USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 559 hydrogens (19 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 NoAdj-H: B 9 M3L H2 : B 9 M3L N : B 8 ARG C :(H bumps) USER MOD Set 1.1: A 39 ASN : amide:sc= -0.2 K(o=0.24,f=-2.7!) USER MOD Set 1.2: B 10 SER OG : rot 65:sc= 0.435 USER MOD Single : A 1 GLY N :NH3+ -135:sc= 0.979 (180deg=0.0547) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ -175:sc= 0.533 (180deg=0.517) USER MOD Single : A 20 TYR OH : rot 80:sc= 0.0613 USER MOD Single : A 23 LYS NZ :NH3+ -165:sc= 0.0135 (180deg=0.00446) USER MOD Single : A 25 LYS NZ :NH3+ -153:sc= 0.352 (180deg=0.0154) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.00404 USER MOD Single : A 32 ASN : amide:sc= -5.46! C(o=-5.5!,f=-5.1!) USER MOD Single : A 33 THR OG1 : rot 114:sc= 0.912 USER MOD Single : A 42 CYS SG : rot 46:sc= -1.35 USER MOD Single : A 51 ASN : amide:sc= -1.18 K(o=-1.2,f=-2.8!) USER MOD Single : A 52 SER OG : rot -28:sc= 0.0732 USER MOD Single : A 53 GLN :FLIP amide:sc= -0.491 F(o=-1,f=-0.49) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 ALA N :NH3+ -113:sc= 0.0617 (180deg=0) USER MOD Single : B 3 THR OG1 : rot 42:sc= 0.0335 USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 5 GLN : amide:sc= -0.435 X(o=-0.43,f=-0.14) USER MOD Single : B 6 THR OG1 : rot 180:sc= 0 USER MOD Single : B 11 THR OG1 : rot 34:sc= 0.511 USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.257 0.757 1.593 1.00 0.00 N ATOM 2 CA GLY A 1 3.513 2.025 0.878 1.00 0.00 C ATOM 3 C GLY A 1 4.941 2.103 0.360 1.00 0.00 C ATOM 4 O GLY A 1 5.764 2.874 0.872 1.00 0.00 O ATOM 0 H1 GLY A 1 2.344 0.364 1.286 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.016 0.079 1.379 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.230 0.935 2.617 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.818 2.118 0.043 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.323 2.864 1.547 1.00 0.00 H new ATOM 10 N GLU A 2 5.243 1.264 -0.650 1.00 0.00 N ATOM 11 CA GLU A 2 6.546 1.231 -1.318 1.00 0.00 C ATOM 12 C GLU A 2 6.507 2.201 -2.500 1.00 0.00 C ATOM 13 O GLU A 2 6.022 1.861 -3.589 1.00 0.00 O ATOM 14 CB GLU A 2 6.908 -0.210 -1.791 1.00 0.00 C ATOM 15 CG GLU A 2 7.064 -1.260 -0.671 1.00 0.00 C ATOM 16 CD GLU A 2 5.739 -1.691 -0.026 1.00 0.00 C ATOM 17 OE1 GLU A 2 5.050 -2.558 -0.595 1.00 0.00 O ATOM 18 OE2 GLU A 2 5.363 -1.151 1.035 1.00 0.00 O ATOM 0 H GLU A 2 4.579 0.586 -1.024 1.00 0.00 H new ATOM 0 HA GLU A 2 7.321 1.535 -0.614 1.00 0.00 H new ATOM 0 HB2 GLU A 2 6.135 -0.552 -2.480 1.00 0.00 H new ATOM 0 HB3 GLU A 2 7.840 -0.165 -2.354 1.00 0.00 H new ATOM 0 HG2 GLU A 2 7.560 -2.140 -1.080 1.00 0.00 H new ATOM 0 HG3 GLU A 2 7.718 -0.856 0.102 1.00 0.00 H new ATOM 25 N PHE A 3 6.966 3.430 -2.255 1.00 0.00 N ATOM 26 CA PHE A 3 6.960 4.500 -3.256 1.00 0.00 C ATOM 27 C PHE A 3 8.309 4.541 -3.983 1.00 0.00 C ATOM 28 O PHE A 3 9.322 4.045 -3.471 1.00 0.00 O ATOM 29 CB PHE A 3 6.647 5.857 -2.569 1.00 0.00 C ATOM 30 CG PHE A 3 5.317 5.860 -1.813 1.00 0.00 C ATOM 31 CD1 PHE A 3 4.106 5.894 -2.502 1.00 0.00 C ATOM 32 CD2 PHE A 3 5.270 5.801 -0.418 1.00 0.00 C ATOM 33 CE1 PHE A 3 2.901 5.869 -1.829 1.00 0.00 C ATOM 34 CE2 PHE A 3 4.059 5.781 0.257 1.00 0.00 C ATOM 35 CZ PHE A 3 2.875 5.812 -0.451 1.00 0.00 C ATOM 0 H PHE A 3 7.353 3.712 -1.355 1.00 0.00 H new ATOM 0 HA PHE A 3 6.184 4.306 -3.997 1.00 0.00 H new ATOM 0 HB2 PHE A 3 7.452 6.099 -1.875 1.00 0.00 H new ATOM 0 HB3 PHE A 3 6.630 6.643 -3.324 1.00 0.00 H new ATOM 0 HD1 PHE A 3 4.110 5.941 -3.581 1.00 0.00 H new ATOM 0 HD2 PHE A 3 6.192 5.770 0.144 1.00 0.00 H new ATOM 0 HE1 PHE A 3 1.975 5.894 -2.384 1.00 0.00 H new ATOM 0 HE2 PHE A 3 4.042 5.741 1.336 1.00 0.00 H new ATOM 0 HZ PHE A 3 1.930 5.792 0.072 1.00 0.00 H new ATOM 45 N VAL A 4 8.304 5.119 -5.191 1.00 0.00 N ATOM 46 CA VAL A 4 9.521 5.280 -5.995 1.00 0.00 C ATOM 47 C VAL A 4 10.311 6.507 -5.496 1.00 0.00 C ATOM 48 O VAL A 4 9.776 7.618 -5.383 1.00 0.00 O ATOM 49 CB VAL A 4 9.206 5.372 -7.541 1.00 0.00 C ATOM 50 CG1 VAL A 4 8.159 6.474 -7.869 1.00 0.00 C ATOM 51 CG2 VAL A 4 10.516 5.542 -8.374 1.00 0.00 C ATOM 0 H VAL A 4 7.462 5.486 -5.636 1.00 0.00 H new ATOM 0 HA VAL A 4 10.138 4.391 -5.867 1.00 0.00 H new ATOM 0 HB VAL A 4 8.751 4.425 -7.833 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.978 6.496 -8.944 1.00 0.00 H new ATOM 0 HG12 VAL A 4 7.226 6.256 -7.348 1.00 0.00 H new ATOM 0 HG13 VAL A 4 8.538 7.443 -7.545 1.00 0.00 H new ATOM 0 HG21 VAL A 4 10.268 5.602 -9.434 1.00 0.00 H new ATOM 0 HG22 VAL A 4 11.026 6.456 -8.068 1.00 0.00 H new ATOM 0 HG23 VAL A 4 11.170 4.687 -8.203 1.00 0.00 H new ATOM 61 N VAL A 5 11.576 6.266 -5.136 1.00 0.00 N ATOM 62 CA VAL A 5 12.533 7.301 -4.722 1.00 0.00 C ATOM 63 C VAL A 5 13.505 7.588 -5.878 1.00 0.00 C ATOM 64 O VAL A 5 14.008 6.665 -6.525 1.00 0.00 O ATOM 65 CB VAL A 5 13.302 6.887 -3.397 1.00 0.00 C ATOM 66 CG1 VAL A 5 13.804 5.421 -3.442 1.00 0.00 C ATOM 67 CG2 VAL A 5 14.470 7.857 -3.082 1.00 0.00 C ATOM 0 H VAL A 5 11.973 5.326 -5.124 1.00 0.00 H new ATOM 0 HA VAL A 5 11.987 8.215 -4.489 1.00 0.00 H new ATOM 0 HB VAL A 5 12.576 6.960 -2.587 1.00 0.00 H new ATOM 0 HG11 VAL A 5 14.324 5.186 -2.513 1.00 0.00 H new ATOM 0 HG12 VAL A 5 12.954 4.749 -3.563 1.00 0.00 H new ATOM 0 HG13 VAL A 5 14.488 5.296 -4.282 1.00 0.00 H new ATOM 0 HG21 VAL A 5 14.971 7.539 -2.168 1.00 0.00 H new ATOM 0 HG22 VAL A 5 15.182 7.849 -3.907 1.00 0.00 H new ATOM 0 HG23 VAL A 5 14.079 8.866 -2.949 1.00 0.00 H new ATOM 77 N GLU A 6 13.724 8.884 -6.153 1.00 0.00 N ATOM 78 CA GLU A 6 14.676 9.347 -7.174 1.00 0.00 C ATOM 79 C GLU A 6 16.120 9.077 -6.741 1.00 0.00 C ATOM 80 O GLU A 6 16.916 8.529 -7.520 1.00 0.00 O ATOM 81 CB GLU A 6 14.485 10.865 -7.449 1.00 0.00 C ATOM 82 CG GLU A 6 15.375 11.424 -8.579 1.00 0.00 C ATOM 83 CD GLU A 6 15.031 12.870 -8.964 1.00 0.00 C ATOM 84 OE1 GLU A 6 14.083 13.069 -9.762 1.00 0.00 O ATOM 85 OE2 GLU A 6 15.697 13.811 -8.475 1.00 0.00 O ATOM 0 H GLU A 6 13.243 9.643 -5.671 1.00 0.00 H new ATOM 0 HA GLU A 6 14.478 8.791 -8.090 1.00 0.00 H new ATOM 0 HB2 GLU A 6 13.440 11.048 -7.701 1.00 0.00 H new ATOM 0 HB3 GLU A 6 14.693 11.417 -6.532 1.00 0.00 H new ATOM 0 HG2 GLU A 6 16.418 11.377 -8.267 1.00 0.00 H new ATOM 0 HG3 GLU A 6 15.276 10.788 -9.459 1.00 0.00 H new ATOM 92 N LYS A 7 16.449 9.475 -5.492 1.00 0.00 N ATOM 93 CA LYS A 7 17.827 9.409 -4.966 1.00 0.00 C ATOM 94 C LYS A 7 17.861 9.605 -3.447 1.00 0.00 C ATOM 95 O LYS A 7 16.884 10.055 -2.835 1.00 0.00 O ATOM 96 CB LYS A 7 18.712 10.485 -5.648 1.00 0.00 C ATOM 97 CG LYS A 7 18.246 11.941 -5.412 1.00 0.00 C ATOM 98 CD LYS A 7 19.151 12.968 -6.112 1.00 0.00 C ATOM 99 CE LYS A 7 20.609 12.939 -5.613 1.00 0.00 C ATOM 100 NZ LYS A 7 21.457 13.882 -6.375 1.00 0.00 N ATOM 0 H LYS A 7 15.772 9.848 -4.827 1.00 0.00 H new ATOM 0 HA LYS A 7 18.217 8.416 -5.190 1.00 0.00 H new ATOM 0 HB2 LYS A 7 19.734 10.380 -5.285 1.00 0.00 H new ATOM 0 HB3 LYS A 7 18.734 10.293 -6.721 1.00 0.00 H new ATOM 0 HG2 LYS A 7 17.224 12.055 -5.774 1.00 0.00 H new ATOM 0 HG3 LYS A 7 18.230 12.145 -4.341 1.00 0.00 H new ATOM 0 HD2 LYS A 7 19.138 12.780 -7.186 1.00 0.00 H new ATOM 0 HD3 LYS A 7 18.742 13.966 -5.958 1.00 0.00 H new ATOM 0 HE2 LYS A 7 20.638 13.195 -4.554 1.00 0.00 H new ATOM 0 HE3 LYS A 7 21.008 11.929 -5.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 22.432 13.840 -6.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 21.447 13.622 -7.