU A 68 3.516 1.628 -1.906 1.00 10.00 C ATOM 0 H LEU A 68 7.660 0.528 -4.629 1.00 10.00 H new ATOM 0 HA LEU A 68 4.900 0.302 -5.681 1.00 10.00 H new ATOM 0 HB2 LEU A 68 5.230 -0.408 -3.231 1.00 10.00 H new ATOM 0 HB3 LEU A 68 5.865 1.196 -2.921 1.00 10.00 H new ATOM 0 HG LEU A 68 3.622 2.009 -3.996 1.00 10.00 H new ATOM 0 HD11 LEU A 68 1.750 0.407 -3.499 1.00 10.00 H new ATOM 0 HD12 LEU A 68 2.887 -0.268 -4.690 1.00 10.00 H new ATOM 0 HD13 LEU A 68 2.949 -0.807 -2.995 1.00 10.00 H new ATOM 0 HD21 LEU A 68 2.491 1.987 -1.810 1.00 10.00 H new ATOM 0 HD22 LEU A 68 3.677 0.800 -1.215 1.00 10.00 H new ATOM 0 HD23 LEU A 68 4.207 2.437 -1.670 1.00 10.00 H new ATOM 1048 N LYS A 69 4.947 2.884 -5.932 1.00 10.00 N ATOM 1049 CA LYS A 69 4.923 4.326 -5.983 1.00 10.00 C ATOM 1050 C LYS A 69 3.495 4.838 -5.952 1.00 10.00 C ATOM 1051 O LYS A 69 2.625 4.265 -6.600 1.00 10.00 O ATOM 1052 CB LYS A 69 5.637 4.820 -7.247 1.00 10.00 C ATOM 1053 CG LYS A 69 7.138 5.046 -7.042 1.00 10.00 C ATOM 1054 CD LYS A 69 7.355 5.908 -5.789 1.00 10.00 C ATOM 1055 CE LYS A 69 8.620 6.773 -5.872 1.00 10.00 C ATOM 1056 NZ LYS A 69 8.483 7.869 -6.858 1.00 10.00 N ATOM 0 H LYS A 69 4.159 2.443 -6.406 1.00 10.00 H new ATOM 0 HA LYS A 69 5.445 4.713 -5.108 1.00 10.00 H new ATOM 0 HB2 LYS A 69 5.491 4.093 -8.046 1.00 10.00 H new ATOM 0 HB3 LYS A 69 5.177 5.752 -7.576 1.00 10.00 H new ATOM 0 HG2 LYS A 69 7.650 4.090 -6.933 1.00 10.00 H new ATOM 0 HG3 LYS A 69 7.566 5.539 -7.915 1.00 10.00 H new ATOM 0 HD2 LYS A 69 6.489 6.553 -5.643 1.00 10.00 H new ATOM 0 HD3 LYS A 69 7.421 5.260 -4.915 1.00 10.00 H new ATOM 0 HE2 LYS A 69 8.835 7.194 -4.890 1.00 10.00 H new ATOM 0 HE3 LYS A 69 9.470 6.146 -6.143 1.00 10.00 H new ATOM 0 HZ1 LYS A 69 9.247 8.560 -6.717 1.00 10.00 H new ATOM 0 HZ2 LYS A 69 8.541 7.479 -7.820 1.00 10.00 H new ATOM 0 HZ3 LYS A 69 7.564 8.339 -6.730 1.00 10.00 H new ATOM 1070 N LEU A 70 3.283 5.924 -5.199 1.00 10.00 N ATOM 1071 CA LEU A 70 2.018 6.637 -5.155 1.00 10.00 C ATOM 1072 C LEU A 70 1.743 7.264 -6.517 1.00 10.00 C ATOM 1073 O LEU A 70 2.659 7.513 -7.302 1.00 10.00 O ATOM 1074 CB LEU A 70 2.070 7.718 -4.070 1.00 10.00 C ATOM 1075 CG LEU A 70 0.735 8.102 -3.403 1.00 10.00 C ATOM 1076 CD1 LEU A 70 1.060 8.844 -2.108 1.00 10.00 C ATOM 1077 CD2 LEU A 70 -0.122 9.042 -4.252 1.00 10.00 C ATOM 0 H LEU