USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 489 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 Single : A 0 MET CE :methyl -165:sc=-0.00855 (180deg=-0.187) USER MOD Single : A 0 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ -138:sc= 0.632 (180deg=-1.34) USER MOD Single : A 6 LYS NZ :NH3+ -129:sc= 0 (180deg=-0.0381) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 13 SER OG : rot -160:sc= -0.868 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0.418 USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot -110:sc= -0.898 USER MOD Single : A 28 HIS :FLIP no HD1:sc= -6.55! C(o=-7.2!,f=-6.5!) USER MOD Single : A 29 LYS NZ :NH3+ -134:sc= -0.536 (180deg=-5.2!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -2.24! C(o=-2.2!,f=-8!) USER MOD Single : A 40 HIS :FLIP no HD1:sc= -1.19 F(o=-1.7,f=-1.2) USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 ASN : amide:sc= -0.396 K(o=-0.4,f=-1.8) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 4.364 -8.027 -9.355 1.00 0.00 N ATOM 2 CA MET A 0 4.769 -9.130 -8.445 1.00 0.00 C ATOM 3 C MET A 0 3.755 -9.318 -7.321 1.00 0.00 C ATOM 4 O MET A 0 3.291 -10.430 -7.070 1.00 0.00 O ATOM 5 CB MET A 0 6.145 -8.801 -7.863 1.00 0.00 C ATOM 6 CG MET A 0 6.999 -10.029 -7.592 1.00 0.00 C ATOM 7 SD MET A 0 7.977 -10.524 -9.023 1.00 0.00 S ATOM 8 CE MET A 0 7.067 -11.965 -9.573 1.00 0.00 C ATOM 0 H1 MET A 0 5.072 -7.922 -10.110 1.00 0.00 H new ATOM 0 H2 MET A 0 3.439 -8.247 -9.776 1.00 0.00 H new ATOM 0 H3 MET A 0 4.297 -7.140 -8.817 1.00 0.00 H new ATOM 0 HA MET A 0 4.811 -10.062 -9.009 1.00 0.00 H new ATOM 0 HB2 MET A 0 6.675 -8.145 -8.553 1.00 0.00 H new ATOM 0 HB3 MET A 0 6.014 -8.247 -6.933 1.00 0.00 H new ATOM 0 HG2 MET A 0 7.666 -9.825 -6.754 1.00 0.00 H new ATOM 0 HG3 MET A 0 6.355 -10.856 -7.293 1.00 0.00 H new ATOM 0 HE1 MET A 0 7.678 -12.536 -10.272 1.00 0.00 H new ATOM 0 HE2 MET A 0 6.820 -12.589 -8.714 1.00 0.00 H new ATOM 0 HE3 MET A 0 6.149 -11.648 -10.068 1.00 0.00 H new ATOM 20 N LYS A 1 3.416 -8.224 -6.647 1.00 0.00 N ATOM 21 CA LYS A 1 2.457 -8.269 -5.549 1.00 0.00 C ATOM 22 C LYS A 1 1.480 -7.101 -5.633 1.00 0.00 C ATOM 23 O LYS A 1 1.886 -5.942 -5.723 1.00 0.00 O ATOM 24 CB LYS A 1 3.188 -8.245 -4.205 1.00 0.00 C ATOM 25 CG LYS A 1 2.691 -9.296 -3.225 1.00 0.00 C ATOM 26 CD LYS A 1 3.170 -10.686 -3.609 1.00 0.00 C ATOM 27 CE LYS A 1 4.389 -11.099 -2.799 1.00 0.00 C ATOM 28 NZ LYS A 1 5.611 -10.356 -3.217 1.00 0.00 N ATOM 0 H LYS A 1 3.791 -7.296 -6.842 1.00 0.00 H new ATOM 0 HA LYS A 1 1.892 -9.197 -5.630 1.00 0.00 H new ATOM 0 HB2 LYS A 1 4.254 -8.396 -4.377 1.00 0.00 H new ATOM 0 HB3 LYS A 1 3.074 -7.258 -3.756 1.00 0.00 H new ATOM 0 HG2 LYS A 1 3.041 -9.054 -2.222 1.00 0.00 H new ATOM 0 HG3 LYS A 1 1.602 -9.281 -3.195 1.00 0.00 H new ATOM 0 HD2 LYS A 1 2.366 -11.405 -3.451 1.00 0.00 H new ATOM 0 HD3 LYS A 1 3.413 -10.708 -4.671 1.00 0.00 H new ATOM 0 HE2 LYS A 1 4.199 -10.920 -1.741 1.00 0.00 H new ATOM 0 HE3 LYS A 1 4.557 -12.170 -2.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 6.419 -11.010 -3.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 5.459 -9.939 -4.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 5.809 -9.600 -2.531 1.00 0.00 H new ATOM 42 N ALA A 2 0.189 -7.415 -5.601 1.00 0.00 N ATOM 43 CA ALA A 2 -0.848 -6.395 -5.672 1.00 0.00 C ATOM 44 C ALA A 2 -1.847 -6.553 -4.531 1.00 0.00 C ATOM 45 O ALA A 2 -2.448 -7.613 -4.362 1.00 0.00 O ATOM 46 CB ALA A 2 -1.561 -6.459 -7.015 1.00 0.00 C ATOM 0 H ALA A 2 -0.163 -8.369 -5.526 1.00 0.00 H new ATOM 0 HA ALA A 2 -0.373 -5.419 -5.573 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -2.333 -5.691 -7.054 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -0.842 -6.291 -7.817 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -2.019 -7.441 -7.137 1.00 0.00 H new ATOM 52 N ALA A 3 -2.018 -5.492 -3.750 1.00 0.00 N ATOM 53 CA ALA A 3 -2.942 -5.517 -2.623 1.00 0.00 C ATOM 54 C ALA A 3 -4.094 -4.540 -2.836 1.00 0.00 C ATOM 55 O ALA A 3 -3.901 -3.439 -3.351 1.00 0.00 O ATOM 56 CB ALA A 3 -2.206 -5.197 -1.332 1.00 0.00 C ATOM 0 H ALA A 3 -1.530 -4.606 -3.877 1.00 0.00 H new ATOM 0 HA ALA A 3 -3.361 -6.520 -2.550 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -2.908 -5.219 -0.498 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -1.423 -5.937 -1.167 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -1.759 -4.205 -1.404 1.00 0.00 H new ATOM 62 N ARG A 4 -5.293 -4.953 -2.437 1.00 0.00 N ATOM 63 CA ARG A 4 -6.478 -4.116 -2.583 1.00 0.00 C ATOM 64 C ARG A 4 -6.847 -3.459 -1.257 1.00 0.00 C ATOM 65 O ARG A 4 -6.886 -4.115 -0.217 1.00 0.00 O ATOM 66 CB ARG A 4 -7.653 -4.949 -3.099 1.00 0.00 C ATOM 67 CG ARG A 4 -8.879 -4.122 -3.448 1.00 0.00 C ATOM 68 CD ARG A 4 -10.133 -4.980 -3.498 1.00 0.00 C ATOM 69 NE ARG A 4 -10.431 -5.433 -4.854 1.00 0.00 N ATOM 70 CZ ARG A 4 -10.759 -4.617 -5.853 1.00 0.00 C ATOM 71 NH1 ARG A 4 -10.841 -3.308 -5.649 1.00 0.00 N ATOM 72 NH2 ARG A 4 -11.007 -5.110 -7.058 1.00 0.00 N ATOM 0 H ARG A 4 -5.469 -5.862 -2.010 1.00 0.00 H new ATOM 0 HA ARG A 4 -6.253 -3.331 -3.305 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -7.335 -5.502 -3.983 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -7.925 -5.685 -2.343 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -9.008 -3.330 -2.710 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -8.730 -3.637 -4.413 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -10.007 -5.845 -2.846 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -10.978 -4.410 -3.112 1.00 0.00 H new ATOM 0 HE ARG A 4 -10.385 -6.434 -5.047 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -10.652 -2.923 -4.723 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -11.093 -2.687 -6.418 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -10.947 -6.115 -7.220 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -11.258 -4.484 -7.823 1.00 0.00 H new ATOM 86 N LEU A 5 -7.115 -2.158 -1.303 1.00 0.00 N ATOM 87 CA LEU A 5 -7.480 -1.410 -0.105 1.00 0.00 C ATOM 88 C LEU A 5 -8.985 -1.472 0.139 1.00 0.00 C ATOM 89 O LEU A 5 -9.779 -1.453 -0.802 1.00 0.00 O ATOM 90 CB LEU A 5 -7.027 0.048 -0.234 1.00 0.00 C ATOM 91 CG LEU A 5 -6.075 0.529 0.863 1.00 0.00 C ATOM 92 CD1 LEU A 5 -6.793 0.593 2.202 1.00 0.00 C ATOM 93 CD2 LEU A 5 -4.861 -0.383 0.950 1.00 0.00 C ATOM 0 H LEU A 5 -7.086 -1.600 -2.156 1.00 0.00 H new ATOM 0 HA LEU A 5 -6.976 -1.865 0.748 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -6.539 0.177 -1.200 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -7.909 0.688 -0.235 1.00 0.00 H new ATOM 0 HG LEU A 5 -5.734 1.533 0.609 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -6.100 0.937 2.970 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -7.631 1.286 2.133 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -7.163 -0.398 2.464 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -4.194 -0.027 1.735 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -5.184 -1.398 1.181 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -4.334 -0.379 -0.004 1.00 0.00 H new ATOM 105 N LYS A 6 -9.371 -1.546 1.409 1.00 0.00 N ATOM 106 CA LYS A 6 -10.781 -1.609 1.777 1.00 0.00 C ATOM 107 C LYS A 6 -11.107 -0.619 2.894 1.00 0.00 C ATOM 108 O LYS A 6 -12.131 -0.744 3.565 1.00 0.00 O ATOM 109 CB LYS A 6 -11.149 -3.028 2.217 1.00 0.00 C ATOM 110 CG LYS A 6 -11.082 -4.049 1.094 1.00 0.00 C ATOM 111 CD LYS A 6 -12.170 -3.812 0.060 1.00 0.00 C ATOM 112 CE LYS A 6 -13.354 -4.741 0.274 1.00 0.00 C ATOM 113 NZ LYS A 6 -14.389 -4.129 1.152 1.00 0.00 N ATOM 0 H LYS A 6 -8.727 -1.564 2.200 1.00 0.00 H new ATOM 0 HA LYS A 6 -11.368 -1.339 0.899 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -10.477 -3.337 3.018 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -12.157 -3.021 2.631 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -10.105 -3.999 0.613 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -11.183 -5.053 1.507 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -12.505 -2.776 0.113 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -11.763 -3.964 -0.940 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -13.798 -4.992 -0.690 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -13.007 -5.674 0.