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 21.089 14.848 -6.263 1.00 0.00 H new ATOM 114 N VAL A 8 19.007 9.251 -2.856 1.00 0.00 N ATOM 115 CA VAL A 8 19.355 9.615 -1.483 1.00 0.00 C ATOM 116 C VAL A 8 19.998 11.015 -1.501 1.00 0.00 C ATOM 117 O VAL A 8 20.840 11.314 -2.359 1.00 0.00 O ATOM 118 CB VAL A 8 20.356 8.587 -0.843 1.00 0.00 C ATOM 119 CG1 VAL A 8 20.737 9.011 0.601 1.00 0.00 C ATOM 120 CG2 VAL A 8 19.793 7.135 -0.891 1.00 0.00 C ATOM 0 H VAL A 8 19.725 8.698 -3.324 1.00 0.00 H new ATOM 0 HA VAL A 8 18.447 9.609 -0.879 1.00 0.00 H new ATOM 0 HB VAL A 8 21.269 8.592 -1.439 1.00 0.00 H new ATOM 0 HG11 VAL A 8 21.431 8.284 1.023 1.00 0.00 H new ATOM 0 HG12 VAL A 8 21.210 9.993 0.579 1.00 0.00 H new ATOM 0 HG13 VAL A 8 19.838 9.054 1.216 1.00 0.00 H new ATOM 0 HG21 VAL A 8 20.512 6.451 -0.440 1.00 0.00 H new ATOM 0 HG22 VAL A 8 18.854 7.090 -0.339 1.00 0.00 H new ATOM 0 HG23 VAL A 8 19.619 6.846 -1.928 1.00 0.00 H new ATOM 130 N LEU A 9 19.578 11.856 -0.551 1.00 0.00 N ATOM 131 CA LEU A 9 20.094 13.223 -0.384 1.00 0.00 C ATOM 132 C LEU A 9 21.123 13.264 0.754 1.00 0.00 C ATOM 133 O LEU A 9 22.186 13.885 0.622 1.00 0.00 O ATOM 134 CB LEU A 9 18.932 14.213 -0.088 1.00 0.00 C ATOM 135 CG LEU A 9 17.856 14.371 -1.207 1.00 0.00 C ATOM 136 CD1 LEU A 9 16.774 15.406 -0.813 1.00 0.00 C ATOM 137 CD2 LEU A 9 18.502 14.720 -2.569 1.00 0.00 C ATOM 0 H LEU A 9 18.863 11.607 0.132 1.00 0.00 H new ATOM 0 HA LEU A 9 20.579 13.525 -1.312 1.00 0.00 H new ATOM 0 HB2 LEU A 9 18.431 13.890 0.825 1.00 0.00 H new ATOM 0 HB3 LEU A 9 19.362 15.194 0.114 1.00 0.00 H new ATOM 0 HG LEU A 9 17.360 13.407 -1.318 1.00 0.00 H new ATOM 0 HD11 LEU A 9 16.041 15.490 -1.616 1.00 0.00 H new ATOM 0 HD12 LEU A 9 16.276 15.082 0.101 1.00 0.00 H new ATOM 0 HD13 LEU A 9 17.242 16.376 -0.646 1.00 0.00 H new ATOM 0 HD21 LEU A 9 17.724 14.823 -3.325 1.00 0.00 H new ATOM 0 HD22 LEU A 9 19.050 15.658 -2.482 1.00 0.00 H new ATOM 0 HD23 LEU A 9 19.188 13.925 -2.860 1.00 0.00 H new ATOM 149 N ASP A 10 20.801 12.586 1.873 1.00 0.00 N ATOM 150 CA ASP A 10 21.587 12.686 3.111 1.00 0.00 C ATOM 151 C ASP A 10 21.526 11.363 3.891 1.00 0.00 C ATOM 152 O ASP A 10 20.682 10.507 3.607 1.00 0.00 O ATOM 153 CB ASP A 10 21.074 13.877 3.964 1.00 0.00 C ATOM 154 CG ASP A 10 22.077 14.307 5.042 1.00 0.00 C ATOM 155 OD1 ASP A 10 23.058 14.990 4.700 1.00 0.00 O ATOM 156 OD2 ASP A 10 21.905 13.950 6.223 1.00 0.00 O ATOM 0 H ASP A 10 19.998 11.961 1.941 1.00 0.00 H new ATOM 0 HA ASP A 10 22.632 12.872 2.863 1.00 0.00 H new ATOM 0 HB2 ASP A 10 20.864 14.723 3.310 1.00 0.00 H new ATOM 0 HB3 ASP A 10 20.133 13.600 4.439 1.00 0.00 H new ATOM 161 N ARG A 11 22.435 11.205 4.862 1.00 0.00 N ATOM 162 CA ARG A 11 22.588 9.980 5.652 1.00 0.00 C ATOM 163 C ARG A 11 22.831 10.347 7.126 1.00 0.00 C ATOM 164 O ARG A 11 23.713 11.159 7.420 1.00 0.00 O ATOM 165 CB ARG A 11 23.787 9.176 5.091 1.00 0.00 C ATOM 166 CG ARG A 11 23.977 7.762 5.675 1.00 0.00 C ATOM 167 CD ARG A 11 25.239 7.074 5.119 1.00 0.00 C ATOM 168 NE ARG A 11 25.341 5.651 5.514 1.00 0.00 N ATOM 169 CZ ARG A 11 26.435 5.049 6.000 1.00 0.00 C ATOM 170 NH1 ARG A 11 27.557 5.732 6.222 1.00 0.00 N ATOM 171 NH2 ARG A 11 26.401 3.748 6.262 1.00 0.00 N ATOM 0 H ARG A 11 23.095 11.938 5.124 1.00 0.00 H new ATOM 0 HA ARG A 11 21.684 9.374 5.590 1.00 0.00 H new ATOM 0 HB2 ARG A 11 23.669 9.090 4.011 1.00 0.00 H new ATOM 0 HB3 ARG A 11 24.698 9.747 5.268 1.00 0.00 H new ATOM 0 HG2 ARG A 11 24.046 7.824 6.761 1.00 0.00 H new ATOM 0 HG3 ARG A 11 23.102 7.154 5.446 1.00 0.00 H new ATOM 0 HD2 ARG A 11 25.236 7.145 4.031 1.00 0.00 H new ATOM 0 HD3 ARG A 11 26.122 7.608 5.470 1.00 0.00 H new ATOM 0 HE ARG A 11 24.504 5.078 5.407 1.00 0.00 H new ATOM 0 HH11 ARG A 11 27.594 6.731 6.022 1.00 0.00 H new ATOM 0 HH12 ARG A 11 28.379 5.256 6.592 1.00 0.00 H new ATOM 0 HH21 ARG A 11 25.547 3.216 6.093 1.00 0.00 H new ATOM 0 HH22 ARG A 11 27.229 3.281 6.632 1.00 0.00 H new ATOM 185 N ARG A 12 22.044 9.751 8.038 1.00 0.00 N ATOM 186 CA ARG A 12 22.197 9.923 9.500 1.00 0.00 C ATOM 187 C ARG A 12 22.360 8.542 10.162 1.00 0.00 C ATOM 188 O ARG A 12 22.030 7.511 9.565 1.00 0.00 O ATOM 189 CB ARG A 12 20.974 10.682 10.099 1.00 0.00 C ATOM 190 CG ARG A 12 19.686 9.836 10.236 1.00 0.00 C ATOM 191 CD ARG A 12 18.433 10.670 10.575 1.00 0.00 C ATOM 192 NE ARG A 12 18.533 11.398 11.851 1.00 0.00 N ATOM 193 CZ ARG A 12 17.560 11.460 12.769 1.00 0.00 C ATOM 194 NH1 ARG A 12 16.465 10.716 12.647 1.00 0.00 N ATOM 195 NH2 ARG A 12 17.709 12.212 13.842 1.00 0.00 N ATOM 0 H ARG A 12 21.276 9.130 7.783 1.00 0.00 H new ATOM 0 HA ARG A 12 23.086 10.521 9.698 1.00 0.00 H new ATOM 0 HB2 ARG A 12 21.248 11.063 11.083 1.00 0.00 H new ATOM 0 HB3 ARG A 12 20.758 11.547 9.471 1.00 0.00 H new ATOM 0 HG2 ARG A 12 19.513 9.299 9.304 1.00 0.00 H new ATOM 0 HG3 ARG A 12 19.835 9.086 11.013 1.00 0.00 H new ATOM 0 HD2 ARG A 12 18.255 11.385 9.772 1.00 0.00 H new ATOM 0 HD3 ARG A 12 17.567 10.009 10.611 1.00 0.00 H new ATOM 0 HE ARG A 12 19.404 11.890 12.050 1.00 0.00 H new ATOM 0 HH11 ARG A 12 16.360 10.090 11.848 1.00 0.00 H new ATOM 0 HH12 ARG A 12 15.730 10.771 13.352 1.00 0.00 H new ATOM 0 HH21 ARG A 12 18.567 12.748 13.974 1.00 0.00 H new ATOM 0 HH22 ARG A 12 16.967 12.258 14.540 1.00 0.00 H new ATOM 209 N VAL A 13 22.868 8.538 11.402 1.00 0.00 N ATOM 210 CA VAL A 13 23.050 7.323 12.212 1.00 0.00 C ATOM 211 C VAL A 13 22.356 7.524 13.567 1.00 0.00 C ATOM 212 O VAL A 13 22.779 8.368 14.366 1.00 0.00 O ATOM 213 CB VAL A 13 24.574 6.968 12.435 1.00 0.00 C ATOM 214 CG1 VAL A 13 24.725 5.674 13.289 1.00 0.00 C ATOM 215 CG2 VAL A 13 25.321 6.845 11.080 1.00 0.00 C ATOM 0 H VAL A 13 23.168 9.389 11.878 1.00 0.00 H new ATOM 0 HA VAL A 13 22.606 6.487 11.672 1.00 0.00 H new ATOM 0 HB VAL A 13 25.034 7.785 12.990 1.00 0.00 H new ATOM 0 HG11 VAL A 13 25.783 5.451 13.428 1.00 0.00 H new ATOM 0 HG12 VAL A 13 24.255 5.823 14.261 1.00 0.00 H new ATOM 0 HG13 VAL A 13 24.243 4.841 12.776 1.00 0.00 H new ATOM 0 HG21 VAL A 13 26.367 6.600 11.262 1.00 0.00 H new ATOM 0 HG22 VAL A 13 24.863 6.057 10.482 1.00 0.00 H new ATOM 0 HG23 VAL A 13 25.258 7.791 10.543 1.00 0.00 H new ATOM 225 N VAL A 14 21.276 6.765 13.812 1.00 0.00 N ATOM 226 CA VAL A 14 20.501 6.818 15.049 1.00 0.00 C ATOM 227 C VAL A 14 20.513 5.436 15.718 1.00 0.00 C ATOM 228 O VAL A 14 20.194 4.431 15.084 1.00 0.00 O ATOM 229 CB VAL A 14 19.025 7.296 14.771 1.00 0.00 C ATOM 230 CG1 VAL A 14 18.992 8.806 14.441 1.00 0.00 C ATOM 231 CG2 VAL A 14 18.341 6.462 13.649 1.00 0.00 C ATOM 0 H VAL A 14 20.916 6.087 13.140 1.00 0.00 H new ATOM 0 HA VAL A 14 20.957 7.544 15.722 1.00 0.00 H new ATOM 0 HB VAL A 14 18.452 7.130 15.684 1.00 0.00 H new ATOM 0 HG11 VAL A 14 17.964 9.115 14.253 1.00 0.00 H new ATOM 0 HG12 VAL A 14 19.392 9.371 15.283 1.00 0.00 H new ATOM 0 HG13 VAL A 14 19.597 8.998 13.555 1.00 0.00 H new ATOM 0 HG21 VAL A 14 17.326 6.827 13.492 1.00 0.00 H new ATOM 0 HG22 VAL A 14 18.909 6.561 12.724 1.00 0.00 H new ATOM 0 HG23 VAL A 14 18.308 5.413 13.944 1.00 0.00 H new ATOM 241 N ASN A 15 20.938 5.400 16.993 1.00 0.00 N ATOM 242 CA ASN A 15 20.969 4.174 17.828 1.00 0.00 C ATOM 243 C ASN A 15 21.903 3.090 17.237 1.00 0.00 C ATOM 244 O ASN A 15 21.785 1.906 17.563 1.00 0.00 O ATOM 245 CB ASN A 15 19.529 3.622 18.058 1.00 0.00 C ATOM 246 CG ASN A 15 18.578 4.648 18.682 1.00 0.00 C ATOM 247 OD1 ASN A 15 18.497 4.782 19.902 1.00 0.00 O ATOM 248 ND2 ASN A 15 17.845 5.373 17.846 1.00 0.00 N ATOM 0 H ASN A 15 21.275 6.228 17.484 1.00 0.00 H new ATOM 0 HA ASN A 15 21.384 4.451 18.797 1.00 0.00 H new ATOM 0 HB2 ASN A 15 19.118 3.290 17.105 1.00 0.00 H new ATOM 0 HB3 ASN A 15 19.582 2.746 18.705 1.00 0.00 H new ATOM 0 HD21 ASN A 15 17.191 6.066 18.210 1.00 0.00 H new ATOM 0 HD22 ASN A 15 17.936 5.238 16.839 1.00 0.00 H new ATOM 255 N GLY A 16 22.842 3.524 16.373 1.00 0.00 N ATOM 256 CA GLY A 16 23.759 2.619 15.671 1.00 0.00 C ATOM 257 C GLY A 16 23.298 2.262 14.257 1.00 0.00 C ATOM 258 O GLY A 16 24.122 1.907 13.406 1.00 0.00 O ATOM 0 H GLY A 16 22.982 4.509 16.146 1.00 0.00 H new ATOM 0 HA2 GLY A 16 24.744 3.082 15.618 1.00 0.00 H new ATOM 0 HA3 GLY A 16 23.868 1.703 16.251 1.00 0.00 H new ATOM 262 N LYS A 17 21.974 2.363 14.007 1.00 0.00 N ATOM 263 CA LYS A 17 21.366 2.072 12.690 1.00 0.00 C ATOM 264 C LYS A 17 21.514 3.312 11.799 1.00 0.00 C ATOM 265 O LYS A 17 21.755 4.413 12.293 1.00 0.00 O ATOM 266 CB LYS A 17 19.859 1.665 12.833 1.00 0.00 C ATOM 267 CG LYS A 17 18.823 2.818 12.699 1.00 0.00 C ATOM 268 CD LYS A 17 17.372 2.372 12.995 1.00 0.00 C ATOM 269 CE LYS A 17 16.897 1.242 12.067 1.00 0.00 C ATOM 270 NZ LYS A 17 15.550 0.735 12.429 1.00 0.00 N ATOM 0 H LYS A 17 21.296 2.649 14.714 1.00 0.00 H new ATOM 0 HA LYS A 17 21.881 1.226 12.235 1.00 0.00 H new ATOM 0 HB2 LYS A 17 19.634 0.912 12.078 1.00 0.00 H new ATOM 0 HB3 LYS A 17 19.722 1.192 13.805 1.00 0.00 H new ATOM 0 HG2 LYS A 17 19.095 3.623 13.382 1.00 0.00 H new ATOM 0 HG3 LYS A 17 18.872 3.226 11.689 1.00 0.00 H new ATOM 0 HD2 LYS A 17 17.303 2.039 14.031 1.00 0.00 H new ATOM 0 HD3 LYS A 17 16.705 3.227 12.890 1.00 0.00 H new ATOM 0 HE2 LYS A 17 16.881 1.604 11.039 1.00 0.00 H new ATOM 0 HE3 LYS A 17 17.613 0.421 12.