A 70 4.000 6.331 -4.598 1.00 10.00 H new ATOM 0 HA LEU A 70 1.213 5.942 -4.915 1.00 10.00 H new ATOM 0 HB2 LEU A 70 2.755 7.383 -3.291 1.00 10.00 H new ATOM 0 HB3 LEU A 70 2.501 8.618 -4.508 1.00 10.00 H new ATOM 0 HG LEU A 70 0.173 7.180 -3.251 1.00 10.00 H new ATOM 0 HD11 LEU A 70 0.133 9.130 -1.610 1.00 10.00 H new ATOM 0 HD12 LEU A 70 1.638 8.194 -1.452 1.00 10.00 H new ATOM 0 HD13 LEU A 70 1.640 9.738 -2.337 1.00 10.00 H new ATOM 0 HD21 LEU A 70 -1.046 9.270 -3.721 1.00 10.00 H new ATOM 0 HD22 LEU A 70 0.427 9.965 -4.439 1.00 10.00 H new ATOM 0 HD23 LEU A 70 -0.358 8.561 -5.201 1.00 10.00 H new ATOM 1089 N LYS A 71 0.468 7.518 -6.763 1.00 10.00 N ATOM 1090 CA LYS A 71 -0.112 7.959 -8.002 1.00 10.00 C ATOM 1091 C LYS A 71 -0.948 9.206 -7.740 1.00 10.00 C ATOM 1092 O LYS A 71 -0.622 10.294 -8.207 1.00 10.00 O ATOM 1093 CB LYS A 71 -0.972 6.785 -8.455 1.00 10.00 C ATOM 1094 CG LYS A 71 -1.708 7.084 -9.749 1.00 10.00 C ATOM 1095 CD LYS A 71 -1.864 5.724 -10.423 1.00 10.00 C ATOM 1096 CE LYS A 71 -2.507 5.687 -11.806 1.00 10.00 C ATOM 1097 NZ LYS A 71 -2.327 4.326 -12.354 1.00 10.00 N ATOM 0 H LYS A 71 -0.238 7.409 -6.035 1.00 10.00 H new ATOM 0 HA LYS A 71 0.621 8.226 -8.763 1.00 10.00 H new ATOM 0 HB2 LYS A 71 -0.342 5.906 -8.591 1.00 10.00 H new ATOM 0 HB3 LYS A 71 -1.694 6.542 -7.675 1.00 10.00 H new ATOM 0 HG2 LYS A 71 -2.677 7.545 -9.557 1.00 10.00 H new ATOM 0 HG3 LYS A 71 -1.144 7.775 -10.376 1.00 10.00 H new ATOM 0 HD2 LYS A 71 -0.875 5.273 -10.501 1.00 10.00 H new ATOM 0 HD3 LYS A 71 -2.453 5.088 -9.762 1.00 10.00 H new ATOM 0 HE2 LYS A 71 -3.566 5.935 -11.741 1.00 10.00 H new ATOM 0 HE3 LYS A 71 -2.046 6.426 -12.461 1.00 10.00 H new ATOM 0 HZ1 LYS A 71 -2.974 4.187 -13.157 1.00 10.00 H new ATOM 0 HZ2 LYS A 71 -1.345 4.208 -12.676 1.00 10.00 H new ATOM 0 HZ3 LYS A 71 -2.536 3.624 -11.616 1.00 10.00 H new ATOM 1111 N GLY A 72 -2.026 9.029 -6.978 1.00 10.00 N ATOM 1112 CA GLY A 72 -2.890 10.102 -6.536 1.00 10.00 C ATOM 1113 C GLY A 72 -3.802 9.552 -5.449 1.00 10.00 C ATOM 1114 O GLY A 72 -3.461 9.619 -4.272 1.00 10.00 O ATOM 0 H GLY A 72 -2.323 8.111 -6.648 1.00 10.00 H new ATOM 0 HA2 GLY A 72 -2.299 10.934 -6.153 1.00 10.00 H new ATOM 0 HA3 GLY A 72 -3.478 10.486 -7.369 1.00 10.00 H new ATOM 1118 N GLU A 73 -4.927 8.961 -5.849 1.00 10.00 N ATOM 1119 CA GLU A 73 -6.025 8.601 -4.968 1.00 10.00 C ATOM 1120 C GLU A 73 -7.038 7.792 -5.776 1.00 10.00 C ATOM 1121 O GLU A 73 -6.978 7.767 -7.006 1.00 10.00 O ATOM 1122 CB GLU A 73 -6.678 9.864 -4.378 1.00 10.00 C ATOM 1123 CG GLU A 73 -7.194 10.804 -5.477 1.00 10.00 C ATOM 1124 CD GLU A 73 -7.913 12.031 -4.936 1.00 10.00 C ATOM 1125 OE1 GLU A 73 -8.345 11.985 -3.765 1.00 10.00 O ATOM 1126 OE2 GLU A 73 -8.036 12.988 -5.731 1.00 10.00 O ATOM 0 H GLU A 73 -5.100 8.715 -6.824 1.00 10.00 H new ATOM 0 HA GLU A 73 -5.657 8.004 -4.134 1.00 10.00 H new ATOM 0 HB2 GLU A 73 -7.504 9.576 -3.728 1.00 10.00 H new ATOM 0 HB3 GLU A 73 -5.954 10.392 -3.758 1.00 10.00 H new ATOM 0 HG2 GLU A 73 -6.354 11.126 -6.092 1.00 10.00 H new ATOM 0 HG3 GLU A 73 -7.873 10.252 -6.127 1.00 10.00 H new ATOM 1133 N GLN A 74 -7.974 7.153 -5.074 1.00 10.00 N ATOM 1134 CA GLN A 74 -9.007 6.327 -5.676 1.00 10.00 C ATOM 1135 C GLN A 74 -10.107 7.192 -6.287 1.00 10.00 C ATOM 1136 O GLN A 74 -11.046 7.583 -5.591 1.00 10.00 O ATOM 1137 CB GLN A 74 -9.562 5.330 -4.655 1.00 10.00 C ATOM 1138 CG GLN A 74 -9.930 5.976 -3.313 1.00 10.00 C ATOM 1139 CD GLN A 74 -11.333 5.591 -2.874 1.00 10.00 C ATOM 1140 OE1 GLN A 74 -11.506 4.768 -1.977 1.00 10.00 O ATOM 1141 NE2 GLN A 74 -12.332 6.197 -3.503 1.00 10.00 N ATOM 0 H GLN A 74 -8.032 7.199 -4.057 1.00 10.00 H new ATOM 0 HA GLN A 74 -8.564 5.750 -6.488 1.00 10.00 H new ATOM 0 HB2 GLN A 74 -10.446 4.847 -5.072 1.00 10.00 H new ATOM 0 HB3 GLN A 74 -8.823 4.548 -4.483 1.00 10.00 H new ATOM 0 HG2 GLN A 74 -9.213 5.669 -2.552 1.00 10.00 H new ATOM 0 HG3 GLN A 74 -9.859 7.060 -3.399 1.00 10.00 H new ATOM 0 HE21 GLN A 74 -12.135 6.873 -4.241 1.00 10.00 H new ATOM 0 HE22 GLN A 74 -13.297 5.987 -3.248 1.00 10.00 H new ATOM 1150 N ASP A 75 -9.981 7.432 -7.593 1.00 10.00 N ATOM 1151 CA ASP A 75 -10.954 8.121 -8.441 1.00 10.00 C ATOM 1152 C ASP A 75 -10.985 9.620 -8.110 1.00 10.00 C ATOM 1153 O ASP A 75 -11.889 10.132 -7.449 1.00 10.00 O ATOM 1154 CB ASP A 75 -12.333 7.442 -8.389 1.00 10.00 C ATOM 1155 CG ASP A 75 -13.283 7.971 -9.454 1.00 10.00 C ATOM 1156 OD1 ASP A 75 -12.835 8.789 -10.285 1.00 10.00 O ATOM 1157 OD2 ASP A 75 -14.446 7.515 -9.439 1.00 10.00 O ATOM 0 H ASP A 75 -9.156 7.136 -8.114 1.00 10.00 H new ATOM 0 HA ASP A 75 -10.638 8.041 -9.481 1.00 10.00 H new ATOM 0 HB2 ASP A 75 -12.210 