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -14.632 -4.792 1.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -14.019 -3.248 1.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -15.240 -3.919 0.592 1.00 0.00 H new ATOM 127 N PHE A 7 -10.231 0.364 3.091 1.00 0.00 N ATOM 128 CA PHE A 7 -10.434 1.370 4.128 1.00 0.00 C ATOM 129 C PHE A 7 -9.706 2.665 3.780 1.00 0.00 C ATOM 130 O PHE A 7 -8.484 2.681 3.629 1.00 0.00 O ATOM 131 CB PHE A 7 -9.945 0.847 5.480 1.00 0.00 C ATOM 132 CG PHE A 7 -10.416 -0.545 5.793 1.00 0.00 C ATOM 133 CD1 PHE A 7 -9.712 -1.647 5.335 1.00 0.00 C ATOM 134 CD2 PHE A 7 -11.563 -0.750 6.544 1.00 0.00 C ATOM 135 CE1 PHE A 7 -10.143 -2.928 5.620 1.00 0.00 C ATOM 136 CE2 PHE A 7 -11.999 -2.029 6.832 1.00 0.00 C ATOM 137 CZ PHE A 7 -11.288 -3.120 6.369 1.00 0.00 C ATOM 0 H PHE A 7 -9.376 0.484 2.547 1.00 0.00 H new ATOM 0 HA PHE A 7 -11.502 1.578 4.191 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -8.855 0.865 5.494 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -10.285 1.522 6.266 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -8.816 -1.503 4.749 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -12.122 0.099 6.908 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -9.585 -3.779 5.258 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -12.894 -2.176 7.418 1.00 0.00 H new ATOM 0 HZ PHE A 7 -11.627 -4.121 6.592 1.00 0.00 H new ATOM 147 N ASP A 8 -10.464 3.750 3.656 1.00 0.00 N ATOM 148 CA ASP A 8 -9.890 5.050 3.327 1.00 0.00 C ATOM 149 C ASP A 8 -8.961 5.530 4.437 1.00 0.00 C ATOM 150 O ASP A 8 -9.413 5.922 5.513 1.00 0.00 O ATOM 151 CB ASP A 8 -10.999 6.078 3.096 1.00 0.00 C ATOM 152 CG ASP A 8 -11.921 6.213 4.292 1.00 0.00 C ATOM 153 OD1 ASP A 8 -12.531 5.198 4.689 1.00 0.00 O ATOM 154 OD2 ASP A 8 -12.032 7.334 4.832 1.00 0.00 O ATOM 0 H ASP A 8 -11.477 3.755 3.778 1.00 0.00 H new ATOM 0 HA ASP A 8 -9.309 4.941 2.411 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -10.552 7.047 2.874 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -11.582 5.789 2.222 1.00 0.00 H new ATOM 159 N PHE A 9 -7.660 5.497 4.168 1.00 0.00 N ATOM 160 CA PHE A 9 -6.666 5.928 5.144 1.00 0.00 C ATOM 161 C PHE A 9 -6.005 7.232 4.709 1.00 0.00 C ATOM 162 O PHE A 9 -5.635 7.394 3.546 1.00 0.00 O ATOM 163 CB PHE A 9 -5.603 4.844 5.333 1.00 0.00 C ATOM 164 CG PHE A 9 -4.758 5.039 6.559 1.00 0.00 C ATOM 165 CD1 PHE A 9 -5.318 4.955 7.824 1.00 0.00 C ATOM 166 CD2 PHE A 9 -3.403 5.304 6.446 1.00 0.00 C ATOM 167 CE1 PHE A 9 -4.542 5.134 8.953 1.00 0.00 C ATOM 168 CE2 PHE A 9 -2.621 5.484 7.572 1.00 0.00 C ATOM 169 CZ PHE A 9 -3.192 5.398 8.827 1.00 0.00 C ATOM 0 H PHE A 9 -7.269 5.176 3.282 1.00 0.00 H new ATOM 0 HA PHE A 9 -7.176 6.098 6.092 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -6.093 3.872 5.390 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -4.957 4.824 4.456 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -6.373 4.747 7.928 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -2.952 5.371 5.467 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.991 5.068 9.933 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -1.566 5.691 7.471 1.00 0.00 H new ATOM 0 HZ PHE A 9 -2.584 5.537 9.708 1.00 0.00 H new ATOM 179 N GLN A 10 -5.858 8.159 5.651 1.00 0.00 N ATOM 180 CA GLN A 10 -5.240 9.448 5.364 1.00 0.00 C ATOM 181 C GLN A 10 -3.792 9.476 5.844 1.00 0.00 C ATOM 182 O GLN A 10 -3.516 9.268 7.025 1.00 0.00 O ATOM 183 CB GLN A 10 -6.031 10.576 6.029 1.00 0.00 C ATOM 184 CG GLN A 10 -5.667 11.960 5.513 1.00 0.00 C ATOM 185 CD GLN A 10 -6.881 12.761 5.084 1.00 0.00 C ATOM 186 OE1 GLN A 10 -7.473 13.487 5.882 1.00 0.00 O ATOM 187 NE2 GLN A 10 -7.257 12.633 3.817 1.00 0.00 N ATOM 0 H GLN A 10 -6.158 8.041 6.619 1.00 0.00 H new ATOM 0 HA GLN A 10 -5.249 9.595 4.284 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -7.096 10.406 5.869 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -5.861 10.542 7.105 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -5.133 12.505 6.292 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -4.985 11.861 4.669 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -6.736 12.019 3.190 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -8.066 13.148 3.471 1.00 0.00 H new ATOM 196 N ALA A 11 -2.872 9.732 4.920 1.00 0.00 N ATOM 197 CA ALA A 11 -1.453 9.785 5.250 1.00 0.00 C ATOM 198 C ALA A 11 -1.159 10.914 6.231 1.00 0.00 C ATOM 199 O ALA A 11 -1.255 12.092 5.885 1.00 0.00 O ATOM 200 CB ALA A 11 -0.622 9.953 3.987 1.00 0.00 C ATOM 0 H ALA A 11 -3.084 9.906 3.937 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.182 8.843 5.727 1.00 0.00 H new ATOM 0 HB1 ALA A 11 0.435 9.991 4.249 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -0.800 9.110 3.319 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -0.905 10.879 3.486 1.00 0.00 H new ATOM 206 N GLN A 12 -0.799 10.547 7.455 1.00 0.00 N ATOM 207 CA GLN A 12 -0.488 11.525 8.488 1.00 0.00 C ATOM 208 C GLN A 12 0.838 12.216 8.195 1.00 0.00 C ATOM 209 O GLN A 12 0.965 13.431 8.348 1.00 0.00 O ATOM 210 CB GLN A 12 -0.427 10.849 9.859 1.00 0.00 C ATOM 211 CG GLN A 12 -1.405 9.695 10.023 1.00 0.00 C ATOM 212 CD GLN A 12 -2.116 9.719 11.362 1.00 0.00 C ATOM 213 OE1 GLN A 12 -2.857 10.654 11.668 1.00 0.00 O ATOM 214 NE2 GLN A 12 -1.893 8.688 12.170 1.00 0.00 N ATOM 0 H GLN A 12 -0.715 9.576 7.756 1.00 0.00 H new ATOM 0 HA GLN A 12 -1.279 12.275 8.494 1.00 0.00 H new ATOM 0 HB2 GLN A 12 0.585 10.481 10.027 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.627 11.594 10.629 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -2.144 9.733 9.223 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -0.869 8.752 9.917 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -1.271 7.935 11.876 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -2.343 8.650 13.084 1.00 0.00 H new ATOM 223 N SER A 13 1.824 11.431 7.774 1.00 0.00 N ATOM 224 CA SER A 13 3.145 11.964 7.461 1.00 0.00 C ATOM 225 C SER A 13 3.231 12.389 5.996 1.00 0.00 C ATOM 226 O SER A 13 2.501 11.875 5.148 1.00 0.00 O ATOM 227 CB SER A 13 4.223 10.922 7.765 1.00 0.00 C ATOM 228 OG SER A 13 3.775 9.616 7.448 1.00 0.00 O ATOM 0 H SER A 13 1.733 10.424 7.642 1.00 