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 15.313 -0.080 11.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 15.546 0.442 13.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 14.846 1.487 12.286 1.00 0.00 H new ATOM 284 N VAL A 18 21.340 3.131 10.491 1.00 0.00 N ATOM 285 CA VAL A 18 21.522 4.194 9.501 1.00 0.00 C ATOM 286 C VAL A 18 20.195 4.474 8.772 1.00 0.00 C ATOM 287 O VAL A 18 19.566 3.548 8.253 1.00 0.00 O ATOM 288 CB VAL A 18 22.623 3.795 8.453 1.00 0.00 C ATOM 289 CG1 VAL A 18 22.877 4.946 7.466 1.00 0.00 C ATOM 290 CG2 VAL A 18 23.937 3.345 9.147 1.00 0.00 C ATOM 0 H VAL A 18 21.067 2.236 10.084 1.00 0.00 H new ATOM 0 HA VAL A 18 21.844 5.094 10.024 1.00 0.00 H new ATOM 0 HB VAL A 18 22.250 2.941 7.888 1.00 0.00 H new ATOM 0 HG11 VAL A 18 23.643 4.649 6.749 1.00 0.00 H new ATOM 0 HG12 VAL A 18 21.954 5.180 6.935 1.00 0.00 H new ATOM 0 HG13 VAL A 18 23.214 5.826 8.013 1.00 0.00 H new ATOM 0 HG21 VAL A 18 24.675 3.077 8.391 1.00 0.00 H new ATOM 0 HG22 VAL A 18 24.324 4.161 9.758 1.00 0.00 H new ATOM 0 HG23 VAL A 18 23.736 2.481 9.780 1.00 0.00 H new ATOM 300 N GLU A 19 19.778 5.753 8.754 1.00 0.00 N ATOM 301 CA GLU A 19 18.645 6.232 7.936 1.00 0.00 C ATOM 302 C GLU A 19 19.172 7.104 6.787 1.00 0.00 C ATOM 303 O GLU A 19 20.250 7.697 6.884 1.00 0.00 O ATOM 304 CB GLU A 19 17.618 7.031 8.786 1.00 0.00 C ATOM 305 CG GLU A 19 17.038 6.263 9.983 1.00 0.00 C ATOM 306 CD GLU A 19 15.946 7.059 10.727 1.00 0.00 C ATOM 307 OE1 GLU A 19 16.273 8.097 11.344 1.00 0.00 O ATOM 308 OE2 GLU A 19 14.765 6.655 10.693 1.00 0.00 O ATOM 0 H GLU A 19 20.218 6.488 9.308 1.00 0.00 H new ATOM 0 HA GLU A 19 18.129 5.362 7.531 1.00 0.00 H new ATOM 0 HB2 GLU A 19 18.098 7.938 9.152 1.00 0.00 H new ATOM 0 HB3 GLU A 19 16.797 7.343 8.140 1.00 0.00 H new ATOM 0 HG2 GLU A 19 16.620 5.318 9.636 1.00 0.00 H new ATOM 0 HG3 GLU A 19 17.842 6.020 10.678 1.00 0.00 H new ATOM 315 N TYR A 20 18.400 7.162 5.698 1.00 0.00 N ATOM 316 CA TYR A 20 18.734 7.916 4.482 1.00 0.00 C ATOM 317 C TYR A 20 17.545 8.823 4.123 1.00 0.00 C ATOM 318 O TYR A 20 16.407 8.346 4.066 1.00 0.00 O ATOM 319 CB TYR A 20 19.033 6.947 3.298 1.00 0.00 C ATOM 320 CG TYR A 20 20.264 6.032 3.485 1.00 0.00 C ATOM 321 CD1 TYR A 20 20.215 4.883 4.284 1.00 0.00 C ATOM 322 CD2 TYR A 20 21.477 6.316 2.852 1.00 0.00 C ATOM 323 CE1 TYR A 20 21.324 4.069 4.437 1.00 0.00 C ATOM 324 CE2 TYR A 20 22.579 5.508 3.002 1.00 0.00 C ATOM 325 CZ TYR A 20 22.500 4.388 3.792 1.00 0.00 C ATOM 326 OH TYR A 20 23.612 3.594 3.952 1.00 0.00 O ATOM 0 H TYR A 20 17.505 6.676 5.634 1.00 0.00 H new ATOM 0 HA TYR A 20 19.625 8.517 4.664 1.00 0.00 H new ATOM 0 HB2 TYR A 20 18.157 6.320 3.134 1.00 0.00 H new ATOM 0 HB3 TYR A 20 19.175 7.539 2.394 1.00 0.00 H new ATOM 0 HD1 TYR A 20 19.296 4.627 4.790 1.00 0.00 H new ATOM 0 HD2 TYR A 20 21.551 7.194 2.228 1.00 0.00 H new ATOM 0 HE1 TYR A 20 21.268 3.188 5.059 1.00 0.00 H new ATOM 0 HE2 TYR A 20 23.503 5.753 2.500 1.00 0.00 H new ATOM 0 HH TYR A 20 23.537 2.806 3.374 1.00 0.00 H new ATOM 336 N PHE A 21 17.810 10.128 3.912 1.00 0.00 N ATOM 337 CA PHE A 21 16.776 11.097 3.514 1.00 0.00 C ATOM 338 C PHE A 21 16.509 10.928 2.023 1.00 0.00 C ATOM 339 O PHE A 21 17.347 11.269 1.191 1.00 0.00 O ATOM 340 CB PHE A 21 17.238 12.550 3.831 1.00 0.00 C ATOM 341 CG PHE A 21 16.142 13.596 3.671 1.00 0.00 C ATOM 342 CD1 PHE A 21 14.994 13.531 4.455 1.00 0.00 C ATOM 343 CD2 PHE A 21 16.244 14.630 2.739 1.00 0.00 C ATOM 344 CE1 PHE A 21 13.991 14.463 4.323 1.00 0.00 C ATOM 345 CE2 PHE A 21 15.234 15.566 2.605 1.00 0.00 C ATOM 346 CZ PHE A 21 14.107 15.482 3.396 1.00 0.00 C ATOM 0 H PHE A 21 18.740 10.535 4.012 1.00 0.00 H new ATOM 0 HA PHE A 21 15.859 10.915 4.075 1.00 0.00 H new ATOM 0 HB2 PHE A 21 17.614 12.586 4.853 1.00 0.00 H new ATOM 0 HB3 PHE A 21 18.070 12.807 3.176 1.00 0.00 H new ATOM 0 HD1 PHE A 21 14.889 12.736 5.179 1.00 0.00 H new ATOM 0 HD2 PHE A 21 17.122 14.700 2.115 1.00 0.00 H new ATOM 0 HE1 PHE A 21 13.111 14.399 4.945 1.00 0.00 H new ATOM 0 HE2 PHE A 21 15.328 16.362 1.881 1.00 0.00 H new ATOM 0 HZ PHE A 21 13.317 16.211 3.291 1.00 0.00 H new ATOM 356 N LEU A 22 15.351 10.366 1.709 1.00 0.00 N ATOM 357 CA LEU A 22 14.996 9.968 0.348 1.00 0.00 C ATOM 358 C LEU A 22 14.240 11.074 -0.373 1.00 0.00 C ATOM 359 O LEU A 22 13.173 11.484 0.083 1.00 0.00 O ATOM 360 CB LEU A 22 14.127 8.694 0.392 1.00 0.00 C ATOM 361 CG LEU A 22 14.798 7.429 1.001 1.00 0.00 C ATOM 362 CD1 LEU A 22 13.871 6.221 0.848 1.00 0.00 C ATOM 363 CD2 LEU A 22 16.199 7.158 0.393 1.00 0.00 C ATOM 0 H LEU A 22 14.622 10.170 2.395 1.00 0.00 H new ATOM 0 HA LEU A 22 15.918 9.772 -0.200 1.00 0.00 H new ATOM 0 HB2 LEU A 22 13.225 8.913 0.964 1.00 0.00 H new ATOM 0 HB3 LEU A 22 13.811 8.459 -0.624 1.00 0.00 H new ATOM 0 HG LEU A 22 14.959 7.611 2.064 1.00 0.00 H new ATOM 0 HD11 LEU A 22 14.348 5.340 1.277 1.00 0.00 H new ATOM 0 HD12 LEU A 22 12.932 6.414 1.367 1.00 0.00 H new ATOM 0 HD13 LEU A 22 13.671 6.047 -0.209 1.00 0.00 H new ATOM 0 HD21 LEU A 22 16.627 6.265 0.849 1.00 0.00 H new ATOM 0 HD22 LEU A 22 16.106 7.007 -0.682 1.00 0.00 H new ATOM 0 HD23 LEU A 22 16.850 8.011 0.584 1.00 0.00 H new ATOM 375 N LYS A 23 14.807 11.553 -1.495 1.00 0.00 N ATOM 376 CA LYS A 23 14.099 12.412 -2.431 1.00 0.00 C ATOM 377 C LYS A 23 13.145 11.514 -3.225 1.00 0.00 C ATOM 378 O LYS A 23 13.548 10.896 -4.209 1.00 0.00 O ATOM 379 CB LYS A 23 15.089 13.175 -3.385 1.00 0.00 C ATOM 380 CG LYS A 23 14.587 14.552 -3.901 1.00 0.00 C ATOM 381 CD LYS A 23 13.249 14.489 -4.670 1.00 0.00 C ATOM 382 CE LYS A 23 12.787 15.869 -5.171 1.00 0.00 C ATOM 383 NZ LYS A 23 11.533 15.771 -5.956 1.00 0.00 N ATOM 0 H LYS A 23 15.768 11.349 -1.768 1.00 0.00 H new ATOM 0 HA LYS A 23 13.548 13.184 -1.894 1.00 0.00 H new ATOM 0 HB2 LYS A 23 16.032 13.325 -2.858 1.00 0.00 H new ATOM 0 HB3 LYS A 23 15.301 12.539 -4.244 1.00 0.00 H new ATOM 0 HG2 LYS A 23 14.474 15.227 -3.052 1.00 0.00 H new ATOM 0 HG3 LYS A 23 15.348 14.983 -4.552 1.00 0.00 H new ATOM 0 HD2 LYS A 23 13.354 13.815 -5.520 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.481 14.067 -4.022 1.00 0.00 H new ATOM 0 HE2 LYS A 23 12.634 16.533 -4.320 1.00 0.00 H new ATOM 0 HE3 LYS A 23 13.569 16.314 -5.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 11.385 16.654 -6.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 11.602 14.975 -6.