6.367 -8.518 1.00 10.00 H new ATOM 0 HB3 ASP A 75 -12.774 7.597 -7.404 1.00 10.00 H new ATOM 1162 N SER A 76 -9.937 10.322 -8.551 1.00 10.00 N ATOM 1163 CA SER A 76 -9.711 11.730 -8.276 1.00 10.00 C ATOM 1164 C SER A 76 -10.694 12.596 -9.064 1.00 10.00 C ATOM 1165 O SER A 76 -10.404 12.969 -10.204 1.00 10.00 O ATOM 1166 CB SER A 76 -8.267 12.054 -8.673 1.00 10.00 C ATOM 1167 OG SER A 76 -8.042 11.600 -9.996 1.00 10.00 O ATOM 0 H SER A 76 -9.204 9.906 -9.126 1.00 10.00 H new ATOM 0 HA SER A 76 -9.869 11.940 -7.218 1.00 10.00 H new ATOM 0 HB2 SER A 76 -8.090 13.128 -8.608 1.00 10.00 H new ATOM 0 HB3 SER A 76 -7.570 11.574 -7.986 1.00 10.00 H new ATOM 0 HG SER A 76 -8.783 11.886 -10.570 1.00 10.00 H new ATOM 1173 N ILE A 77 -11.836 12.938 -8.469 1.00 10.00 N ATOM 1174 CA ILE A 77 -12.832 13.790 -9.106 1.00 10.00 C ATOM 1175 C ILE A 77 -12.400 15.263 -9.184 1.00 10.00 C ATOM 1176 O ILE A 77 -12.972 16.144 -8.542 1.00 10.00 O ATOM 1177 CB ILE A 77 -14.206 13.635 -8.449 1.00 10.00 C ATOM 1178 CG1 ILE A 77 -14.171 13.836 -6.921 1.00 10.00 C ATOM 1179 CG2 ILE A 77 -14.822 12.275 -8.803 1.00 10.00 C ATOM 1180 CD1 ILE A 77 -15.532 14.282 -6.379 1.00 10.00 C ATOM 0 H ILE A 77 -12.094 12.631 -7.531 1.00 10.00 H new ATOM 0 HA ILE A 77 -12.917 13.446 -10.137 1.00 10.00 H new ATOM 0 HB ILE A 77 -14.835 14.429 -8.851 1.00 10.00 H new ATOM 0 HG12 ILE A 77 -13.874 12.905 -6.438 1.00 10.00 H new ATOM 0 HG13 ILE A 77 -13.417 14.581 -6.669 1.00 10.00 H new ATOM 0 HG21 ILE A 77 -15.798 12.183 -8.327 1.00 10.00 H new ATOM 0 HG22 ILE A 77 -14.937 12.198 -9.884 1.00 10.00 H new ATOM 0 HG23 ILE A 77 -14.169 11.477 -8.449 1.00 10.00 H new ATOM 0 HD11 ILE A 77 -15.468 14.413 -5.299 1.00 10.00 H new ATOM 0 HD12 ILE A 77 -15.817 15.226 -6.843 1.00 10.00 H new ATOM 0 HD13 ILE A 77 -16.281 13.524 -6.609 1.00 10.00 H new ATOM 1192 N GLU A 78 -11.434 15.532 -10.055 1.00 10.00 N ATOM 1193 CA GLU A 78 -11.102 16.871 -10.525 1.00 10.00 C ATOM 1194 C GLU A 78 -12.366 17.494 -11.128 1.00 10.00 C ATOM 1195 O GLU A 78 -12.868 16.996 -12.136 1.00 10.00 O ATOM 1196 CB GLU A 78 -9.990 16.772 -11.583 1.00 10.00 C ATOM 1197 CG GLU A 78 -8.606 16.534 -10.958 1.00 10.00 C ATOM 1198 CD GLU A 78 -7.928 17.828 -10.513 1.00 10.00 C ATOM 1199 OE1 GLU A 78 -8.652 18.833 -10.339 1.00 10.00 O ATOM 1200 OE2 GLU A 78 -6.685 17.794 -10.382 1.00 10.00 O ATOM 0 H GLU A 78 -10.845 14.806 -10.464 1.00 10.00 H new ATOM 0 HA GLU A 78 -10.746 17.494 -9.705 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -10.219 15.959 -12.272 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -9.968 17.690 -12.170 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -8.709 15.869 -10.100 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -7.968 16.025 -11.681 1.00 10.00 H new ATOM 1207 N GLY A 79 -12.908 18.549 -10.515 1.00 10.00 N ATOM 1208 CA GLY A 79 -14.175 19.120 -10.958 1.00 10.00 C ATOM 1209 C GLY A 79 -14.579 20.359 -10.160 1.00 10.00 C ATOM 1210 O GLY A 79 -15.060 21.333 -10.736 1.00 10.00 O ATOM 0 H GLY A 79 -12.489 19.021 -9.714 1.00 10.00 H new ATOM 0 HA2 GLY A 79 -14.101 19.382 -12.013 1.00 10.00 H new ATOM 0 HA3 GLY A 79 -14.958 18.366 -10.871 1.00 10.00 H new ATOM 1214 N ARG A 80 -14.392 20.324 -8.841 1.00 10.00 N ATOM 1215 CA ARG A 80 -14.409 21.481 -7.966 1.00 10.00 C ATOM 1216 C ARG A 80 -13.268 21.254 -6.982 1.00 10.00 C ATOM 1217 O ARG A 80 -12.948 22.210 -6.245 1.00 10.00 O ATOM 1218 CB ARG A 80 -15.730 21.585 -7.194 1.00 10.00 C ATOM 1219 CG ARG A 80 -16.930 21.920 -8.088 1.00 10.00 C ATOM 1220 CD ARG A 80 -18.083 22.471 -7.237 1.00 10.00 C ATOM 1221 NE ARG A 80 -18.478 21.537 -6.168 1.00 10.00 N ATOM 1222 CZ ARG A 80 -19.470 20.635 -6.231 1.00 10.00 C ATOM 1223 NH1 ARG A 80 -20.140 20.454 -7.375 1.00 10.00 N ATOM 1224 NH2 ARG A 80 -19.792 19.917 -5.148 1.00 10.00 N ATOM 1225 OXT ARG A 80 -12.771 20.104 -6.978 1.00 10.00 O ATOM 0 H ARG A 80 -14.218 19.453 -8.340 1.00 10.00 H new ATOM 0 HA ARG A 80 -14.303 22.402 -8.539 1.00 10.00 H new ATOM 0 HB2 ARG A 80 -15.919 20.641 -6.682 1.00 10.00 H new ATOM 0 HB3 ARG A 80 -15.634 22.351 -6.425 1.00 10.00 H new ATOM 0 HG2 ARG A 80 -16.640 22.654 -8.840 1.00 10.00 H new ATOM 0 HG3 ARG A 80 -17.256 21.028 -8.622 1.00 10.00 H new ATOM 0 HD2 ARG A 80 -17.785 23.422 -6.795 1.00 10.00 H new ATOM 0 HD3 ARG A 80 -18.942 22.672 -7.877 1.00 10.00 H new ATOM 0 HE ARG A 80 -17.947 21.580 -5.298 1.00 10.00 H new ATOM 0 HH11 ARG A 80 -19.897 21.002 -8.200 1.00 10.00 H new ATOM 0 HH12 ARG A 80 -20.894 19.768 -7.422 1.00 10.00 H new ATOM 0 HH21 ARG A 80 -19.283 20.055 -4.275 1.00 10.00 H new ATOM 0 HH22 ARG A 80 -20.546 19.232 -5.196 1.00 10.00 H new TER 1239 ARG A 80