0.00 H new ATOM 0 HA SER A 13 3.311 12.842 8.085 1.00 0.00 H new ATOM 0 HB2 SER A 13 5.124 11.149 7.195 1.00 0.00 H new ATOM 0 HB3 SER A 13 4.493 10.971 8.820 1.00 0.00 H new ATOM 0 HG SER A 13 4.321 8.958 7.927 1.00 0.00 H new ATOM 234 N PRO A 14 4.130 13.336 5.680 1.00 0.00 N ATOM 235 CA PRO A 14 4.311 13.829 4.310 1.00 0.00 C ATOM 236 C PRO A 14 4.903 12.770 3.387 1.00 0.00 C ATOM 237 O PRO A 14 4.664 12.781 2.180 1.00 0.00 O ATOM 238 CB PRO A 14 5.284 14.999 4.475 1.00 0.00 C ATOM 239 CG PRO A 14 6.021 14.706 5.736 1.00 0.00 C ATOM 240 CD PRO A 14 5.042 13.999 6.631 1.00 0.00 C ATOM 0 HA PRO A 14 3.363 14.109 3.851 1.00 0.00 H new ATOM 0 HB2 PRO A 14 5.965 15.070 3.627 1.00 0.00 H new ATOM 0 HB3 PRO A 14 4.753 15.949 4.539 1.00 0.00 H new ATOM 0 HG2 PRO A 14 6.894 14.082 5.542 1.00 0.00 H new ATOM 0 HG3 PRO A 14 6.382 15.624 6.200 1.00 0.00 H new ATOM 0 HD2 PRO A 14 5.539 13.278 7.281 1.00 0.00 H new ATOM 0 HD3 PRO A 14 4.511 14.698 7.277 1.00 0.00 H new ATOM 248 N LYS A 15 5.677 11.856 3.964 1.00 0.00 N ATOM 249 CA LYS A 15 6.304 10.788 3.193 1.00 0.00 C ATOM 250 C LYS A 15 5.293 9.700 2.846 1.00 0.00 C ATOM 251 O LYS A 15 5.422 9.022 1.827 1.00 0.00 O ATOM 252 CB LYS A 15 7.472 10.185 3.975 1.00 0.00 C ATOM 253 CG LYS A 15 8.327 9.233 3.153 1.00 0.00 C ATOM 254 CD LYS A 15 9.433 8.612 3.991 1.00 0.00 C ATOM 255 CE LYS A 15 10.231 7.593 3.194 1.00 0.00 C ATOM 256 NZ LYS A 15 10.940 6.628 4.078 1.00 0.00 N ATOM 0 H LYS A 15 5.885 11.833 4.962 1.00 0.00 H new ATOM 0 HA LYS A 15 6.680 11.217 2.264 1.00 0.00 H new ATOM 0 HB2 LYS A 15 8.101 10.991 4.352 1.00 0.00 H new ATOM 0 HB3 LYS A 15 7.082 9.653 4.842 1.00 0.00 H new ATOM 0 HG2 LYS A 15 7.699 8.445 2.737 1.00 0.00 H new ATOM 0 HG3 LYS A 15 8.765 9.770 2.311 1.00 0.00 H new ATOM 0 HD2 LYS A 15 10.099 9.395 4.353 1.00 0.00 H new ATOM 0 HD3 LYS A 15 9.000 8.131 4.868 1.00 0.00 H new ATOM 0 HE2 LYS A 15 9.562 7.050 2.527 1.00 0.00 H new ATOM 0 HE3 LYS A 15 10.956 8.111 2.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 11.472 5.950 3.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 11.597 7.143 4.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 10.246 6.115 4.659 1.00 0.00 H new ATOM 270 N GLU A 16 4.288 9.538 3.700 1.00 0.00 N ATOM 271 CA GLU A 16 3.256 8.532 3.483 1.00 0.00 C ATOM 272 C GLU A 16 2.382 8.899 2.288 1.00 0.00 C ATOM 273 O GLU A 16 2.517 9.981 1.717 1.00 0.00 O ATOM 274 CB GLU A 16 2.391 8.378 4.736 1.00 0.00 C ATOM 275 CG GLU A 16 2.869 7.281 5.673 1.00 0.00 C ATOM 276 CD GLU A 16 1.754 6.724 6.535 1.00 0.00 C ATOM 277 OE1 GLU A 16 1.192 7.491 7.346 1.00 0.00 O ATOM 278 OE2 GLU A 16 1.442 5.523 6.401 1.00 0.00 O ATOM 0 H GLU A 16 4.167 10.091 4.549 1.00 0.00 H new ATOM 0 HA GLU A 16 3.748 7.582 3.272 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.376 9.325 5.276 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.365 8.166 4.435 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.308 6.474 5.087 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.657 7.674 6.315 1.00 0.00 H new ATOM 285 N LEU A 17 1.486 7.991 1.915 1.00 0.00 N ATOM 286 CA LEU A 17 0.590 8.219 0.787 1.00 0.00 C ATOM 287 C LEU A 17 -0.853 7.897 1.165 1.00 0.00 C ATOM 288 O LEU A 17 -1.125 6.883 1.807 1.00 0.00 O ATOM 289 CB LEU A 17 1.019 7.372 -0.413 1.00 0.00 C ATOM 290 CG LEU A 17 0.104 7.470 -1.634 1.00 0.00 C ATOM 291 CD1 LEU A 17 0.369 8.758 -2.397 1.00 0.00 C ATOM 292 CD2 LEU A 17 0.294 6.263 -2.540 1.00 0.00 C ATOM 0 H LEU A 17 1.361 7.090 2.377 1.00 0.00 H new ATOM 0 HA LEU A 17 0.648 9.273 0.516 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.025 7.670 -0.707 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.073 6.329 -0.101 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.930 7.482 -1.290 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.291 8.810 -3.263 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.182 9.612 -1.746 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.407 8.776 -2.730 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.365 6.349 -3.404 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.330 6.220 -2.877 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.053 5.353 -1.990 1.00 0.00 H new ATOM 304 N THR A 18 -1.773 8.767 0.761 1.00 0.00 N ATOM 305 CA THR A 18 -3.188 8.576 1.057 1.00 0.00 C ATOM 306 C THR A 18 -3.845 7.687 0.006 1.00 0.00 C ATOM 307 O THR A 18 -3.815 7.992 -1.186 1.00 0.00 O ATOM 308 CB THR A 18 -3.903 9.927 1.119 1.00 0.00 C ATOM 309 OG1 THR A 18 -3.322 10.757 2.110 1.00 0.00 O ATOM 310 CG2 THR A 18 -5.381 9.812 1.428 1.00 0.00 C ATOM 0 H THR A 18 -1.564 9.611 0.228 1.00 0.00 H new ATOM 0 HA THR A 18 -3.270 8.085 2.027 1.00 0.00 H new ATOM 0 HB THR A 18 -3.789 10.358 0.124 1.00 0.00 H new ATOM 0 HG1 THR A 18 -3.792 11.617 2.133 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.825 10.807 1.457 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.869 9.219 0.655 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.514 9.327 2.395 1.00 0.00 H new ATOM 318 N LEU A 19 -4.436 6.585 0.457 1.00 0.00 N ATOM 319 CA LEU A 19 -5.098 5.650 -0.445 1.00 0.00 C ATOM 320 C LEU A 19 -6.522 5.362 0.020 1.00 0.00 C ATOM 321 O LEU A 19 -6.812 5.387 1.216 1.00 0.00 O ATOM 322 CB LEU A 19 -4.303 4.346 -0.531 1.00 0.00 C ATOM 323 CG LEU A 19 -4.822 3.338 -1.556 1.00 0.00 C ATOM 324 CD1 LEU A 19 -4.577 3.843 -2.970 1.00 0.00 C ATOM 325 CD2 LEU A 19 -4.162 1.983 -1.350 1.00 0.00 C ATOM 0 H LEU A 19 -4.470 6.318 1.441 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.144 6.106 -1.434 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.267 4.585 -0.772 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.301 3.874 0.451 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.897 3.222 -1.414 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.953 3.113 -3.687 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.095 4.791 -3.112 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.508 3.987 -3.125 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.543 1.277 -2.088 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.083 2.083 -1.466 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.387 1.617 -0.348 1.00 0.00 H new ATOM 337 N GLN A 20 -7.406 5.089 -0.933 1.00 0.00 N ATOM 338 CA GLN A 20 -8.801 4.796 -0.622 1.00 0.00 C ATOM 339 C GLN A 20 -9.162 3.371 -1.028 1.00 0.00 C ATOM 340 O GLN A 20 -8.491 2.764 -1.863 1.00 0.00 O ATOM 341 CB GLN A 20 -9.724 5.788 -1.331 1.00 0.00 C ATOM 342 CG GLN A 20 -10.977 6.123 -0.540 1.00 0.00 C ATOM 343 CD GLN A 20 -11.795 7.226 -1.182 1.00 0.00 C ATOM 344 OE1 GLN A 20 -11.250 8.141 -1.799 1.00 0.00 O ATOM 345 NE2 GLN A 20 -13.113 7.145 -1.038 1.00 0.00 N ATOM 0 H GLN A 20 -7.182 5.064 -1.928 1.00 0.00 H new ATOM 0 HA GLN A 20 -8.933 4.893 0.456 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -9.173 6.707 -1.529 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -10.014 5.375 -2.297 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -11.592 5.228 -0.445 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -10.695 6.425 0.469 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -13.522 6.369 -0.518 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -13.716 7.859 -1.447 1.00 0.00 H new ATOM 354 N LYS A 21 -10.226 2.843 -0.432 1.00 0.00 N ATOM 355 CA LYS A 21 -10.679 1.494 -0.729 1.00 0.00 C ATOM 356 C LYS A 21 -11.027 1.348 -2.207 1.00 0.00 C ATOM 357 O LYS A 21 -11.624 2.243 -2.805 1.00 0.00 O ATOM 358 CB LYS A 21 -11.895 1.155 0.131 1.00 0.00 C ATOM 359 CG LYS A 21 -13.082 2.074 -0.104 1.00 0.00 C ATOM 360 CD LYS A 21 -14.169 1.857 0.936 1.00 0.00 C ATOM 361 CE LYS A 21 -15.555 1.902 0.311 1.00 0.00 C ATOM 362 NZ LYS A 21 -15.991 0.561 -0.168 1.00 0.00 N ATOM 0 H LYS A 21 -10.791 3.333 0.262 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.870 0.801 -0.500 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -12.197 0.127 -0.070 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.611 1.204 1.182 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.751 3.112 -0.075 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -13.489 1.897 -1.100 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -14.020 0.894 1.424 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.092 2.622 1.709 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -16.271 2.277 1.042 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -15.555 2.603 -0.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -16.940 0.634 -0.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -15.322 0.214 -0.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -16.016 -0.102 0.633 1.00 0.00 H new ATOM 376 N GLY A 22 -10.650 0.215 -2.790 1.00 0.00 N ATOM 377 CA GLY A 22 -10.931 -0.026 -4.193 1.00 0.00 C ATOM 378 C GLY A 22 -9.741 0.262 -5.090 1.00 0.00 C ATOM 379 O GLY A 22 -9.785 -0.005 -6.291 1.00 0.00 O ATOM 0 H GLY A 22 -10.155 -0.540 -2.316 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -11.236 -1.064 -4.324 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -11.772 0.595 -4.502 1.00 0.00 H new ATOM 383 N ASP A 23 -8.674 0.809 -4.512 1.00 0.00 N ATOM 384 CA ASP A 23 -7.473 1.130 -5.275 1.00 0.00 C ATOM 385 C ASP A 23 -6.430 0.025 -5.141 1.00 0.00 C ATOM 386 O ASP A 23 -6.297 -0.592 -4.084 1.00 0.00 O ATOM 387 CB ASP A 23 -6.885 2.461 -4.803 1.00 0.00 C ATOM 388 CG ASP A 23 -6.098 3.163 -5.892 1.00 0.00 C ATOM 389 OD1 ASP A 23 -5.123 2.569 -6.398 1.00 0.00 O ATOM 390 OD2 ASP A 23 -6.457 4.309 -6.238 1.00 0.00 O ATOM 0 H ASP A 23 -8.618 1.038 -3.520 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.753 1.215 -6.325 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -7.691 3.112 -4.464 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.236 2.285 -3.945 1.00 0.00 H new ATOM 395 N ILE A 24 -5.692 -0.219 -6.219 1.00 0.00 N ATOM 396 CA ILE A 24 -4.660 -1.249 -6.223 1.00 0.00 C ATOM 397 C ILE A 24 -3.273 -0.639 -6.396 1.00 0.00 C ATOM 398 O ILE A 24 -3.090 0.301 -7.170 1.00 0.00 O ATOM 399 CB ILE A 24 -4.898 -2.279 -7.343 1.00 0.00 C ATOM 400 CG1 ILE A 24 -6.351 -2.759 -7.325 1.00 0.00 C ATOM 401 CG2 ILE A 24 -3.944 -3.455 -7.194 1.00 0.00 C ATOM 402 CD1 ILE A 24 -6.722 -3.514 -6.067 1.00 0.00 C ATOM 0 H ILE A 24 -5.790 0.283 -7.102 1.00 0.00 H new ATOM 0 HA ILE A 24 -4.714 -1.753 -5.258 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.705 -1.800 -8.303 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -7.011 -1.898 -7.430 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -6.524 -3.401 -8.189 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.125 -4.174 -7.993 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -2.915 -3.099 -7.252 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.107 -3.936 -6.230 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -7.766 -3.824 -6.123 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -6.087 -4.394 -5.970 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.581 -2.868 -5.200 1.00 0.00 H new ATOM 414 N VAL A 25 -2.299 -1.179 -5.671 1.00 0.00 N ATOM 415 CA VAL A 25 -0.928 -0.688 -5.745 1.00 0.00 C ATOM 416 C VAL A 25 0.060 -1.838 -5.913 1.00 0.00 C ATOM 417 O VAL A 25 -0.271 -2.995 -5.653 1.00 0.00 O ATOM 418 CB VAL A 25 -0.552 0.118 -4.489 1.00 0.00 C ATOM 419 CG1 VAL A 25 -1.368 1.399 -4.412 1.00 0.00 C ATOM 420 CG2 VAL A 25 -0.746 -0.723 -3.236 1.00 0.00 C ATOM 0 H VAL A 25 -2.434 -1.957 -5.025 1.00 0.00 H new ATOM 0 HA VAL A 25 -0.872 -0.035 -6.616 1.00 0.00 H new ATOM 0 HB VAL A 25 0.501 0.390 -4.556 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.088 1.955 -3.517 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -1.173 2.008 -5.294 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -2.429 1.153 -4.369 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.475 -0.136 -2.358 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.790 -1.028 -3.161 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.112 -1.608 -3.290 1.00 0.00 H new ATOM 430 N TYR A 26 1.273 -1.512 -6.348 1.00 0.00 N ATOM 431 CA TYR A 26 2.309 -2.519 -6.549 1.00 0.00 C ATOM 432 C TYR A 26 3.466 -2.316 -5.575 1.00 0.00 C ATOM 433 O TYR A 26 4.129 -1.280 -5.589 1.00 0.00 O ATOM 434 CB TYR A 26 2.825 -2.472 -7.989 1.00 0.00 C ATOM 435 CG TYR A 26 3.186 -1.082 -8.461 1.00 0.00 C ATOM 436 CD1 TYR A 26 2.207 -0.198 -8.897 1.00 0.00 C ATOM 437 CD2 TYR A 26 4.508 -0.654 -8.473 1.00 0.00 C ATOM 438 CE1 TYR A 26 2.534 1.072 -9.330 1.00 0.00 C ATOM 439 CE2 TYR A 26 4.843 0.616 -8.905 1.00 0.00 C ATOM 440 CZ TYR A 26 3.853 1.474 -9.332 1.00 0.00 C ATOM 441 OH TYR A 26 4.183 2.738 -9.764 1.00 0.00 O ATOM 0 H TYR A 26 1.563 -0.559 -6.568 1.00 0.00 H new ATOM 0 HA TYR A 26 1.868 -3.498 -6.360 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.702 -3.113 -8.072 1.00 0.00 H new ATOM 0 HB3 TYR A 26 2.064 -2.885 -8.652 1.00 0.00 H new ATOM 0 HD1 TYR A 26 1.173 -0.509 -8.897 1.00 0.00 H new ATOM 0 HD2 TYR A 26 5.286 -1.324 -8.139 1.00 0.00 H new ATOM 0 HE1 TYR A 26 1.760 1.747 -9.665 1.00 0.00 H new ATOM 0 HE2 TYR A 26 5.875 0.934 -8.908 1.00 0.00 H new ATOM 0 HH TYR A 26 4.658 2.678 -10.619 1.00 0.00 H new ATOM 451 N ILE A 27 3.698 -3.315 -4.730 1.00 0.00 N ATOM 452 CA ILE A 27 4.772 -3.252 -3.744 1.00 0.00 C ATOM 453 C ILE A 27 6.115 -3.620 -4.367 1.00 0.00 C ATOM 454 O ILE A 27 6.203 -4.544 -5.176 1.00 0.00 O ATOM 455 CB ILE A 27 4.501 -4.191 -2.550 1.00 0.00 C ATOM 456 CG1 ILE A 27 3.011 -4.194 -2.189 1.00 0.00 C ATOM 457 CG2 ILE A 27 5.339 -3.778 -1.350 1.00 0.00 C ATOM 458 CD1 ILE A 27 2.420 -2.809 -2.033 1.00 0.00 C ATOM 0 H ILE A 27 3.156 -4.179 -4.708 1.00 0.00 H new ATOM 0 HA ILE A 27 4.808 -2.223 -3.387 1.00 0.00 H new ATOM 0 HB ILE A 27 4.784 -5.203 -2.839 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.460 -4.730 -2.962 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.873 -4.745 -1.259 1.00 0.00 H new ATOM 0 HG21 ILE A 27 5.136 -4.450 -0.516 1.00 0.00 H new ATOM 0 HG22 ILE A 27 6.396 -3.830 -1.609 1.00 0.00 H new ATOM 0 HG23 ILE A 27 5.086 -2.757 -1.063 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.363 -2.891 -1.778 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.945 -2.277 -1.240 1.00 0.00 H new ATOM 0 HD13 ILE A 27 2.526 -2.261 -2.969 1.00 0.00 H new ATOM 470 N HIS A 28 7.161 -2.895 -3.981 1.00 0.00 N ATOM 471 CA HIS A 28 8.502 -3.153 -4.499 1.00 0.00 C ATOM 472 C HIS A 28 9.367 -3.844 -3.447 1.00 0.00 C ATOM 473 O HIS A 28 10.329 -4.538 -3.779 1.00 0.00 O ATOM 474 CB