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 10.731 15.615 -5.312 1.00 0.00 H new ATOM 397 N TRP A 24 11.903 11.410 -2.750 1.00 0.00 N ATOM 398 CA TRP A 24 10.864 10.618 -3.410 1.00 0.00 C ATOM 399 C TRP A 24 10.461 11.261 -4.742 1.00 0.00 C ATOM 400 O TRP A 24 10.268 12.484 -4.811 1.00 0.00 O ATOM 401 CB TRP A 24 9.616 10.488 -2.506 1.00 0.00 C ATOM 402 CG TRP A 24 9.864 9.853 -1.167 1.00 0.00 C ATOM 403 CD1 TRP A 24 10.009 10.492 0.023 1.00 0.00 C ATOM 404 CD2 TRP A 24 9.974 8.458 -0.881 1.00 0.00 C ATOM 405 NE1 TRP A 24 10.178 9.590 1.028 1.00 0.00 N ATOM 406 CE2 TRP A 24 10.161 8.337 0.501 1.00 0.00 C ATOM 407 CE3 TRP A 24 9.904 7.301 -1.658 1.00 0.00 C ATOM 408 CZ2 TRP A 24 10.297 7.111 1.122 1.00 0.00 C ATOM 409 CZ3 TRP A 24 10.049 6.083 -1.039 1.00 0.00 C ATOM 410 CH2 TRP A 24 10.238 5.993 0.344 1.00 0.00 C ATOM 0 H TRP A 24 11.589 11.872 -1.897 1.00 0.00 H new ATOM 0 HA TRP A 24 11.272 9.625 -3.599 1.00 0.00 H new ATOM 0 HB2 TRP A 24 9.196 11.481 -2.348 1.00 0.00 H new ATOM 0 HB3 TRP A 24 8.863 9.904 -3.034 1.00 0.00 H new ATOM 0 HD1 TRP A 24 9.993 11.564 0.153 1.00 0.00 H new ATOM 0 HE1 TRP A 24 10.298 9.817 2.015 1.00 0.00 H new ATOM 0 HE3 TRP A 24 9.739 7.362 -2.724 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 10.445 7.040 2.189 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 10.016 5.180 -1.630 1.00 0.00 H new ATOM 0 HH2 TRP A 24 10.339 5.021 0.804 1.00 0.00 H new ATOM 421 N LYS A 25 10.349 10.426 -5.787 1.00 0.00 N ATOM 422 CA LYS A 25 9.822 10.841 -7.090 1.00 0.00 C ATOM 423 C LYS A 25 8.341 11.169 -6.977 1.00 0.00 C ATOM 424 O LYS A 25 7.579 10.436 -6.340 1.00 0.00 O ATOM 425 CB LYS A 25 10.082 9.757 -8.177 1.00 0.00 C ATOM 426 CG LYS A 25 11.306 10.066 -9.044 1.00 0.00 C ATOM 427 CD LYS A 25 11.581 9.023 -10.148 1.00 0.00 C ATOM 428 CE LYS A 25 12.927 9.284 -10.862 1.00 0.00 C ATOM 429 NZ LYS A 25 13.050 10.694 -11.336 1.00 0.00 N ATOM 0 H LYS A 25 10.622 9.444 -5.749 1.00 0.00 H new ATOM 0 HA LYS A 25 10.349 11.742 -7.403 1.00 0.00 H new ATOM 0 HB2 LYS A 25 10.220 8.790 -7.693 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.203 9.671 -8.815 1.00 0.00 H new ATOM 0 HG2 LYS A 25 11.171 11.043 -9.509 1.00 0.00 H new ATOM 0 HG3 LYS A 25 12.183 10.138 -8.401 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.589 8.025 -9.711 1.00 0.00 H new ATOM 0 HD3 LYS A 25 10.772 9.045 -10.878 1.00 0.00 H new ATOM 0 HE2 LYS A 25 13.747 9.059 -10.181 1.00 0.00 H new ATOM 0 HE3 LYS A 25 13.023 8.607 -11.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 13.687 10.730 -12.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 12.112 11.052 -11.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 13.437 11.284 -10.572 1.00 0.00 H new ATOM 443 N GLY A 26 7.962 12.300 -7.572 1.00 0.00 N ATOM 444 CA GLY A 26 6.589 12.754 -7.589 1.00 0.00 C ATOM 445 C GLY A 26 6.237 13.632 -6.381 1.00 0.00 C ATOM 446 O GLY A 26 5.445 14.572 -6.501 1.00 0.00 O ATOM 0 H GLY A 26 8.609 12.923 -8.055 1.00 0.00 H new ATOM 0 HA2 GLY A 26 6.408 13.316 -8.505 1.00 0.00 H new ATOM 0 HA3 GLY A 26 5.926 11.889 -7.609 1.00 0.00 H new ATOM 450 N PHE A 27 6.848 13.327 -5.220 1.00 0.00 N ATOM 451 CA PHE A 27 6.589 14.020 -3.943 1.00 0.00 C ATOM 452 C PHE A 27 7.565 15.200 -3.761 1.00 0.00 C ATOM 453 O PHE A 27 8.708 15.156 -4.245 1.00 0.00 O ATOM 454 CB PHE A 27 6.711 13.018 -2.762 1.00 0.00 C ATOM 455 CG PHE A 27 5.791 11.798 -2.884 1.00 0.00 C ATOM 456 CD1 PHE A 27 4.469 11.845 -2.440 1.00 0.00 C ATOM 457 CD2 PHE A 27 6.242 10.604 -3.444 1.00 0.00 C ATOM 458 CE1 PHE A 27 3.641 10.742 -2.547 1.00 0.00 C ATOM 459 CE2 PHE A 27 5.418 9.504 -3.549 1.00 0.00 C ATOM 460 CZ PHE A 27 4.115 9.573 -3.101 1.00 0.00 C ATOM 0 H PHE A 27 7.543 12.584 -5.142 1.00 0.00 H new ATOM 0 HA PHE A 27 5.575 14.419 -3.958 1.00 0.00 H new ATOM 0 HB2 PHE A 27 7.744 12.676 -2.694 1.00 0.00 H new ATOM 0 HB3 PHE A 27 6.485 13.539 -1.832 1.00 0.00 H new ATOM 0 HD1 PHE A 27 4.086 12.757 -2.006 1.00 0.00 H new ATOM 0 HD2 PHE A 27 7.258 10.539 -3.803 1.00 0.00 H new ATOM 0 HE1 PHE A 27 2.621 10.797 -2.196 1.00 0.00 H new ATOM 0 HE2 PHE A 27 5.792 8.588 -3.982 1.00 0.00 H new ATOM 0 HZ PHE A 27 3.468 8.712 -3.184 1.00 0.00 H new ATOM 470 N THR A 28 7.095 16.249 -3.056 1.00 0.00 N ATOM 471 CA THR A 28 7.873 17.472 -2.782 1.00 0.00 C ATOM 472 C THR A 28 9.017 17.211 -1.777 1.00 0.00 C ATOM 473 O THR A 28 8.985 16.233 -1.025 1.00 0.00 O ATOM 474 CB THR A 28 6.947 18.628 -2.252 1.00 0.00 C ATOM 475 OG1 THR A 28 6.085 18.131 -1.212 1.00 0.00 O ATOM 476 CG2 THR A 28 6.102 19.273 -3.371 1.00 0.00 C ATOM 0 H THR A 28 6.156 16.270 -2.658 1.00 0.00 H new ATOM 0 HA THR A 28 8.316 17.783 -3.728 1.00 0.00 H new ATOM 0 HB THR A 28 7.601 19.404 -1.854 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.513 18.857 -0.886 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.482 20.064 -2.949 1.00 0.00 H new ATOM 0 HG22 THR A 28 6.763 19.695 -4.129 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.464 18.516 -3.827 1.00 0.00 H new ATOM 484 N ASP A 29 10.002 18.129 -1.769 1.00 0.00 N ATOM 485 CA ASP A 29 11.216 18.044 -0.926 1.00 0.00 C ATOM 486 C ASP A 29 10.881 18.148 0.576 1.00 0.00 C ATOM 487 O ASP A 29 11.593 17.593 1.426 1.00 0.00 O ATOM 488 CB ASP A 29 12.233 19.139 -1.344 1.00 0.00 C ATOM 489 CG ASP A 29 11.682 20.568 -1.174 1.00 0.00 C ATOM 490 OD1 ASP A 29 10.922 21.027 -2.049 1.00 0.00 O ATOM 491 OD2 ASP A 29 11.983 21.223 -0.158 1.00 0.00 O ATOM 0 H ASP A 29 9.979 18.963 -2.355 1.00 0.00 H new ATOM 0 HA ASP A 29 11.666 17.064 -1.085 1.00 0.00 H new ATOM 0 HB2 ASP A 29 13.140 19.032 -0.748 1.00 0.00 H new ATOM 0 HB3 ASP A 29 12.516 18.986 -2.385 1.00 0.00 H new ATOM 496 N ALA A 30 9.797 18.881 0.884 1.00 0.00 N ATOM 497 CA ALA A 30 9.272 19.022 2.253 1.00 0.00 C ATOM 498 C ALA A 30 8.516 17.743 2.698 1.00 0.00 C ATOM 499 O ALA A 30 8.449 17.433 3.892 1.00 0.00 O ATOM 500 CB ALA A 30 8.365 20.265 2.345 1.00 0.00 C ATOM 0 H ALA A 30 9.258 19.395 0.187 1.00 0.00 H new ATOM 0 HA ALA A 30 10.113 19.155 2.934 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.981 20.361 3.361 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.940 21.155 2.089 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.531 20.159 1.651 1.00 0.00 H new ATOM 506 N ASP A 31 7.967 17.005 1.713 1.00 0.00 N ATOM 507 CA ASP A 31 7.230 15.745 1.947 1.00 0.00 C ATOM 508 C ASP A 31 8.190 14.536 1.929 1.00 0.00 C ATOM 509 O ASP A 31 7.811 13.420 2.316 1.00 0.00 O ATOM 510 CB ASP A 31 6.105 15.576 0.886 1.00 0.00 C ATOM 511 CG ASP A 31 5.157 14.390 1.149 1.00 0.00 C ATOM 512 OD1 ASP A 31 4.665 14.249 2.286 1.00 0.00 O ATOM 513 OD2 ASP A 31 4.890 13.607 0.217 1.00 0.00 O ATOM 0 H ASP A 31 8.022 17.266 0.729 1.00 0.00 H new ATOM 0 HA ASP A 31 6.770 15.791 2.934 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.518 16.493 0.847 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.563 15.449 -0.095 1.00 0.00 H new ATOM 518 N ASN A 32 9.443 14.764 1.469 1.00 0.00 N ATOM 519 CA ASN A 32 10.497 13.737 1.501 1.00 0.00 C ATOM 520 C ASN A 32 10.841 13.363 2.955 1.00 0.00 C ATOM 521 O ASN A 32 10.834 14.228 3.840 1.00 0.00 O ATOM 522 CB ASN A 32 11.755 14.191 0.714 1.00 0.00 C ATOM 523 CG ASN A 32 11.536 14.353 -0.802 1.00 0.00 C ATOM 524 OD1 ASN A 32 12.260 15.092 -1.462 1.00 0.00 O ATOM 525 ND2 ASN A 32 10.546 13.671 -1.375 1.00 0.00 N ATOM 0 H ASN A 32 9.743 15.654 1.072 1.00 0.00 H new ATOM 0 HA ASN A 32 10.117 12.844 1.005 1.00 0.00 H new ATOM 0 HB2 ASN A 32 12.100 15.141 1.122 1.00 0.00 H new ATOM 0 HB3 ASN A 32 12.552 13.466 0.878 1.00 0.00 H new ATOM 0 HD21 ASN A 32 10.380 13.758 -2.378 1.00 0.00 H new ATOM 0 HD22 ASN A 32 9.954 13.061 -0.811 1.00 0.00 H new ATOM 532 N THR A 33 11.127 12.068 3.195 1.00 0.00 N ATOM 533 CA THR A 33 11.233 11.499 4.562 1.00 0.00 C ATOM 534 C THR A 33 12.496 10.634 4.727 1.00 0.00 C ATOM 535 O THR A 33 13.099 10.188 3.744 1.00 0.00 O ATOM 536 CB THR A 33 9.960 10.639 4.911 1.00 0.00 C ATOM 537 OG1 THR A 33 9.719 9.671 3.877 1.00 0.00 O ATOM 538 CG2 THR A 33 8.701 11.505 5.095 1.00 0.00 C ATOM 0 H THR A 33 11.291 11.387 2.454 1.00 0.00 H new ATOM 0 HA THR A 33 11.302 12.341 5.250 1.00 0.00 H new ATOM 0 HB THR A 33 10.165 10.138 5.857 1.00 0.00 H new ATOM 0 HG1 THR A 33 9.847 8.769 4.237 1.00 0.00 H new ATOM 0 HG21 THR A 33 7.851 10.866 5.334 1.00 0.00 H new ATOM 0 HG22 THR A 33 8.862 12.213 5.908 1.00 0.00 H new ATOM 0 HG23 THR A 33 8.497 12.050 4.174 1.00 0.00 H new ATOM 546 N TRP A 34 12.877 10.421 6.002 1.00 0.00 N ATOM 