HIS A 28 9.164 -1.851 -4.966 1.00 0.00 C ATOM 475 CG HIS A 28 9.167 -0.758 -3.940 1.00 0.00 C ATOM 476 ND1 HIS A 28 8.149 -0.060 -3.381 1.00 0.00 N flip ATOM 477 CD2 HIS A 28 10.323 -0.256 -3.381 1.00 0.00 C flip ATOM 478 CE1 HIS A 28 8.704 0.840 -2.506 1.00 0.00 C flip ATOM 479 NE2 HIS A 28 10.016 0.701 -2.523 1.00 0.00 N flip ATOM 0 H HIS A 28 7.107 -2.126 -3.313 1.00 0.00 H new ATOM 0 HA HIS A 28 8.409 -3.819 -5.357 1.00 0.00 H new ATOM 0 HB2 HIS A 28 10.193 -2.064 -5.256 1.00 0.00 H new ATOM 0 HB3 HIS A 28 8.649 -1.495 -5.858 1.00 0.00 H new ATOM 0 HD2 HIS A 28 11.324 -0.592 -3.609 1.00 0.00 H new ATOM 0 HE1 HIS A 28 8.156 1.547 -1.902 1.00 0.00 H new ATOM 0 HE2 HIS A 28 10.680 1.241 -1.968 1.00 0.00 H new ATOM 488 N LYS A 29 9.010 -3.662 -2.179 1.00 0.00 N ATOM 489 CA LYS A 29 9.740 -4.278 -1.075 1.00 0.00 C ATOM 490 C LYS A 29 8.809 -4.507 0.111 1.00 0.00 C ATOM 491 O LYS A 29 7.931 -3.690 0.388 1.00 0.00 O ATOM 492 CB LYS A 29 10.929 -3.408 -0.652 1.00 0.00 C ATOM 493 CG LYS A 29 10.675 -1.915 -0.776 1.00 0.00 C ATOM 494 CD LYS A 29 11.283 -1.144 0.385 1.00 0.00 C ATOM 495 CE LYS A 29 10.702 -1.588 1.718 1.00 0.00 C ATOM 496 NZ LYS A 29 10.939 -0.582 2.792 1.00 0.00 N ATOM 0 H LYS A 29 8.216 -3.090 -1.890 1.00 0.00 H new ATOM 0 HA LYS A 29 10.124 -5.240 -1.416 1.00 0.00 H new ATOM 0 HB2 LYS A 29 11.185 -3.638 0.382 1.00 0.00 H new ATOM 0 HB3 LYS A 29 11.794 -3.671 -1.261 1.00 0.00 H new ATOM 0 HG2 LYS A 29 11.094 -1.551 -1.714 1.00 0.00 H new ATOM 0 HG3 LYS A 29 9.601 -1.730 -0.813 1.00 0.00 H new ATOM 0 HD2 LYS A 29 12.363 -1.288 0.392 1.00 0.00 H new ATOM 0 HD3 LYS A 29 11.105 -0.078 0.247 1.00 0.00 H new ATOM 0 HE2 LYS A 29 9.631 -1.756 1.609 1.00 0.00 H new ATOM 0 HE3 LYS A 29 11.146 -2.540 2.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 11.280 -1.063 3.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 11.652 0.105 2.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.050 -0.085 3.004 1.00 0.00 H new ATOM 510 N GLU A 30 8.993 -5.629 0.801 1.00 0.00 N ATOM 511 CA GLU A 30 8.152 -5.963 1.946 1.00 0.00 C ATOM 512 C GLU A 30 8.910 -5.847 3.259 1.00 0.00 C ATOM 513 O GLU A 30 9.859 -6.588 3.514 1.00 0.00 O ATOM 514 CB GLU A 30 7.589 -7.377 1.797 1.00 0.00 C ATOM 515 CG GLU A 30 6.986 -7.651 0.429 1.00 0.00 C ATOM 516 CD GLU A 30 6.441 -9.061 0.303 1.00 0.00 C ATOM 517 OE1 GLU A 30 6.269 -9.727 1.345 1.00 0.00 O ATOM 518 OE2 GLU A 30 6.187 -9.498 -0.839 1.00 0.00 O ATOM 0 H GLU A 30 9.713 -6.319 0.589 1.00 0.00 H new ATOM 0 HA GLU A 30 7.333 -5.245 1.967 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.385 -8.098 1.985 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.827 -7.538 2.560 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.184 -6.937 0.240 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.744 -7.489 -0.337 1.00 0.00 H new ATOM 525 N VAL A 31 8.462 -4.921 4.098 1.00 0.00 N ATOM 526 CA VAL A 31 9.070 -4.711 5.403 1.00 0.00 C ATOM 527 C VAL A 31 8.135 -5.213 6.493 1.00 0.00 C ATOM 528 O VAL A 31 7.255 -4.492 6.962 1.00 0.00 O ATOM 529 CB VAL A 31 9.406 -3.229 5.671 1.00 0.00 C ATOM 530 CG1 VAL A 31 10.884 -3.068 5.996 1.00 0.00 C ATOM 531 CG2 VAL A 31 9.018 -2.351 4.490 1.00 0.00 C ATOM 0 H VAL A 31 7.677 -4.302 3.895 1.00 0.00 H new ATOM 0 HA VAL A 31 10.006 -5.269 5.411 1.00 0.00 H new ATOM 0 HB VAL A 31 8.823 -2.904 6.532 1.00 0.00 H new ATOM 0 HG11 VAL A 31 11.103 -2.017 6.182 1.00 0.00 H new ATOM 0 HG12 VAL A 31 11.127 -3.652 6.884 1.00 0.00 H new ATOM 0 HG13 VAL A 31 11.482 -3.420 5.155 1.00 0.00 H new ATOM 0 HG21 VAL A 31 9.268 -1.313 4.711 1.00 0.00 H new ATOM 0 HG22 VAL A 31 9.562 -2.674 3.602 1.00 0.00 H new ATOM 0 HG23 VAL A 31 7.946 -2.436 4.310 1.00 0.00 H new ATOM 541 N ASP A 32 8.329 -6.464 6.871 1.00 0.00 N ATOM 542 CA ASP A 32 7.503 -7.104 7.891 1.00 0.00 C ATOM 543 C ASP A 32 7.630 -6.416 9.251 1.00 0.00 C ATOM 544 O ASP A 32 6.850 -6.696 10.162 1.00 0.00 O ATOM 545 CB ASP A 32 7.881 -8.580 8.023 1.00 0.00 C ATOM 546 CG ASP A 32 9.377 -8.785 8.152 1.00 0.00 C ATOM 547 OD1 ASP A 32 10.112 -8.404 7.216 1.00 0.00 O ATOM 548 OD2 ASP A 32 9.815 -9.327 9.188 1.00 0.00 O ATOM 0 H ASP A 32 9.057 -7.065 6.485 1.00 0.00 H new ATOM 0 HA ASP A 32 6.465 -7.015 7.570 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.383 -9.003 8.895 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.516 -9.125 7.152 1.00 0.00 H new ATOM 553 N LYS A 33 8.605 -5.518 9.394 1.00 0.00 N ATOM 554 CA LYS A 33 8.802 -4.807 10.656 1.00 0.00 C ATOM 555 C LYS A 33 7.478 -4.249 11.176 1.00 0.00 C ATOM 556 O LYS A 33 7.093 -4.505 12.317 1.00 0.00 O ATOM 557 CB LYS A 33 9.811 -3.671 10.474 1.00 0.00 C ATOM 558 CG LYS A 33 10.394 -3.160 11.782 1.00 0.00 C ATOM 559 CD LYS A 33 11.889 -3.427 11.876 1.00 0.00 C ATOM 560 CE LYS A 33 12.648 -2.197 12.349 1.00 0.00 C ATOM 561 NZ LYS A 33 13.944 -2.034 11.634 1.00 0.00 N ATOM 0 H LYS A 33 9.265 -5.268 8.658 1.00 0.00 H new ATOM 0 HA LYS A 33 9.192 -5.515 11.388 1.00 0.00 H new ATOM 0 HB2 LYS A 33 10.623 -4.016 9.834 1.00 0.00 H new ATOM 0 HB3 LYS A 33 9.326 -2.845 9.955 1.00 0.00 H new ATOM 0 HG2 LYS A 33 10.210 -2.089 11.868 1.00 0.00 H new ATOM 0 HG3 LYS A 33 9.886 -3.639 12.619 1.00 0.00 H new ATOM 0 HD2 LYS A 33 12.069 -4.253 12.564 1.00 0.00 H new ATOM 0 HD3 LYS A 33 12.266 -3.736 10.901 1.00 0.00 H new ATOM 0 HE2 LYS A 33 12.034 -1.310 12.194 1.00 0.00 H new ATOM 0 HE3 LYS A 33 12.832 -2.274 13.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 14.430 -1.184 11.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 14.541 -2.869 11.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 13.768 -1.935 10.614 1.00 0.00 H new ATOM 575 N ASN A 34 6.781 -3.503 10.318 1.00 0.00 N ATOM 576 CA ASN A 34 5.478 -2.915 10.667 1.00 0.00 C ATOM 577 C ASN A 34 5.060 -1.798 9.703 1.00 0.00 C ATOM 578 O ASN A 34 4.233 -0.955 10.054 1.00 0.00 O ATOM 579 CB ASN A 34 5.486 -2.365 12.099 1.00 0.00 C ATOM 580 CG ASN A 34 6.715 -1.528 12.397 1.00 0.00 C ATOM 581 OD1 ASN A 34 7.689 -1.539 11.645 1.00 0.00 O ATOM 582 ND2 ASN A 34 6.675 -0.793 13.503 1.00 0.00 N ATOM 0 H ASN A 34 7.095 -3.288 9.372 1.00 0.00 H new ATOM 0 HA ASN A 34 4.751 -3.723 10.587 1.00 0.00 H new ATOM 0 HB2 ASN A 34 4.593 -1.761 12.257 1.00 0.00 H new ATOM 0 HB3 ASN A 34 5.437 -3.196 12.803 1.00 0.00 H new ATOM 0 HD21 ASN A 34 7.472 -0.209 13.756 1.00 0.00 H new ATOM 0 HD22 ASN A 34 5.847 -0.813 14.099 1.00 0.00 H new ATOM 589 N TRP A 35 5.615 -1.791 8.495 1.00 0.00 N ATOM 590 CA TRP A 35 5.272 -0.775 7.506 1.00 0.00 C ATOM 591 C TRP A 35 5.634 -1.244 6.100 1.00 0.00 C ATOM 592 O TRP A 35 6.808 -1.442 5.792 1.00 0.00 O ATOM 593 CB TRP A 35 5.990 0.540 7.823 1.00 0.00 C ATOM 594 CG TRP A 35 5.080 1.732 7.815 1.00 0.00 C ATOM 595 CD1 TRP A 35 3.866 1.834 7.199 1.00 0.00 C ATOM 596 CD2 TRP A 35 5.314 2.993 8.453 1.00 0.00 C ATOM 597 NE1 TRP A 35 3.330 3.081 7.415 1.00 0.00 N ATOM 598 CE2 TRP A 35 4.200 3.811 8.182 1.00 0.00 C ATOM 599 CE3 TRP A 35 6.357 3.510 9.227 1.00 0.00 C ATOM 600 CZ2 TRP A 35 4.101 5.116 8.658 1.00 0.00 C ATOM 601 CZ3 TRP A 35 6.257 4.805 9.699 1.00 0.00 C ATOM 602 CH2 TRP A 35 5.136 5.595 9.413 1.00 0.00 C ATOM 0 H TRP A 35 6.302 -2.475 8.178 1.00 0.00 H new ATOM 0 HA TRP A 35 4.196 -0.609 7.548 1.00 0.00 H new ATOM 0 HB2 TRP A 35 6.464 0.460 8.802 1.00 0.00 H new ATOM 0 HB3 TRP A 35 6.786 0.695 7.095 1.00 0.00 H new ATOM 0 HD1 TRP A 35 3.395 1.049 6.625 1.00 0.00 H new ATOM 0 HE1 TRP A 35 2.431 3.410 7.062 1.00 0.00 H new ATOM 0 HE3 TRP A 35 7.225 2.908 9.452 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 3.238 5.728 8.439 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 7.056 5.215 10.298 1.00 0.00 H new ATOM 0 HH2 TRP A 35 5.088 6.603 9.797 1.00 0.00 H new ATOM 613 N LEU A 36 4.628 -1.417 5.249 1.00 0.00 N ATOM 614 CA LEU A 36 4.852 -1.858 3.886 1.00 0.00 C ATOM 615 C LEU A 36 5.269 -0.694 2.994 1.00 0.00 C ATOM 616 O LEU A 36 4.818 0.433 3.183 1.00 0.00 O ATOM 617 CB LEU A 36 3.576 -2.483 3.347 1.00 0.00 C ATOM 618 CG LEU A 36 3.692 -3.060 1.945 1.00 0.00 C ATOM 619 CD1 LEU A 36 3.993 -4.547 2.022 1.00 0.00 C ATOM 620 CD2 LEU A 36 2.412 -2.799 1.166 1.00 0.00 C ATOM 0 H LEU A 36 3.649 -1.257 5.485 1.00 0.00 H new ATOM 0 HA LEU A 36 5.658 -2.592 3.886 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.261 -3.275 4.026 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.789 -1.729 3.350 1.00 0.00 H new ATOM 0 HG LEU A 36 4.513 -2.572 1.420 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.075 -4.954 1.014 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.932 -4.701 2.553 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.188 -5.054 2.554 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.505 -3.216 0.163 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.572 -3.269 1.678 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.240 -1.725 1.098 1.00 0.00 H new ATOM 632 N GLU A 37 6.124 -0.973 2.015 1.00 0.00 N ATOM 633 CA GLU A 37 6.590 0.058 1.094 1.00 0.00 C ATOM 634 C GLU A 37 6.070 -0.197 -0.317 1.00 0.00 C ATOM 635 O GLU A 37 6.293 -1.264 -0.888 1.00 0.00 O ATOM 636 CB GLU A 37 8.118 0.115 1.085 1.00 0.00 C ATOM 637 CG GLU A 37 8.674 1.476 0.695 1.00 0.00 C ATOM 638 CD GLU A 37 9.694 1.997 1.689 1.00 0.00 C ATOM 639 OE1 GLU A 37 9.600 1.637 2.881 1.00 0.00 O ATOM 640 OE2 GLU A 37 10.588 2.765 1.274 1.00 0.00 O ATOM 0 H GLU A 37 6.507 -1.902 1.839 1.00 0.00 H new ATOM 0 HA GLU A 37 6.202 1.017 1.437 1.00 0.00 H new ATOM 0 HB2 GLU A 37 8.489 -0.150 2.075 1.00 0.00 H new ATOM 0 HB3 GLU A 37 8.497 -0.635 0.391 1.00 0.00 H new ATOM 0 HG2 GLU A 37 9.135 1.407 -0.290 1.00 0.00 H new ATOM 0 HG3 GLU A 37 7.854 2.190 0.614 1.00 0.00 H new ATOM 647 N GLY A 38 5.376 0.791 -0.873 1.00 0.00 N ATOM 648 CA GLY A 38 4.835 0.653 -2.212 1.00 0.00 C ATOM 649 C GLY A 38 5.052 1.893 -3.055 1.00 0.00 C ATOM 650 O GLY A 38 5.597 2.889 -2.579 1.00 0.00 O ATOM 0 H GLY A 38 5.179 1.684 -0.420 1.00 0.00 H new ATOM 0 HA2 GLY A 38 5.300 -0.202 -2.702 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.767 0.442 -2.149 1.00 0.00 H new ATOM 654 N GLU A 39 4.624 1.833 -4.311 1.00 0.00 N ATOM 655 CA GLU A 39 4.774 2.960 -5.224 1.00 0.00 C ATOM 656 C GLU A 39 3.656 2.972 -6.261 1.00 0.00 C ATOM 657 O GLU A 39 3.039 1.942 -6.534 1.00 0.00 O ATOM 658 CB GLU A 39 6.137 2.907 -5.923 1.00 0.00 C ATOM 659 CG GLU A 39 6.645 1.496 -6.171 1.00 0.00 C ATOM 660 CD GLU A 39 7.884 1.467 -7.044 1.00 0.00 C ATOM 661 OE1 GLU A 39 7.895 2.161 -8.082 1.00 0.00 O ATOM 662 OE2 GLU A 39 8.843 0.750 -6.689 1.00 0.00 O ATOM 0 H GLU A 39 4.170 1.016 -4.720 1.00 0.00 H new ATOM 0 HA GLU A 39 4.713 3.878 -4.639 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.066 3.431 -6.876 1.00 0.00 H new ATOM 0 HB3 GLU A 39 6.867 3.445 -5.317 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.867 1.021 -5.216 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.858 0.908 -6.644 1.00 0.00 H new ATOM 669 N HIS A 40 3.399 4.143 -6.834 1.00 0.00 N ATOM 670 CA HIS A 40 2.353 4.289 -7.839 1.00 0.00 C ATOM 671 C HIS A 40 2.760 5.301 -8.907 1.00 0.00 C ATOM 672 O HIS A 40 3.066 6.453 -8.601 1.00 0.00 O ATOM 673 CB HIS A 40 1.043 4.725 -7.180 1.00 0.00 C ATOM 674 CG HIS A 40 1.119 6.072 -6.531 1.00 0.00 C ATOM 675 ND1 HIS A 40 2.036 6.598 -5.683 1.00 0.00 N flip ATOM 676 CD2 HIS A 40 0.173 7.057 -6.727 1.00 0.00 C flip ATOM 677 CE1 HIS A 40 1.631 7.876 -5.388 1.00 0.00 C flip ATOM 678 NE2 HIS A 40 0.506 8.129 -6.030 1.00 0.00 N flip ATOM 0 H HIS A 40 3.901 5.005 -6.619 1.00 0.00 H new ATOM 0 HA HIS A 40 2.207 3.321 -8.319 1.00 0.00 H new ATOM 0 HB2 HIS A 40 0.254 4.737 -7.932 1.00 0.00 H new ATOM 0 HB3 HIS A 40 0.759 3.986 -6.431 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -0.703 6.966 -7.352 1.00 0.00 H new ATOM 0 HE1 HIS A 40 2.149 8.563 -4.736 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -0.018 9.004 -5.994 1.00 0.00 H new ATOM 687 N HIS A 41 2.757 4.861 -10.162 1.00 0.00 N ATOM 688 CA HIS A 41 3.123 5.727 -11.278 1.00 0.00 C ATOM 689 C HIS A 41 4.513 6.326 -11.078 1.00 0.00 C ATOM 690 O HIS A 41 4.751 7.489 -11.403 1.00 0.00 O ATOM 691 CB HIS A 41 2.092 6.844 -11.441 1.00 0.00 C ATOM 692 CG HIS A 41 0.855 6.415 -12.169 1.00 0.00 C ATOM 693 ND1 HIS A 41 0.773 6.360 -13.545 1.00 0.00 N ATOM 694 CD2 HIS A 41 -0.354 6.018 -11.706 1.00 0.00 C ATOM 695 CE1 HIS A 41 -0.432 5.948 -13.896 1.00 0.00 C ATOM 696 NE2 HIS A 41 -1.135 5.733 -12.799 1.00 0.00 N ATOM 0 H HIS A 41 2.505 3.910 -10.431 1.00 0.00 H new ATOM 0 HA HIS A 41 3.140 5.120 -12.183 1.00 0.00 H new ATOM 0 HB2 HIS A 41 1.813 7.217 -10.455 1.00 0.00 H new ATOM 0 HB3 HIS A 41 2.550 7.675 -11.978 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -0.649 5.940 -10.670 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -0.783 5.810 -14.908 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -2.101 5.408 -12.768 1.00 0.00 H new ATOM 705 N GLY A 42 5.427 5.523 -10.541 1.00 0.00 N ATOM 706 CA GLY A 42 6.780 5.993 -10.308 1.00 0.00 C ATOM 707 C GLY A 42 6.940 6.701 -8.974 1.00 0.00 C ATOM 708 O GLY A 42 8.060 6.973 -8.543 1.00 0.00 O ATOM 0 H GLY A 42 5.255 4.557 -10.264 1.00 0.00 H new ATOM 0 HA2 GLY A 42 7.465 5.146 -10.348 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.066 6.673 -11.111 1.00 0.00 H new ATOM 712 N ARG A 43 5.822 7.000 -8.317 1.00 0.00 N ATOM 713 CA ARG A 43 5.853 7.676 -7.028 1.00 0.00 C ATOM 714 C ARG A 43 5.867 6.661 -5.890 1.00 0.00 C ATOM 715 O ARG A 43 5.429 5.524 -6.058 1.00 0.00 O ATOM 716 CB ARG A 43 4.649 8.606 -6.889 1.00 0.00 C ATOM 717 CG ARG A 43 4.650 9.406 -5.600 1.00 0.00 C ATOM 718 CD ARG A 43 5.904 10.257 -5.472 1.00 0.00 C ATOM 719 NE ARG A 43 5.950 11.319 -6.474 1.00 0.00 N ATOM 720 CZ ARG A 43 5.282 12.465 -6.370 1.00 0.00 C ATOM 721 NH1 ARG A 43 4.517 12.703 -5.312 1.00 0.00 N ATOM 722 NH2 ARG A 43 5.378 13.377 -7.328 1.00 0.00 N ATOM 0 H ARG A 43 4.885 6.784 -8.658 1.00 0.00 H new ATOM 0 HA ARG A 43 6.765 8.270 -6.973 1.00 0.00 H new ATOM 0 HB2 ARG A 43 4.631 9.294 -7.734 1.00 0.00 H new ATOM 0 HB3 ARG A 43 3.735 8.015 -6.940 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.769 10.047 -5.568 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.581 8.728 -4.750 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.943 10.697 -4.476 1.00 0.00 H new ATOM 0 HD3 ARG A 43 6.784 9.623 -5.575 1.00 0.00 H new ATOM 0 HE ARG A 43 6.528 11.174 -7.302 1.00 0.00 H new ATOM 0 HH11 ARG A 43 4.438 12.005 -4.572 1.00 0.00 H new ATOM 0 HH12 ARG A 43 4.008 