547 CA TRP A 34 13.974 9.521 6.393 1.00 0.00 C ATOM 548 C TRP A 34 13.471 8.085 6.438 1.00 0.00 C ATOM 549 O TRP A 34 12.509 7.787 7.162 1.00 0.00 O ATOM 550 CB TRP A 34 14.527 9.905 7.791 1.00 0.00 C ATOM 551 CG TRP A 34 15.201 11.249 7.837 1.00 0.00 C ATOM 552 CD1 TRP A 34 14.640 12.454 8.166 1.00 0.00 C ATOM 553 CD2 TRP A 34 16.569 11.506 7.535 1.00 0.00 C ATOM 554 NE1 TRP A 34 15.588 13.438 8.092 1.00 0.00 N ATOM 555 CE2 TRP A 34 16.779 12.879 7.707 1.00 0.00 C ATOM 556 CE3 TRP A 34 17.638 10.700 7.130 1.00 0.00 C ATOM 557 CZ2 TRP A 34 18.021 13.468 7.496 1.00 0.00 C ATOM 558 CZ3 TRP A 34 18.871 11.282 6.922 1.00 0.00 C ATOM 559 CH2 TRP A 34 19.052 12.656 7.107 1.00 0.00 C ATOM 0 H TRP A 34 12.425 10.875 6.796 1.00 0.00 H new ATOM 0 HA TRP A 34 14.772 9.615 5.656 1.00 0.00 H new ATOM 0 HB2 TRP A 34 13.707 9.897 8.509 1.00 0.00 H new ATOM 0 HB3 TRP A 34 15.238 9.143 8.111 1.00 0.00 H new ATOM 0 HD1 TRP A 34 13.607 12.605 8.442 1.00 0.00 H new ATOM 0 HE1 TRP A 34 15.434 14.426 8.291 1.00 0.00 H new ATOM 0 HE3 TRP A 34 17.500 9.639 6.983 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 18.167 14.529 7.634 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 19.705 10.670 6.613 1.00 0.00 H new ATOM 0 HH2 TRP A 34 20.028 13.087 6.939 1.00 0.00 H new ATOM 570 N GLU A 35 14.105 7.204 5.655 1.00 0.00 N ATOM 571 CA GLU A 35 13.850 5.759 5.716 1.00 0.00 C ATOM 572 C GLU A 35 15.144 5.020 6.051 1.00 0.00 C ATOM 573 O GLU A 35 16.172 5.265 5.404 1.00 0.00 O ATOM 574 CB GLU A 35 13.274 5.218 4.387 1.00 0.00 C ATOM 575 CG GLU A 35 11.942 5.859 3.946 1.00 0.00 C ATOM 576 CD GLU A 35 10.851 5.898 5.040 1.00 0.00 C ATOM 577 OE1 GLU A 35 10.736 4.925 5.819 1.00 0.00 O ATOM 578 OE2 GLU A 35 10.092 6.891 5.119 1.00 0.00 O ATOM 0 H GLU A 35 14.806 7.471 4.964 1.00 0.00 H new ATOM 0 HA GLU A 35 13.108 5.587 6.496 1.00 0.00 H new ATOM 0 HB2 GLU A 35 14.012 5.371 3.599 1.00 0.00 H new ATOM 0 HB3 GLU A 35 13.128 4.142 4.483 1.00 0.00 H new ATOM 0 HG2 GLU A 35 12.138 6.878 3.611 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.557 5.309 3.087 1.00 0.00 H new ATOM 585 N PRO A 36 15.123 4.098 7.066 1.00 0.00 N ATOM 586 CA PRO A 36 16.298 3.282 7.413 1.00 0.00 C ATOM 587 C PRO A 36 16.755 2.378 6.238 1.00 0.00 C ATOM 588 O PRO A 36 16.001 2.126 5.294 1.00 0.00 O ATOM 589 CB PRO A 36 15.839 2.467 8.658 1.00 0.00 C ATOM 590 CG PRO A 36 14.341 2.498 8.624 1.00 0.00 C ATOM 591 CD PRO A 36 13.962 3.800 7.948 1.00 0.00 C ATOM 0 HA PRO A 36 17.177 3.890 7.626 1.00 0.00 H new ATOM 0 HB2 PRO A 36 16.212 1.444 8.617 1.00 0.00 H new ATOM 0 HB3 PRO A 36 16.220 2.908 9.579 1.00 0.00 H new ATOM 0 HG2 PRO A 36 13.946 1.644 8.074 1.00 0.00 H new ATOM 0 HG3 PRO A 36 13.927 2.447 9.631 1.00 0.00 H new ATOM 0 HD2 PRO A 36 13.041 3.699 7.375 1.00 0.00 H new ATOM 0 HD3 PRO A 36 13.799 4.595 8.676 1.00 0.00 H new ATOM 599 N GLU A 37 18.000 1.909 6.344 1.00 0.00 N ATOM 600 CA GLU A 37 18.692 1.068 5.340 1.00 0.00 C ATOM 601 C GLU A 37 17.904 -0.221 4.975 1.00 0.00 C ATOM 602 O GLU A 37 18.048 -0.758 3.870 1.00 0.00 O ATOM 603 CB GLU A 37 20.089 0.726 5.910 1.00 0.00 C ATOM 604 CG GLU A 37 20.053 0.043 7.298 1.00 0.00 C ATOM 605 CD GLU A 37 21.425 -0.032 7.973 1.00 0.00 C ATOM 606 OE1 GLU A 37 22.374 -0.540 7.343 1.00 0.00 O ATOM 607 OE2 GLU A 37 21.565 0.422 9.127 1.00 0.00 O ATOM 0 H GLU A 37 18.583 2.106 7.157 1.00 0.00 H new ATOM 0 HA GLU A 37 18.774 1.624 4.406 1.00 0.00 H new ATOM 0 HB2 GLU A 37 20.606 0.072 5.208 1.00 0.00 H new ATOM 0 HB3 GLU A 37 20.675 1.642 5.983 1.00 0.00 H new ATOM 0 HG2 GLU A 37 19.367 0.589 7.946 1.00 0.00 H new ATOM 0 HG3 GLU A 37 19.654 -0.966 7.188 1.00 0.00 H new ATOM 614 N GLU A 38 17.072 -0.681 5.928 1.00 0.00 N ATOM 615 CA GLU A 38 16.231 -1.893 5.803 1.00 0.00 C ATOM 616 C GLU A 38 14.970 -1.638 4.937 1.00 0.00 C ATOM 617 O GLU A 38 14.448 -2.566 4.302 1.00 0.00 O ATOM 618 CB GLU A 38 15.840 -2.381 7.229 1.00 0.00 C ATOM 619 CG GLU A 38 15.068 -1.349 8.080 1.00 0.00 C ATOM 620 CD GLU A 38 14.937 -1.756 9.557 1.00 0.00 C ATOM 621 OE1 GLU A 38 13.989 -2.480 9.908 1.00 0.00 O ATOM 622 OE2 GLU A 38 15.791 -1.354 10.367 1.00 0.00 O ATOM 0 H GLU A 38 16.961 -0.212 6.827 1.00 0.00 H new ATOM 0 HA GLU A 38 16.804 -2.667 5.292 1.00 0.00 H new ATOM 0 HB2 GLU A 38 15.232 -3.281 7.135 1.00 0.00 H new ATOM 0 HB3 GLU A 38 16.748 -2.664 7.762 1.00 0.00 H new ATOM 0 HG2 GLU A 38 15.575 -0.386 8.019 1.00 0.00 H new ATOM 0 HG3 GLU A 38 14.072 -1.212 7.658 1.00 0.00 H new ATOM 629 N ASN A 39 14.498 -0.380 4.928 1.00 0.00 N ATOM 630 CA ASN A 39 13.319 0.045 4.141 1.00 0.00 C ATOM 631 C ASN A 39 13.668 0.225 2.656 1.00 0.00 C ATOM 632 O ASN A 39 12.783 0.166 1.799 1.00 0.00 O ATOM 633 CB ASN A 39 12.731 1.369 4.708 1.00 0.00 C ATOM 634 CG ASN A 39 12.020 1.214 6.052 1.00 0.00 C ATOM 635 OD1 ASN A 39 12.362 0.353 6.866 1.00 0.00 O ATOM 636 ND2 ASN A 39 11.028 2.053 6.294 1.00 0.00 N ATOM 0 H ASN A 39 14.922 0.376 5.466 1.00 0.00 H new ATOM 0 HA ASN A 39 12.571 -0.744 4.223 1.00 0.00 H new ATOM 0 HB2 ASN A 39 13.538 2.094 4.818 1.00 0.00 H new ATOM 0 HB3 ASN A 39 12.029 1.781 3.983 1.00 0.00 H new ATOM 0 HD21 ASN A 39 10.519 2.000 7.176 1.00 0.00 H new ATOM 0 HD22 ASN A 39 10.771 2.753 5.598 1.00 0.00 H new ATOM 643 N LEU A 40 14.960 0.431 2.363 1.00 0.00 N ATOM 644 CA LEU A 40 15.437 0.692 0.997 1.00 0.00 C ATOM 645 C LEU A 40 15.393 -0.595 0.159 1.00 0.00 C ATOM 646 O LEU A 40 16.058 -1.571 0.508 1.00 0.00 O ATOM 647 CB LEU A 40 16.882 1.256 1.038 1.00 0.00 C ATOM 648 CG LEU A 40 17.113 2.475 1.986 1.00 0.00 C ATOM 649 CD1 LEU A 40 18.558 2.986 1.887 1.00 0.00 C ATOM 650 CD2 LEU A 40 16.097 3.604 1.729 1.00 0.00 C ATOM 0 H LEU A 40 15.701 0.422 3.063 1.00 0.00 H new ATOM 0 HA LEU A 40 14.783 1.430 0.533 1.00 0.00 H new ATOM 0 HB2 LEU A 40 17.556 0.454 1.339 1.00 0.00 H new ATOM 0 HB3 LEU A 40 17.166 1.548 0.027 1.00 0.00 H new ATOM 0 HG LEU A 40 16.951 2.128 3.007 1.00 0.00 H new ATOM 0 HD11 LEU A 40 18.690 3.835 2.558 1.00 0.00 H new ATOM 0 HD12 LEU A 40 19.246 2.189 2.170 1.00 0.00 H new ATOM 0 HD13 LEU A 40 18.765 3.297 0.863 1.00 0.00 H new ATOM 0 HD21 LEU A 40 16.294 4.432 2.410 1.00 0.00 H new ATOM 0 HD22 LEU A 40 16.190 3.950 0.700 1.00 0.00 H new ATOM 0 HD23 LEU A 40 15.087 3.229 1.895 1.00 0.00 H new ATOM 662 N ASP A 41 14.579 -0.592 -0.910 1.00 0.00 N ATOM 663 CA ASP A 41 14.542 -1.684 -1.909 1.00 0.00 C ATOM 664 C ASP A 41 15.465 -1.344 -3.109 1.00 0.00 C ATOM 665 O ASP A 41 15.617 -2.151 -4.027 1.00 0.00 O ATOM 666 CB ASP A 41 13.087 -1.909 -2.412 1.00 0.00 C ATOM 667 CG ASP A 41 12.100 -2.319 -1.298 1.00 0.00 C ATOM 668 OD1 ASP A 41 11.527 -1.432 -0.623 1.00 0.00 O ATOM 669 OD2 ASP A 41 11.884 -3.540 -1.101 1.00 0.00 O ATOM 0 H ASP A 41 13.926 0.166 -1.110 1.00 0.00 H new ATOM 0 HA ASP A 41 14.897 -2.598 -1.434 1.00 0.00 H new ATOM 0 HB2 ASP A 41 12.729 -0.993 -2.883 1.00 0.00 H new ATOM 0 HB3 ASP A 41 13.094 -2.681 -3.181 1.00 0.00 H new ATOM 674 N CYS A 42 16.057 -0.130 -3.087 1.00 0.00 N ATOM 675 CA CYS A 42 16.902 0.412 -4.172 1.00 0.00 C ATOM 676 C CYS A 42 18.407 0.275 -3.822 1.00 0.00 C ATOM 677 O CYS A 42 18.943 1.108 -3.087 1.00 0.00 O ATOM 678 CB CYS A 42 16.520 1.897 -4.386 1.00 0.00 C ATOM 679 SG CYS A 42 16.587 2.905 -2.886 1.00 0.00 S ATOM 0 H CYS A 42 15.959 0.512 -2.300 1.00 0.00 H new ATOM 0 HA CYS A 42 16.732 -0.151 -5.090 1.00 0.00 H new ATOM 0 HB2 CYS A 42 17.189 2.329 -5.130 1.00 0.00 H new ATOM 0 HB3 CYS A 42 15.512 1.945 -4.798 1.00 0.00 H new ATOM 0 HG CYS A 42 17.694 2.662 -2.249 1.00 0.00 H new ATOM 685 N PRO A 43 19.129 -0.788 -4.334 1.00 0.00 N ATOM 686 CA PRO A 43 20.581 -0.981 -4.057 1.00 0.00 C ATOM 687 C PRO A 43 21.469 -0.015 -4.885 1.00 0.00 C ATOM 688 O PRO A 43 22.593 0.312 -4.482 1.00 0.00 O ATOM 689 CB PRO A 43 20.814 -2.458 -4.453 1.00 0.00 C ATOM 690 CG PRO A 43 19.827 -2.703 -5.556 1.00 0.00 C ATOM 691 CD PRO A 43 18.597 -1.884 -5.200 