13.584 -5.239 1.00 0.00 H new ATOM 0 HH21 ARG A 43 5.964 13.200 -8.144 1.00 0.00 H new ATOM 0 HH22 ARG A 43 4.866 14.256 -7.249 1.00 0.00 H new ATOM 736 N LEU A 44 6.380 7.073 -4.736 1.00 0.00 N ATOM 737 CA LEU A 44 6.457 6.189 -3.580 1.00 0.00 C ATOM 738 C LEU A 44 5.290 6.416 -2.626 1.00 0.00 C ATOM 739 O LEU A 44 5.014 7.544 -2.218 1.00 0.00 O ATOM 740 CB LEU A 44 7.780 6.397 -2.844 1.00 0.00 C ATOM 741 CG LEU A 44 8.948 5.569 -3.383 1.00 0.00 C ATOM 742 CD1 LEU A 44 9.994 6.469 -4.023 1.00 0.00 C ATOM 743 CD2 LEU A 44 9.570 4.731 -2.274 1.00 0.00 C ATOM 0 H LEU A 44 6.748 8.011 -4.577 1.00 0.00 H new ATOM 0 HA LEU A 44 6.403 5.162 -3.942 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.047 7.453 -2.895 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.636 6.155 -1.791 1.00 0.00 H new ATOM 0 HG LEU A 44 8.563 4.894 -4.147 1.00 0.00 H new ATOM 0 HD11 LEU A 44 10.816 5.861 -4.400 1.00 0.00 H new ATOM 0 HD12 LEU A 44 9.543 7.021 -4.848 1.00 0.00 H new ATOM 0 HD13 LEU A 44 10.373 7.171 -3.281 1.00 0.00 H new ATOM 0 HD21 LEU A 44 10.399 4.150 -2.678 1.00 0.00 H new ATOM 0 HD22 LEU A 44 9.938 5.387 -1.485 1.00 0.00 H new ATOM 0 HD23 LEU A 44 8.819 4.056 -1.864 1.00 0.00 H new ATOM 755 N GLY A 45 4.615 5.329 -2.272 1.00 0.00 N ATOM 756 CA GLY A 45 3.488 5.410 -1.363 1.00 0.00 C ATOM 757 C GLY A 45 3.526 4.317 -0.316 1.00 0.00 C ATOM 758 O GLY A 45 3.459 3.132 -0.644 1.00 0.00 O ATOM 0 H GLY A 45 4.830 4.388 -2.601 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.487 6.383 -0.872 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.559 5.338 -1.929 1.00 0.00 H new ATOM 762 N ILE A 46 3.651 4.712 0.945 1.00 0.00 N ATOM 763 CA ILE A 46 3.719 3.754 2.038 1.00 0.00 C ATOM 764 C ILE A 46 2.511 3.870 2.963 1.00 0.00 C ATOM 765 O ILE A 46 1.964 4.956 3.159 1.00 0.00 O ATOM 766 CB ILE A 46 5.018 3.965 2.838 1.00 0.00 C ATOM 767 CG1 ILE A 46 6.214 3.871 1.888 1.00 0.00 C ATOM 768 CG2 ILE A 46 5.144 2.958 3.975 1.00 0.00 C ATOM 769 CD1 ILE A 46 7.551 3.894 2.588 1.00 0.00 C ATOM 0 H ILE A 46 3.707 5.688 1.234 1.00 0.00 H new ATOM 0 HA ILE A 46 3.713 2.753 1.608 1.00 0.00 H new ATOM 0 HB ILE A 46 4.994 4.955 3.292 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.134 2.952 1.308 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.170 4.699 1.181 1.00 0.00 H new ATOM 0 HG21 ILE A 46 6.072 3.137 4.518 1.00 0.00 H new ATOM 0 HG22 ILE A 46 4.299 3.069 4.655 1.00 0.00 H new ATOM 0 HG23 ILE A 46 5.151 1.947 3.567 1.00 0.00 H new ATOM 0 HD11 ILE A 46 8.350 3.824 1.849 1.00 0.00 H new ATOM 0 HD12 ILE A 46 7.654 4.825 3.146 1.00 0.00 H new ATOM 0 HD13 ILE A 46 7.617 3.050 3.275 1.00 0.00 H new ATOM 781 N PHE A 47 2.103 2.738 3.528 1.00 0.00 N ATOM 782 CA PHE A 47 0.963 2.692 4.435 1.00 0.00 C ATOM 783 C PHE A 47 1.007 1.427 5.290 1.00 0.00 C ATOM 784 O PHE A 47 1.673 0.453 4.937 1.00 0.00 O ATOM 785 CB PHE A 47 -0.347 2.744 3.645 1.00 0.00 C ATOM 786 CG PHE A 47 -0.375 1.812 2.468 1.00 0.00 C ATOM 787 CD1 PHE A 47 -0.513 0.445 2.653 1.00 0.00 C ATOM 788 CD2 PHE A 47 -0.263 2.302 1.177 1.00 0.00 C ATOM 789 CE1 PHE A 47 -0.539 -0.415 1.572 1.00 0.00 C ATOM 790 CE2 PHE A 47 -0.289 1.446 0.092 1.00 0.00 C ATOM 791 CZ PHE A 47 -0.427 0.086 0.290 1.00 0.00 C ATOM 0 H PHE A 47 2.549 1.834 3.372 1.00 0.00 H new ATOM 0 HA PHE A 47 1.014 3.559 5.093 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -1.174 2.499 4.312 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -0.511 3.763 3.295 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -0.601 0.048 3.653 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -0.154 3.364 1.017 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -0.647 -1.478 1.729 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -0.201 1.840 -0.910 1.00 0.00 H new ATOM 0 HZ PHE A 47 -0.447 -0.584 -0.556 1.00 0.00 H new ATOM 801 N PRO A 48 0.298 1.424 6.431 1.00 0.00 N ATOM 802 CA PRO A 48 0.264 0.267 7.332 1.00 0.00 C ATOM 803 C PRO A 48 -0.135 -1.015 6.608 1.00 0.00 C ATOM 804 O PRO A 48 -1.096 -1.031 5.839 1.00 0.00 O ATOM 805 CB PRO A 48 -0.796 0.649 8.368 1.00 0.00 C ATOM 806 CG PRO A 48 -0.831 2.138 8.348 1.00 0.00 C ATOM 807 CD PRO A 48 -0.524 2.541 6.932 1.00 0.00 C ATOM 0 HA PRO A 48 1.242 0.059 7.765 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -1.768 0.227 8.113 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -0.535 0.273 9.357 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -1.808 2.509 8.656 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -0.099 2.555 9.040 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -1.433 2.667 6.344 1.00 0.00 H new ATOM 0 HD3 PRO A 48 0.016 3.487 6.891 1.00 0.00 H new ATOM 815 N ALA A 49 0.610 -2.086 6.858 1.00 0.00 N ATOM 816 CA ALA A 49 0.334 -3.373 6.230 1.00 0.00 C ATOM 817 C ALA A 49 -0.989 -3.957 6.718 1.00 0.00 C ATOM 818 O ALA A 49 -1.612 -4.766 6.030 1.00 0.00 O ATOM 819 CB ALA A 49 1.473 -4.345 6.501 1.00 0.00 C ATOM 0 H ALA A 49 1.410 -2.089 7.491 1.00 0.00 H new ATOM 0 HA ALA A 49 0.252 -3.212 5.155 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.255 -5.302 6.027 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.400 -3.941 6.094 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.581 -4.489 7.576 1.00 0.00 H new ATOM 825 N ASN A 50 -1.412 -3.545 7.910 1.00 0.00 N ATOM 826 CA ASN A 50 -2.660 -4.032 8.489 1.00 0.00 C ATOM 827 C ASN A 50 -3.869 -3.270 7.944 1.00 0.00 C ATOM 828 O ASN A 50 -5.003 -3.524 8.352 1.00 0.00 O ATOM 829 CB ASN A 50 -2.616 -3.911 10.013 1.00 0.00 C ATOM 830 CG ASN A 50 -3.616 -4.824 10.695 1.00 0.00 C ATOM 831 OD1 ASN A 50 -4.455 -5.443 10.041 1.00 0.00 O ATOM 832 ND2 ASN A 50 -3.532 -4.910 12.017 1.00 0.00 N ATOM 0 H ASN A 50 -0.909 -2.876 8.493 1.00 0.00 H new ATOM 0 HA ASN A 50 -2.767 -5.080 8.209 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -1.612 -4.149 10.365 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -2.817 -2.879 10.299 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -4.179 -5.507 12.531 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -2.820 -4.379 12.518 1.00 0.00 H new ATOM 839 N TYR A 51 -3.628 -2.337 7.026 1.00 0.00 N ATOM 840 CA TYR A 51 -4.706 -1.550 6.439 1.00 0.00 C ATOM 841 C TYR A 51 -4.857 -1.855 4.951 1.00 0.00 C ATOM 842 O TYR A 51 -5.215 -0.982 4.161 1.00 0.00 O ATOM 843 CB TYR A 51 -4.445 -0.056 6.647 1.00 0.00 C ATOM 844 CG TYR A 51 -5.458 0.616 7.546 1.00 0.00 C ATOM 845 CD1 TYR A 51 -6.802 0.659 7.198 1.00 0.00 C ATOM 846 CD2 TYR A 51 -5.071 1.205 8.743 1.00 0.00 C ATOM 847 CE1 TYR A 51 -7.732 1.272 8.017 1.00 0.00 C ATOM 848 CE2 TYR A 51 -5.994 1.819 9.568 1.00 0.00 C ATOM 849 CZ TYR A 51 -7.323 1.850 9.200 1.00 0.00 C ATOM 850 OH TYR A 51 -8.245 2.460 10.019 1.00 0.00 O ATOM 0 H TYR A 51 -2.698 -2.109 6.674 1.00 0.00 H new ATOM 0 HA TYR A 51 -5.636 -1.821 6.939 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -3.450 0.075 7.073 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -4.445 0.443 5.678 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -7.126 0.206 6.273 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -4.031 1.183 9.034 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -8.773 1.298 7.732 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -5.677 2.272 10.496 1.00 0.00 H new ATOM 0 HH TYR A 51 -7.793 2.815 10.813 1.00 0.00 H new ATOM 860 N VAL A 52 -4.581 -3.100 4.576 1.00 0.00 N ATOM 861 CA VAL A 52 -4.688 -3.519 3.184 1.00 0.00 C ATOM 862 C VAL A 52 -4.926 -5.022 3.077 1.00 0.00 C ATOM 863 O VAL A 52 -4.634 -5.774 4.007 1.00 0.00 O ATOM 864 CB VAL A 52 -3.420 -3.147 2.388 1.00 0.00 C ATOM 865 CG1 VAL A 52 -2.203 -3.873 2.942 1.00 0.00 C ATOM 866 CG2 VAL A 52 -3.606 -3.455 0.910 1.00 0.00 C ATOM 0 H VAL A 52 -4.282 -3.835 5.216 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.542 -2.992 2.758 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.252 -2.075 2.495 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.320 -3.596 2.366 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.057 -3.595 3.986 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.359 -4.950 2.872 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.701 -3.186 0.366 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.803 -4.519 0.782 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.447 -2.881 0.522 1.00 0.00 H new ATOM 876 N GLU A 53 -5.459 -5.454 1.939 1.00 0.00 N ATOM 877 CA GLU A 53 -5.737 -6.867 1.712 1.00 0.00 C ATOM 878 C GLU A 53 -4.727 -7.469 0.740 1.00 0.00 C ATOM 879 O GLU A 53 -4.540 -6.965 -0.367 1.00 0.00 O ATOM 880 CB GLU A 53 -7.156 -7.050 1.171 1.00 0.00 C ATOM 881 CG GLU A 53 -8.227 -7.025 2.249 1.00 0.00 C ATOM 882 CD GLU A 53 -9.544 -7.608 1.776 1.00 0.00 C ATOM 883 OE1 GLU A 53 -10.210 -6.967 0.936 1.00 0.00 O ATOM 884 OE2 GLU A 53 -9.911 -8.705 2.246 1.00 0.00 O ATOM 0 H GLU A 53 -5.707 -4.845 1.159 1.00 0.00 H new ATOM 0 HA GLU A 53 -5.651 -7.387 2.666 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -7.364 -6.263 0.446 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -7.212 -7.998 0.637 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -7.877 -7.584 3.117 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -8.385 -5.997 2.575 1.00 0.00 H new ATOM 891 N VAL A 54 -4.078 -8.549 1.162 1.00 0.00 N ATOM 892 CA VAL A 54 -3.088 -9.219 0.328 1.00 0.00 C ATOM 893 C VAL A 54 -3.756 -10.153 -0.675 1.00 0.00 C ATOM 894 O VAL A 54 -4.378 -11.145 -0.295 1.00 0.00 O ATOM 895 CB VAL A 54 -2.091 -10.028 1.180 1.00 0.00 C ATOM 896 CG1 VAL A 54 -0.954 -10.554 0.318 1.00 0.00 C ATOM 897 CG2 VAL A 54 -1.555 -9.181 2.324 1.00 0.00 C ATOM 0 H VAL A 54 -4.220 -8.979 2.076 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.547 -8.440 -0.209 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.617 -10.882 1.607 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.261 -11.123 0.938 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.357 -11.200 -0.462 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.428 -9.717 -0.141 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.853 -9.769 2.914 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.046 -8.305 1.921 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.382 -8.860 2.958 1.00 0.00 H new ATOM 907 N LEU A 55 -3.624 -9.829 -1.957 1.00 0.00 N ATOM 908 CA LEU A 55 -4.215 -10.640 -3.015 1.00 0.00 C ATOM 909 C LEU A 55 -3.816 -10.114 -4.392 1.00 0.00 C ATOM 910 O LEU A 55 -4.616 -9.479 -5.080 1.00 0.00 O ATOM 911 CB LEU A 55 -5.740 -10.656 -2.883 1.00 0.00 C ATOM 912 CG LEU A 55 -6.412 -9.282 -2.965 1.00 0.00 C ATOM 913 CD1 LEU A 55 -7.271 -9.178 -4.217 1.00 0.00 C ATOM 914 CD2 LEU A 55 -7.248 -9.019 -1.721 1.00 0.00 C ATOM 0 H LEU A 55 -3.113 -9.011 -2.288 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.838 -11.658 -2.912 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.151 -11.292 -3.667 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.002 -11.116 -1.930 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.631 -8.523 -3.021 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.739 -8.195 -4.256 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.647 -9.318 -5.099 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -8.043 -9.947 -4.193 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.717 -8.038 -1.799 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.019 -9.784 -1.633 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.607 -9.046 -0.840 1.00 0.00 H new ATOM 926 N PRO A 56 -2.566 -10.374 -4.815 1.00 0.00 N ATOM 927 CA PRO A 56 -2.063 -9.925 -6.117 1.00 0.00 C ATOM 928 C PRO A 56 -2.989 -10.317 -7.263 1.00 0.00 C ATOM 929 O PRO A 56 -3.191 -11.501 -7.534 1.00 0.00 O ATOM 930 CB PRO A 56 -0.719 -10.645 -6.246 1.00 0.00 C ATOM 931 CG PRO A 56 -0.287 -10.890 -4.842 1.00 0.00 C ATOM 932 CD PRO A 56 -1.547 -11.125 -4.057 1.00 0.00 C ATOM 0 HA PRO A 56 -1.987 -8.839 -6.172 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -0.821 -11.579 -6.798 1.00 0.00 H new ATOM 0 HB3 PRO A 56 0.007 -10.035 -6.783 1.00 0.00 H new ATOM 0 HG2 PRO A 56 0.377 -11.753 -4.783 1.00 0.00 H new ATOM 0 HG3 PRO A 56 0.264 -10.036 -4.449 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -1.791 -12.186 -3.997 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -1.457 -10.760 -3.034 1.00 0.00 H new ATOM 940 N LEU A 57 -3.550 -9.315 -7.933 1.00 0.00 N ATOM 941 CA LEU A 57 -4.455 -9.556 -9.051 1.00 0.00 C ATOM 942 C LEU A 57 -3.752 -9.316 -10.383 1.00 0.00 C ATOM 943 O LEU A 57 -3.237 -8.227 -10.637 1.00 0.00 O ATOM 944 CB LEU A 57 -5.686 -8.653 -8.941 1.00 0.00 C ATOM 945 CG LEU A 57 -6.242 -8.487 -7.525 1.00 0.00 C ATOM 946 CD1 LEU A 57 -5.711 -7.212 -6.889 1.00 0.00 C ATOM 947 CD2 LEU A 57 -7.764 -8.481 -7.546 1.00 0.00 C ATOM 0 H LEU A 57 -3.394 -8.330 -7.721 1.00 0.00 H new ATOM 0 HA LEU A 57 -4.772 -10.598 -9.011 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.432 -7.668 -9.333 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -6.472 -9.057 -9.579 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.910 -9.334 -6.924 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.117 -7.111 -5.883 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.623 -7.256 -6.838 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -6.012 -6.353 -7.489 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -8.141 -8.362 -6.530 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -8.116 -7.654 -8.163 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -8.126 -9.422 -7.960 1.00 0.00 H new ATOM 959 N GLU A 58 -3.733 -10.341 -11.229 1.00 0.00 N ATOM 960 CA GLU A 58 -3.093 -10.241 -12.535 1.00 0.00 C ATOM 961 C GLU A 58 -4.022 -9.581 -13.548 1.00 0.00 C ATOM 962 O GLU A 58 -5.086 -10.113 -13.868 1.00 0.00 O ATOM 963 CB GLU A 58 -2.681 -11.629 -13.032 1.00 0.00 C ATOM 964 CG GLU A 58 -1.487 -12.210 -12.292 1.00 0.00 C ATOM 965 CD GLU A 58 -0.538 -12.954 -13.211 1.00 0.00 C ATOM 966 OE1 GLU A 58 -0.812 -14.133 -13.519 1.00 0.00 O ATOM 967 OE2 GLU A 58 0.480 -12.358 -13.622 1.00 0.00 O ATOM 0 H GLU A 58 -4.153 -11.250 -11.033 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.203 -9.621 -12.429 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.527 -12.308 -12.930 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.446 -11.570 -14.095 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.947 -11.406 -11.792 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.840 -12.888 -11.515 1.00 0.00 H new TER 974 GLU A 58