1.00 0.00 C ATOM 0 HA PRO A 43 20.847 -0.766 -3.022 1.00 0.00 H new ATOM 0 HB2 PRO A 43 21.837 -2.623 -4.790 1.00 0.00 H new ATOM 0 HB3 PRO A 43 20.644 -3.128 -3.610 1.00 0.00 H new ATOM 0 HG2 PRO A 43 20.234 -2.398 -6.520 1.00 0.00 H new ATOM 0 HG3 PRO A 43 19.582 -3.762 -5.634 1.00 0.00 H new ATOM 0 HD2 PRO A 43 18.110 -1.488 -6.091 1.00 0.00 H new ATOM 0 HD3 PRO A 43 17.856 -2.485 -4.673 1.00 0.00 H new ATOM 699 N GLU A 44 20.926 0.434 -6.043 1.00 0.00 N ATOM 700 CA GLU A 44 21.583 1.384 -6.963 1.00 0.00 C ATOM 701 C GLU A 44 21.895 2.716 -6.249 1.00 0.00 C ATOM 702 O GLU A 44 23.016 3.221 -6.312 1.00 0.00 O ATOM 703 CB GLU A 44 20.662 1.626 -8.197 1.00 0.00 C ATOM 704 CG GLU A 44 21.136 2.711 -9.195 1.00 0.00 C ATOM 705 CD GLU A 44 22.527 2.444 -9.799 1.00 0.00 C ATOM 706 OE1 GLU A 44 22.660 1.497 -10.596 1.00 0.00 O ATOM 707 OE2 GLU A 44 23.481 3.195 -9.496 1.00 0.00 O ATOM 0 H GLU A 44 20.004 0.139 -6.366 1.00 0.00 H new ATOM 0 HA GLU A 44 22.529 0.958 -7.297 1.00 0.00 H new ATOM 0 HB2 GLU A 44 20.557 0.685 -8.737 1.00 0.00 H new ATOM 0 HB3 GLU A 44 19.670 1.900 -7.837 1.00 0.00 H new ATOM 0 HG2 GLU A 44 20.409 2.788 -10.004 1.00 0.00 H new ATOM 0 HG3 GLU A 44 21.151 3.675 -8.687 1.00 0.00 H new ATOM 714 N LEU A 45 20.880 3.242 -5.542 1.00 0.00 N ATOM 715 CA LEU A 45 20.966 4.539 -4.843 1.00 0.00 C ATOM 716 C LEU A 45 21.894 4.465 -3.626 1.00 0.00 C ATOM 717 O LEU A 45 22.587 5.436 -3.318 1.00 0.00 O ATOM 718 CB LEU A 45 19.556 5.014 -4.427 1.00 0.00 C ATOM 719 CG LEU A 45 18.588 5.313 -5.608 1.00 0.00 C ATOM 720 CD1 LEU A 45 17.199 5.751 -5.097 1.00 0.00 C ATOM 721 CD2 LEU A 45 19.215 6.349 -6.577 1.00 0.00 C ATOM 0 H LEU A 45 19.976 2.781 -5.438 1.00 0.00 H new ATOM 0 HA LEU A 45 21.394 5.265 -5.534 1.00 0.00 H new ATOM 0 HB2 LEU A 45 19.105 4.252 -3.791 1.00 0.00 H new ATOM 0 HB3 LEU A 45 19.656 5.915 -3.822 1.00 0.00 H new ATOM 0 HG LEU A 45 18.435 4.393 -6.172 1.00 0.00 H new ATOM 0 HD11 LEU A 45 16.546 5.953 -5.946 1.00 0.00 H new ATOM 0 HD12 LEU A 45 16.768 4.956 -4.488 1.00 0.00 H new ATOM 0 HD13 LEU A 45 17.301 6.654 -4.495 1.00 0.00 H new ATOM 0 HD21 LEU A 45 18.524 6.546 -7.397 1.00 0.00 H new ATOM 0 HD22 LEU A 45 19.414 7.276 -6.039 1.00 0.00 H new ATOM 0 HD23 LEU A 45 20.149 5.954 -6.977 1.00 0.00 H new ATOM 733 N ILE A 46 21.906 3.305 -2.950 1.00 0.00 N ATOM 734 CA ILE A 46 22.780 3.075 -1.783 1.00 0.00 C ATOM 735 C ILE A 46 24.254 3.083 -2.231 1.00 0.00 C ATOM 736 O ILE A 46 25.073 3.826 -1.685 1.00 0.00 O ATOM 737 CB ILE A 46 22.435 1.712 -1.068 1.00 0.00 C ATOM 738 CG1 ILE A 46 20.941 1.693 -0.626 1.00 0.00 C ATOM 739 CG2 ILE A 46 23.370 1.440 0.140 1.00 0.00 C ATOM 740 CD1 ILE A 46 20.485 0.397 0.028 1.00 0.00 C ATOM 0 H ILE A 46 21.318 2.507 -3.191 1.00 0.00 H new ATOM 0 HA ILE A 46 22.613 3.878 -1.065 1.00 0.00 H new ATOM 0 HB ILE A 46 22.598 0.911 -1.789 1.00 0.00 H new ATOM 0 HG12 ILE A 46 20.773 2.514 0.071 1.00 0.00 H new ATOM 0 HG13 ILE A 46 20.316 1.882 -1.499 1.00 0.00 H new ATOM 0 HG21 ILE A 46 23.098 0.492 0.604 1.00 0.00 H new ATOM 0 HG22 ILE A 46 24.404 1.393 -0.203 1.00 0.00 H new ATOM 0 HG23 ILE A 46 23.266 2.244 0.869 1.00 0.00 H new ATOM 0 HD11 ILE A 46 19.433 0.478 0.301 1.00 0.00 H new ATOM 0 HD12 ILE A 46 20.616 -0.429 -0.671 1.00 0.00 H new ATOM 0 HD13 ILE A 46 21.079 0.212 0.923 1.00 0.00 H new ATOM 752 N GLU A 47 24.542 2.283 -3.271 1.00 0.00 N ATOM 753 CA GLU A 47 25.892 2.133 -3.845 1.00 0.00 C ATOM 754 C GLU A 47 26.427 3.484 -4.361 1.00 0.00 C ATOM 755 O GLU A 47 27.523 3.912 -3.990 1.00 0.00 O ATOM 756 CB GLU A 47 25.852 1.097 -5.003 1.00 0.00 C ATOM 757 CG GLU A 47 27.199 0.875 -5.722 1.00 0.00 C ATOM 758 CD GLU A 47 27.122 -0.135 -6.876 1.00 0.00 C ATOM 759 OE1 GLU A 47 26.686 0.250 -7.980 1.00 0.00 O ATOM 760 OE2 GLU A 47 27.481 -1.313 -6.686 1.00 0.00 O ATOM 0 H GLU A 47 23.838 1.716 -3.743 1.00 0.00 H new ATOM 0 HA GLU A 47 26.565 1.780 -3.063 1.00 0.00 H new ATOM 0 HB2 GLU A 47 25.507 0.142 -4.605 1.00 0.00 H new ATOM 0 HB3 GLU A 47 25.114 1.422 -5.737 1.00 0.00 H new ATOM 0 HG2 GLU A 47 27.556 1.829 -6.109 1.00 0.00 H new ATOM 0 HG3 GLU A 47 27.936 0.529 -4.997 1.00 0.00 H new ATOM 767 N ALA A 48 25.610 4.158 -5.187 1.00 0.00 N ATOM 768 CA ALA A 48 25.986 5.417 -5.858 1.00 0.00 C ATOM 769 C ALA A 48 26.230 6.561 -4.856 1.00 0.00 C ATOM 770 O ALA A 48 27.098 7.404 -5.076 1.00 0.00 O ATOM 771 CB ALA A 48 24.915 5.822 -6.867 1.00 0.00 C ATOM 0 H ALA A 48 24.665 3.845 -5.410 1.00 0.00 H new ATOM 0 HA ALA A 48 26.925 5.235 -6.381 1.00 0.00 H new ATOM 0 HB1 ALA A 48 25.207 6.753 -7.354 1.00 0.00 H new ATOM 0 HB2 ALA A 48 24.807 5.039 -7.617 1.00 0.00 H new ATOM 0 HB3 ALA A 48 23.965 5.964 -6.352 1.00 0.00 H new ATOM 777 N PHE A 49 25.452 6.571 -3.761 1.00 0.00 N ATOM 778 CA PHE A 49 25.580 7.588 -2.702 1.00 0.00 C ATOM 779 C PHE A 49 26.876 7.362 -1.888 1.00 0.00 C ATOM 780 O PHE A 49 27.722 8.260 -1.782 1.00 0.00 O ATOM 781 CB PHE A 49 24.334 7.553 -1.775 1.00 0.00 C ATOM 782 CG PHE A 49 24.363 8.570 -0.634 1.00 0.00 C ATOM 783 CD1 PHE A 49 24.062 9.917 -0.861 1.00 0.00 C ATOM 784 CD2 PHE A 49 24.704 8.188 0.663 1.00 0.00 C ATOM 785 CE1 PHE A 49 24.110 10.838 0.171 1.00 0.00 C ATOM 786 CE2 PHE A 49 24.747 9.108 1.689 1.00 0.00 C ATOM 787 CZ PHE A 49 24.452 10.432 1.445 1.00 0.00 C ATOM 0 H PHE A 49 24.722 5.881 -3.585 1.00 0.00 H new ATOM 0 HA PHE A 49 25.639 8.573 -3.166 1.00 0.00 H new ATOM 0 HB2 PHE A 49 23.443 7.728 -2.378 1.00 0.00 H new ATOM 0 HB3 PHE A 49 24.240 6.553 -1.351 1.00 0.00 H new ATOM 0 HD1 PHE A 49 23.789 10.242 -1.854 1.00 0.00 H new ATOM 0 HD2 PHE A 49 24.938 7.154 0.867 1.00 0.00 H new ATOM 0 HE1 PHE A 49 23.880 11.876 -0.021 1.00 0.00 H new ATOM 0 HE2 PHE A 49 25.013 8.790 2.686 1.00 0.00 H new ATOM 0 HZ PHE A 49 24.488 11.151 2.250 1.00 0.00 H new ATOM 797 N LEU A 50 27.027 6.132 -1.361 1.00 0.00 N ATOM 798 CA LEU A 50 28.097 5.780 -0.400 1.00 0.00 C ATOM 799 C LEU A 50 29.493 5.787 -1.054 1.00 0.00 C ATOM 800 O LEU A 50 30.475 6.204 -0.433 1.00 0.00 O ATOM 801 CB LEU A 50 27.806 4.391 0.233 1.00 0.00 C ATOM 802 CG LEU A 50 26.522 4.288 1.122 1.00 0.00 C ATOM 803 CD1 LEU A 50 26.349 2.866 1.696 1.00 0.00 C ATOM 804 CD2 LEU A 50 26.525 5.349 2.236 1.00 0.00 C ATOM 0 H LEU A 50 26.411 5.351 -1.588 1.00 0.00 H new ATOM 0 HA LEU A 50 28.102 6.542 0.379 1.00 0.00 H new ATOM 0 HB2 LEU A 50 27.725 3.659 -0.571 1.00 0.00 H new ATOM 0 HB3 LEU A 50 28.665 4.105 0.839 1.00 0.00 H new ATOM 0 HG LEU A 50 25.662 4.489 0.483 1.00 0.00 H new ATOM 0 HD11 LEU A 50 25.448 2.828 2.309 1.00 0.00 H new ATOM 0 HD12 LEU A 50 26.262 2.151 0.878 1.00 0.00 H new ATOM 0 HD13 LEU A 50 27.215 2.613 2.308 1.00 0.00 H new ATOM 0 HD21 LEU A 50 25.620 5.250 2.835 1.00 0.00 H new ATOM 0 HD22 LEU A 50 27.399 5.206 2.872 1.00 0.00 H new ATOM 0 HD23 LEU A 50 26.559 6.344 1.791 1.00 0.00 H new ATOM 816 N ASN A 51 29.569 5.325 -2.317 1.00 0.00 N ATOM 817 CA ASN A 51 30.852 5.215 -3.054 1.00 0.00 C ATOM 818 C ASN A 51 31.273 6.562 -3.658 1.00 0.00 C ATOM 819 O ASN A 51 32.433 6.734 -4.028 1.00 0.00 O ATOM 820 CB ASN A 51 30.781 4.126 -4.159 1.00 0.00 C ATOM 821 CG ASN A 51 30.490 2.722 -3.618 1.00 0.00 C ATOM 822 OD1 ASN A 51 30.766 2.406 -2.460 1.00 0.00 O ATOM 823 ND2 ASN A 51 29.951 1.865 -4.463 1.00 0.00 N ATOM 0 H ASN A 51 28.757 5.020 -2.853 1.00 0.00 H new ATOM 0 HA ASN A 51 31.610 4.917 -2.330 1.00 0.00 H new ATOM 0 HB2 ASN A 51 30.006 4.398 -4.876 1.00 0.00 H new ATOM 0 HB3 ASN A 51 31.726 4.109 -4.702 1.00 0.00 H new ATOM 0 HD21 ASN A 51 29.751 0.911 -4.164 1.00 0.00 H new ATOM 0 HD22 ASN A 51 29.734 2.157 -5.416 1.00 0.00 H new ATOM 830 N SER A 52 30.323 7.517 -3.755 1.00 0.00 N ATOM 831 CA SER A 52 30.617 8.885 -4.231 1.00 0.00 C ATOM 832 C SER A 52 31.326 9.711 -3.129 1.00 0.00 C ATOM 833 O SER A 52 31.891 10.775 -3.407 1.00 0.00 O ATOM 834 CB SER A 52 29.321 9.594 -4.678 1.00 0.00 C ATOM 835 OG SER A 52 29.587 10.856 -5.277 1.00 0.00 O ATOM 0 H SER A 52 29.345 7.365 -3.509 1.00 0.00 H new ATOM 0 HA SER A 52 31.286 8.808 -5.088 1.00 0.00 H new ATOM 0 HB2 SER A 52 28.787 8.961 -5.387 1.00 0.00 H new ATOM 0 HB3 SER A 52 28.667 9.731 -3.817 1.00 0.00 H new ATOM 0 HG SER A 52 30.415 11.227 -4.905 1.00 0.00 H new ATOM 841 N GLN A 53 31.263 9.213 -1.876 1.00 0.00 N ATOM 842 CA GLN A 53 31.913 9.842 -0.717 1.00 0.00 C ATOM 843 C GLN A 53 33.429 9.598 -0.763 1.00 0.00 C ATOM 844 O GLN A 53 34.222 10.542 -0.691 1.00 0.00 O ATOM 845 CB GLN A 53 31.312 9.268 0.589 1.00 0.00 C ATOM 846 CG GLN A 53 29.796 9.486 0.741 1.00 0.00 C ATOM 847 CD GLN A 53 29.202 8.836 1.990 1.00 0.00 C ATOM 848 OE1 GLN A 53 27.939 8.448 1.920 1.00 0.00 O flip ATOM 849 NE2 GLN A 53 29.871 8.690 3.010 1.00 0.00 N flip ATOM 0 H GLN A 53 30.756 8.359 -1.644 1.00 0.00 H new ATOM 0 HA GLN A 53 31.737 10.917 -0.746 1.00 0.00 H new ATOM 0 HB2 GLN A 53 31.519 8.199 0.630 1.00 0.00 H new ATOM 0 HB3 GLN A 53 31.819 9.724 1.439 1.00 0.00 H new ATOM 0 HG2 GLN A 53 29.593 10.557 0.768 1.00 0.00 H new ATOM 0 HG3 GLN A 53 29.291 9.088 -0.139 1.00 0.00 H new ATOM 0 HE21 GLN A 53 30.843 9.000 3.031 1.00 0.00 H new ATOM 0 HE22 GLN A 53 29.455 8.259 3.835 1.00 0.00 H new ATOM 858 N LYS A 54 33.814 8.316 -0.901 1.00 0.00 N ATOM 859 CA LYS A 54 35.230 7.904 -0.975 1.00 0.00 C ATOM 860 C LYS A 54 35.847 8.294 -2.355 1.00 0.00 C ATOM 861 O LYS A 54 36.746 9.159 -2.396 1.00 0.00 O ATOM 862 CB LYS A 54 35.386 6.379 -0.662 1.00 0.00 C ATOM 863 CG LYS A 54 34.479 5.426 -1.480 1.00 0.00 C ATOM 864 CD LYS A 54 34.773 3.937 -1.193 1.00 0.00 C ATOM 865 CE LYS A 54 33.927 2.992 -2.055 1.00 0.00 C ATOM 866 NZ LYS A 54 34.266 1.568 -1.817 1.00 0.00 N ATOM 867 OXT LYS A 54 35.397 7.788 -3.402 1.00 0.00 O ATOM 0 H LYS A 54 33.156 7.539 -0.964 1.00 0.00 H new ATOM 0 HA LYS A 54 35.790 8.442 -0.210 1.00 0.00 H new ATOM 0 HB2 LYS A 54 36.425 6.097 -0.833 1.00 0.00 H new ATOM 0 HB3 LYS A 54 35.183 6.222 0.397 1.00 0.00 H new ATOM 0 HG2 LYS A 54 33.435 5.638 -1.250 1.00 0.00 H new ATOM 0 HG3 LYS A 54 34.617 5.622 -2.543 1.00 0.00 H new ATOM 0 HD2 LYS A 54 35.830 3.738 -1.372 1.00 0.00 H new ATOM 0 HD3 LYS A 54 34.584 3.730 -0.140 1.00 0.00 H new ATOM 0 HE2 LYS A 54 32.871 3.154 -1.840 1.00 0.00 H new ATOM 0 HE3 LYS A 54 34.078 3.229 -3.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 33.671 0.964 -2.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 35.267 1.407 -2.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 34.097 1.333 -0.818 1.00 0.00 H new TER 881 LYS A 54 ATOM 882 N ALA B 1 20.653 2.505 -15.314 1.00 0.00 N ATOM 883 CA ALA B 1 20.109 1.456 -14.425 1.00 0.00 C ATOM 884 C ALA B 1 18.678 1.102 -14.851 1.00 0.00 C ATOM 885 O ALA B 1 17.961 1.949 -15.400 1.00 0.00 O ATOM 886 CB ALA B 1 20.140 1.918 -12.959 1.00 0.00 C ATOM 0 H1 ALA B 1 21.432 2.111 -15.880 1.00 0.00 H new ATOM 0 H2 ALA B 1 19.903 2.846 -15.948 1.00 0.00 H new ATOM 0 H3 ALA B 1 21.008 3.296 -14.740 1.00 0.00 H new ATOM 0 HA ALA B 1 20.731 0.565 -14.510 1.00 0.00 H new ATOM 0 HB1 ALA B 1 19.736 1.132 -12.321 1.00 0.00 H new ATOM 0 HB2 ALA B 1 21.168 2.130 -12.666 1.00 0.00 H new ATOM 0 HB3 ALA B 1 19.538 2.820 -12.849 1.00 0.00 H new ATOM 894 N ARG B 2 18.282 -0.159 -14.608 1.00 0.00 N ATOM 895 CA ARG B 2 16.904 -0.659 -14.823 1.00 0.00 C ATOM 896 C ARG B 2 16.266 -1.099 -13.486 1.00 0.00 C ATOM 897 O ARG B 2 15.056 -1.367 -13.433 1.00 0.00 O ATOM 898 CB ARG B 2 16.902 -1.843 -15.829 1.00 0.00 C ATOM 899 CG ARG B 2 17.783 -3.053 -15.414 1.00 0.00 C ATOM 900 CD ARG B 2 17.539 -4.301 -16.280 1.00 0.00 C ATOM 901 NE ARG B 2 17.680 -4.033 -17.724 1.00 0.00 N ATOM 902 CZ ARG B 2 17.162 -4.792 -18.702 1.00 0.00 C ATOM 903 NH1 ARG B 2 16.462 -5.888 -18.420 1.00 0.00 N ATOM 904 NH2 ARG B 2 17.356 -4.458 -19.964 1.00 0.00 N ATOM 0 H ARG B 2 18.916 -0.874 -14.251 1.00 0.00 H new ATOM 0 HA ARG B 2 16.311 0.156 -15.240 1.00 0.00 H new ATOM 0 HB2 ARG B 2 15.876 -2.187 -15.961 1.00 0.00 H new ATOM 0 HB3 ARG B 2 17.243 -1.479 -16.798 1.00 0.00 H new ATOM 0 HG2 ARG B 2 18.834 -2.770 -15.482 1.00 0.00 H new ATOM 0 HG3 ARG B 2 17.586 -3.298 -14.370 1.00 0.00 H new ATOM 0 HD2 ARG B 2 18.242 -5.082 -15.990 1.00 0.00 H new ATOM 0 HD3 ARG B 2 16.538 -4.684 -16.083 1.00 0.00 H new ATOM 0 HE ARG B 2 18.212 -3.208 -18.000 1.00 0.00 H new ATOM 0 HH11 ARG B 2 16.313 -6.162 -17.449 1.00 0.00 H new ATOM 0 HH12 ARG B 2 16.075 -6.454 -19.175 1.00 0.00 H new ATOM 0 HH21 ARG B 2 17.898 -3.625 -20.194 1.00 0.00 H new ATOM 0 HH22 ARG B 2 16.964 -5.033 -20.710 1.00 0.00 H new ATOM 918 N THR B 3 17.099 -1.209 -12.423 1.00 0.00 N ATOM 919 CA THR B 3 16.645 -1.548 -11.062 1.00 0.00 C ATOM 920 C THR B 3 15.581 -0.549 -10.579 1.00 0.00 C ATOM 921 O THR B 3 15.828 0.666 -10.590 1.00 0.00 O ATOM 922 CB THR B 3 17.850 -1.573 -10.051 1.00 0.00 C ATOM 923 OG1 THR B 3 18.675 -0.407 -10.243 1.00 0.00 O ATOM 924 CG2 THR B 3 18.714 -2.844 -10.189 1.00 0.00 C ATOM 0 H THR B 3 18.106 -1.064 -12.491 1.00 0.00 H new ATOM 0 HA THR B 3 16.205 -2.544 -11.101 1.00 0.00 H new ATOM 0 HB THR B 3 17.425 -1.574 -9.047 1.00 0.00 H new ATOM 0 HG1 THR B 3 18.105 0.379 -10.378 1.00 0.00 H new ATOM 0 HG21 THR B 3 19.531 -2.809 -9.468 1.00 0.00 H new ATOM 0 HG22 THR B 3 18.100 -3.724 -9.999 1.00 0.00 H new ATOM 0 HG23 THR B 3 19.123 -2.898 -11.198 1.00 0.00 H new ATOM 932 N LYS B 4 14.396 -1.072 -10.196 1.00 0.00 N ATOM 933 CA LYS B 4 13.294 -0.247 -9.669 1.00 0.00 C ATOM 934 C LYS B 4 13.757 0.419 -8.372 1.00 0.00 C ATOM 935 O LYS B 4 14.018 -0.270 -7.377 1.00 0.00 O ATOM 936 CB LYS B 4 11.994 -1.076 -9.406 1.00 0.00 C ATOM 937 CG LYS B 4 11.226 -1.550 -10.664 1.00 0.00 C ATOM 938 CD LYS B 4 11.939 -2.671 -11.451 1.00 0.00 C ATOM 939 CE LYS B 4 11.106 -3.166 -12.640 1.00 0.00 C ATOM 940 NZ LYS B 4 11.768 -4.285 -13.348 1.00 0.00 N ATOM 0 H LYS B 4 14.180 -2.068 -10.244 1.00 0.00 H new ATOM 0 HA LYS B 4 13.044 0.501 -10.421 1.00 0.00 H new ATOM 0 HB2 LYS B 4 12.259 -1.952 -8.815 1.00 0.00 H new ATOM 0 HB3 LYS B 4 11.319 -0.473 -8.798 1.00 0.00 H new ATOM 0 HG2 LYS B 4 10.239 -1.903 -10.363 1.00 0.00 H new ATOM 0 HG3 LYS B 4 11.072 -0.697 -11.325 1.00 0.00 H new ATOM 0 HD2 LYS B 4 12.900 -2.305 -11.811 1.00 0.00 H new ATOM 0 HD3 LYS B 4 12.146 -3.506 -10.782 1.00 0.00 H new ATOM 0 HE2 LYS B 4 10.126 -3.488 -12.288 1.00 0.00 H new ATOM 0 HE3 LYS B 4 10.941 -2.343 -13.335 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 11.174 -4.591 -14.145 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 12.693 -3.971 -13.706 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 11.903 -5.080 -12.691 1.00 0.00 H new ATOM 954 N GLN B 5 13.915 1.746 -8.406 1.00 0.00 N ATOM 955 CA GLN B 5 14.367 2.514 -7.250 1.00 0.00 C ATOM 956 C GLN B 5 13.182 2.758 -6.314 1.00 0.00 C ATOM 957 O GLN B 5 12.597 3.837 -6.279 1.00 0.00 O ATOM 958 CB GLN B 5 15.040 3.825 -7.691 1.00 0.00 C ATOM 959 CG GLN B 5 16.163 3.632 -8.726 1.00 0.00 C ATOM 960 CD GLN B 5 16.982 4.889 -8.999 1.00 0.00 C ATOM 961 OE1 GLN B 5 18.156 4.802 -9.346 1.00 0.00 O ATOM 962 NE2 GLN B 5 16.391 6.068 -8.831 1.00 0.00 N ATOM 0 H GLN B 5 13.733 2.313 -9.234 1.00 0.00 H new ATOM 0 HA GLN B 5 15.122 1.947 -6.705 1.00 0.00 H new ATOM 0 HB2 GLN B 5 14.283 4.488 -8.110 1.00 0.00 H new ATOM 0 HB3 GLN B 5 15.450 4.325 -6.813 1.00 0.00 H new ATOM 0 HG2 GLN B 5 16.831 2.844 -8.378 1.00 0.00 H new ATOM 0 HG3 GLN B 5 15.724 3.287 -9.662 1.00 0.00 H new ATOM 0 HE21 GLN B 5 15.414 6.112 -8.542 1.00 0.00 H new ATOM 0 HE22 GLN B 5 16.915 6.928 -8.991 1.00 0.00 H new ATOM 971 N THR B 6 12.818 1.691 -5.621 1.00 0.00 N ATOM 972 CA THR B 6 11.684 1.636 -4.718 1.00 0.00 C ATOM 973 C THR B 6 12.196 1.679 -3.270 1.00 0.00 C ATOM 974 O THR B 6 13.346 1.290 -3.002 1.00 0.00 O ATOM 975 CB THR B 6 10.885 0.310 -4.982 1.00 0.00 C ATOM 976 OG1 THR B 6 10.593 0.190 -6.389 1.00 0.00 O ATOM 977 CG2 THR B 6 9.570 0.243 -4.187 1.00 0.00 C ATOM 0 H THR B 6 13.325 0.807 -5.675 1.00 0.00 H new ATOM 0 HA THR B 6 11.022 2.486 -4.884 1.00 0.00 H new ATOM 0 HB THR B 6 11.515 -0.514 -4.648 1.00 0.00 H new ATOM 0 HG1 THR B 6 10.096 -0.639 -6.550 1.00 0.00 H new ATOM 0 HG21 THR B 6 9.059 -0.694 -4.408 1.00 0.00 H new ATOM 0 HG22 THR B 6 9.787 0.296 -3.120 1.00 0.00 H new ATOM 0 HG23 THR B 6 8.931 1.080 -4.469 1.00 0.00 H new ATOM 985 N ALA B 7 11.364 2.173 -2.357 1.00 0.00 N ATOM 986 CA ALA B 7 11.633 2.111 -0.925 1.00 0.00 C ATOM 987 C ALA B 7 10.313 2.168 -0.159 1.00 0.00 C ATOM 988 O ALA B 7 9.380 2.892 -0.535 1.00 0.00 O ATOM 989 CB ALA B 7 12.583 3.230 -0.484 1.00 0.00 C ATOM 0 H ALA B 7 10.482 2.629 -2.591 1.00 0.00 H new ATOM 0 HA ALA B 7 12.132 1.168 -0.701 1.00 0.00 H new ATOM 0 HB1 ALA B 7 12.762 3.154 0.589 1.00 0.00 H new ATOM 0 HB2 ALA B 7 13.529 3.135 -1.017 1.00 0.00 H new ATOM 0 HB3 ALA B 7 12.135 4.198 -0.709 1.00 0.00 H new ATOM 995 N ARG B 8 10.251 1.366 0.894 1.00 0.00 N ATOM 996 CA ARG B 8 9.104 1.267 1.789 1.00 0.00 C ATOM 997 C ARG B 8 9.156 2.402 2.822 1.00 0.00 C ATOM 998 O ARG B 8 10.231 2.724 3.330 1.00 0.00 O ATOM 999 CB ARG B 8 9.147 -0.117 2.486 1.00 0.00 C ATOM 1000 CG ARG B 8 7.837 -0.551 3.180 1.00 0.00 C ATOM 1001 CD ARG B 8 7.894 -2.020 3.654 1.00 0.00 C ATOM 1002 NE ARG B 8 6.555 -2.592 3.906 1.00 0.00 N ATOM 1003 CZ ARG B 8 5.992 -3.574 3.186 1.00 0.00 C ATOM 1004 NH1 ARG B 8 6.615 -4.100 2.133 1.00 0.00 N ATOM 1005 NH2 ARG B 8 4.799 -4.031 3.525 1.00 0.00 N ATOM 0 H ARG B 8 11.018 0.748 1.158 1.00 0.00 H new ATOM 0 HA ARG B 8 8.173 1.361 1.231 1.00 0.00 H new ATOM 0 HB2 ARG B 8 9.412 -0.870 1.744 1.00 0.00 H new ATOM 0 HB3 ARG B 8 9.945 -0.106 3.228 1.00 0.00 H new ATOM 0 HG2 ARG B 8 7.647 0.099 4.034 1.00 0.00 H new ATOM 0 HG3 ARG B 8 7.002 -0.424 2.491 1.00 0.00 H new ATOM 0 HD2 ARG B 8 8.405 -2.620 2.901 1.00 0.00 H new ATOM 0 HD3 ARG B 8 8.487 -2.080 4.566 1.00 0.00 H new ATOM 0 HE ARG B 8 6.019 -2.212 4.686 1.00 0.00 H new ATOM 0 HH11 ARG B 8 7.536 -3.757 1.862 1.00 0.00 H new ATOM 0 HH12 ARG B 8 6.171 -4.846 1.598 1.00 0.00 H new ATOM 0 HH21 ARG B 8 4.312 -3.637 4.330 1.00 0.00 H new ATOM 0 HH22 ARG B 8 4.366 -4.777 2.982 1.00 0.00 H new HETATM 1019 N M3L B 9 8.013 3.037 3.113 1.00 0.00 N HETATM 1020 CA M3L B 9 7.926 3.985 4.235 1.00 0.00 C HETATM 1021 CB M3L B 9 6.836 5.072 4.009 1.00 0.00 C HETATM 1022 CG M3L B 9 7.248 6.144 2.964 1.00 0.00 C HETATM 1023 CD M3L B 9 6.276 7.352 2.897 1.00 0.00 C HETATM 1024 CE M3L B 9 6.787 8.474 1.945 1.00 0.00 C HETATM 1025 NZ M3L B 9 5.823 9.678 1.785 1.00 0.00 N HETATM 1026 C M3L B 9 7.713 3.230 5.555 1.00 0.00 C HETATM 1027 O M3L B 9 7.109 2.145 5.577 1.00 0.00 O HETATM 1028 CM1 M3L B 9 5.582 10.355 3.146 1.00 0.00 C HETATM 1029 CM2 M3L B 9 6.447 10.706 0.825 1.00 0.00 C HETATM 1030 CM3 M3L B 9 4.484 9.203 1.202 1.00 0.00 C HETATM 0 HM33 M3L B 9 4.653 8.747 0.227 1.00 0.00 H new HETATM 0 HM32 M3L B 9 4.035 8.470 1.872 1.00 0.00 H new HETATM 0 HM31 M3L B 9 3.812 10.054 1.093 1.00 0.00 H new HETATM 0 HM23 M3L B 9 7.398 11.052 1.230 1.00 0.00 H new HETATM 0 HM22 M3L B 9 6.614 10.242 -0.147 1.00 0.00 H new HETATM 0 HM21 M3L B 9 5.771 11.554 0.710 1.00 0.00 H new HETATM 0 HM13 M3L B 9 5.141 9.636 3.837 1.00 0.00 H new HETATM 0 HM12 M3L B 9 6.531 10.710 3.549 1.00 0.00 H new HETATM 0 HM11 M3L B 9 4.903 11.198 3.018 1.00 0.00 H new HETATM 0 HG3 M3L B 9 8.248 6.506 3.202 1.00 0.00 H new HETATM 0 HG2 M3L B 9 7.303 5.678 1.980 1.00 0.00 H new HETATM 0 HE3 M3L B 9 7.744 8.839 2.317 1.00 0.00 H new HETATM 0 HE2 M3L B 9 6.972 8.041 0.962 1.00 0.00 H new HETATM 0 HD3 M3L B 9 5.298 7.010 2.558 1.00 0.00 H new HETATM 0 HD2 M3L B 9 6.141 7.762 3.898 1.00 0.00 H new HETATM 0 HB3 M3L B 9 5.914 4.591 3.682 1.00 0.00 H new HETATM 0 HB2 M3L B 9 6.620 5.563 4.958 1.00 0.00 H new HETATM 0 HA M3L B 9 8.875 4.517 4.294 1.00 0.00 H new HETATM 0 H M3L B 9 7.395 3.142 2.308 1.00 0.00 H new ATOM 1050 N SER B 10 8.237 3.807 6.652 1.00 0.00 N ATOM 1051 CA SER B 10 8.073 3.263 8.013 1.00 0.00 C ATOM 1052 C SER B 10 6.623 3.431 8.512 1.00 0.00 C ATOM 1053 O SER B 10 6.231 2.836 9.526 1.00 0.00 O ATOM 1054 CB SER B 10 9.069 3.944 8.980 1.00 0.00 C ATOM 1055 OG SER B 10 10.415 3.694 8.596 1.00 0.00 O ATOM 0 H SER B 10 8.787 4.665 6.620 1.00 0.00 H new ATOM 0 HA SER B 10 8.288 2.195 7.983 1.00 0.00 H new ATOM 0 HB2 SER B 10 8.887 5.019 8.996 1.00 0.00 H new ATOM 0 HB3 SER B 10 8.904 3.578 9.993 1.00 0.00 H new ATOM 0 HG SER B 10 10.590 4.110 7.726 1.00 0.00 H new ATOM 1061 N THR B 11 5.840 4.251 7.787 1.00 0.00 N ATOM 1062 CA THR B 11 4.420 4.455 8.049 1.00 0.00 C ATOM 1063 C THR B 11 3.665 4.682 6.722 1.00 0.00 C ATOM 1064 O THR B 11 3.640 5.787 6.159 1.00 0.00 O ATOM 1065 CB THR B 11 4.189 5.628 9.068 1.00 0.00 C ATOM 1066 OG1 THR B 11 2.785 5.890 9.215 1.00 0.00 O ATOM 1067 CG2 THR B 11 4.942 6.918 8.678 1.00 0.00 C ATOM 0 H THR B 11 6.188 4.793 6.996 1.00 0.00 H new ATOM 0 HA THR B 11 4.017 3.556 8.515 1.00 0.00 H new ATOM 0 HB THR B 11 4.600 5.303 10.024 1.00 0.00 H new ATOM 0 HG1 THR B 11 2.285 5.051 9.133 1.00 0.00 H new ATOM 0 HG21 THR B 11 4.744 7.693 9.419 1.00 0.00 H new ATOM 0 HG22 THR B 11 6.013 6.717 8.640 1.00 0.00 H new ATOM 0 HG23 THR B 11 4.601 7.256 7.699 1.00 0.00 H new ATOM 1075 N GLY B 12 3.112 3.586 6.179 1.00 0.00 N ATOM 1076 CA GLY B 12 2.160 3.642 5.070 1.00 0.00 C ATOM 1077 C GLY B 12 0.735 3.594 5.608 1.00 0.00 C ATOM 1078 O GLY B 12 -0.063 2.714 5.249 1.00 0.00 O ATOM 0 H GLY B 12 3.315 2.639 6.499 1.00 0.00 H new ATOM 0 HA2 GLY B 12 2.311 4.556 4.496 1.00 0.00 H new ATOM 0 HA3 GLY B 12 2.330 2.807 4.391 1.00 0.00 H new ATOM 1082 N GLY B 13 0.437 4.559 6.496 1.00 0.00 N ATOM 1083 CA GLY B 13 -0.765 4.540 7.327 1.00 0.00 C ATOM 1084 C GLY B 13 -0.467 3.993 8.721 1.00 0.00 C ATOM 1085 O GLY B 13 0.708 3.809 9.082 1.00 0.00 O ATOM 0 H GLY B 13 1.030 5.374 6.653 1.00 0.00 H new ATOM 0 HA2 GLY B 13 -1.169 5.549 7.409 1.00 0.00 H new ATOM 0 HA3 GLY B 13 -1.530 3.928 6.850 1.00 0.00 H new ATOM 1089 N LYS B 14 -1.528 3.749 9.508 1.00 0.00 N ATOM 1090 CA LYS B 14 -1.416 3.255 10.896 1.00 0.00 C ATOM 1091 C LYS B 14 -2.539 2.241 11.190 1.00 0.00 C ATOM 1092 O LYS B 14 -3.598 2.272 10.547 1.00 0.00 O ATOM 1093 CB LYS B 14 -1.466 4.447 11.895 1.00 0.00 C ATOM 1094 CG LYS B 14 -2.794 5.256 11.903 1.00 0.00 C ATOM 1095 CD LYS B 14 -2.694 6.591 12.681 1.00 0.00 C ATOM 1096 CE LYS B 14 -1.690 7.579 12.049 1.00 0.00 C ATOM 1097 NZ LYS B 14 -1.622 8.859 12.794 1.00 0.00 N ATOM 0 H LYS B 14 -2.491 3.888 9.202 1.00 0.00 H new ATOM 0 HA LYS B 14 -0.459 2.749 11.018 1.00 0.00 H new ATOM 0 HB2 LYS B 14 -1.288 4.064 12.900 1.00 0.00 H new ATOM 0 HB3 LYS B 14 -0.647 5.128 11.663 1.00 0.00 H new ATOM 0 HG2 LYS B 14 -3.091 5.464 10.875 1.00 0.00 H new ATOM 0 HG3 LYS B 14 -3.581 4.645 12.344 1.00 0.00 H new ATOM 0 HD2 LYS B 14 -3.679 7.057 12.722 1.00 0.00 H new ATOM 0 HD3 LYS B 14 -2.396 6.385 13.709 1.00 0.00 H new ATOM 0 HE2 LYS B 14 -0.701 7.122 12.023 1.00 0.00 H new ATOM 0 HE3 LYS B 14 -1.977 7.776 11.016 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 -0.936 9.492 12.335 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 -2.560 9.309 12.798 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 -1.322 8.675 13.773 1.00 0.00 H new ATOM 1111 N ALA B 15 -2.291 1.354 12.170 1.00 0.00 N ATOM 1112 CA ALA B 15 -3.204 0.256 12.542 1.00 0.00 C ATOM 1113 C ALA B 15 -3.222 0.081 14.077 1.00 0.00 C ATOM 1114 O ALA B 15 -2.138 -0.138 14.666 1.00 0.00 O ATOM 1115 CB ALA B 15 -2.773 -1.043 11.835 1.00 0.00 C ATOM 1116 OXT ALA B 15 -4.310 0.185 14.693 1.00 0.00 O ATOM 0 H ALA B 15 -1.441 1.379 12.733 1.00 0.00 H new ATOM 0 HA ALA B 15 -4.217 0.499 12.220 1.00 0.00 H new ATOM 0 HB1 ALA B 15 -3.450 -1.851 12.113 1.00 0.00 H new ATOM 0 HB2 ALA B 15 -2.806 -0.898 10.755 1.00 0.00 H new ATOM 0 HB3 ALA B 15 -1.758 -1.301 12.136 1.00 0.00 H new TER 1122 ALA B 15