USER MOD reduce.3.24.130724 H: found=0, std=0, add=488, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 488 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 ASN : amide:sc= -0.256 X(o=-4.5,f=-4.4) USER MOD Set 1.2: A 60 ASN : amide:sc= -4.25! C(o=-4.5!,f=-4.8!) USER MOD Set 2.1: A 22 TYR OH : rot 165:sc= 0.797 USER MOD Set 2.2: A 51 TYR OH : rot -85:sc= 1.35 USER MOD Set 3.1: A 1 ARG N :NH3+ 174:sc= -3.3! (180deg=-4.04!) USER MOD Set 3.2: A 18 LYS NZ :NH3+ -153:sc= -0.0427 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc=-0.00811 X(o=-0.0081,f=-0.23) USER MOD Single : A 5 LYS NZ :NH3+ 166:sc= -0.0431 (180deg=-0.19) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= -2.03! USER MOD Single : A 19 ASN : amide:sc= -3.76! C(o=-3.8!,f=-8.8!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl -124:sc= -0.0519 (180deg=-0.422) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.0007 X(o=-0.0007,f=0) USER MOD Single : A 31 THR OG1 : rot 67:sc= 0.042 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc=-0.00238 X(o=-0.0024,f=-0.061) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot -40:sc= 0.591 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -8.834 -7.878 5.498 1.00 0.00 N ATOM 2 CA ARG A 1 -10.163 -7.559 4.904 1.00 0.00 C ATOM 3 C ARG A 1 -9.969 -6.655 3.685 1.00 0.00 C ATOM 4 O ARG A 1 -9.878 -7.120 2.566 1.00 0.00 O ATOM 5 CB ARG A 1 -11.047 -6.846 5.939 1.00 0.00 C ATOM 6 CG ARG A 1 -10.182 -6.233 7.045 1.00 0.00 C ATOM 7 CD ARG A 1 -11.067 -5.832 8.225 1.00 0.00 C ATOM 8 NE ARG A 1 -10.209 -5.564 9.413 1.00 0.00 N ATOM 9 CZ ARG A 1 -10.747 -5.148 10.528 1.00 0.00 C ATOM 10 NH1 ARG A 1 -11.810 -4.392 10.499 1.00 0.00 N ATOM 11 NH2 ARG A 1 -10.220 -5.488 11.674 1.00 0.00 N ATOM 0 H1 ARG A 1 -8.967 -8.407 6.383 1.00 0.00 H new ATOM 0 H2 ARG A 1 -8.284 -8.455 4.830 1.00 0.00 H new ATOM 0 H3 ARG A 1 -8.321 -6.995 5.696 1.00 0.00 H new ATOM 0 HA ARG A 1 -10.651 -8.485 4.601 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -11.633 -6.066 5.452 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -11.755 -7.553 6.371 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -9.428 -6.950 7.370 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -9.650 -5.361 6.664 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -11.648 -4.945 7.974 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -11.779 -6.627 8.448 1.00 0.00 H new ATOM 0 HE ARG A 1 -9.201 -5.706 9.356 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -12.222 -4.125 9.605 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -12.229 -4.068 11.371 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -9.388 -6.078 11.698 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -10.640 -5.163 12.545 1.00 0.00 H new ATOM 27 N LYS A 2 -9.905 -5.368 3.888 1.00 0.00 N ATOM 28 CA LYS A 2 -9.716 -4.446 2.731 1.00 0.00 C ATOM 29 C LYS A 2 -8.768 -3.312 3.123 1.00 0.00 C ATOM 30 O LYS A 2 -8.379 -3.184 4.267 1.00 0.00 O ATOM 31 CB LYS A 2 -11.069 -3.859 2.318 1.00 0.00 C ATOM 32 CG LYS A 2 -11.954 -3.684 3.554 1.00 0.00 C ATOM 33 CD LYS A 2 -13.074 -4.727 3.530 1.00 0.00 C ATOM 34 CE LYS A 2 -14.328 -4.144 4.183 1.00 0.00 C ATOM 35 NZ LYS A 2 -15.060 -5.222 4.904 1.00 0.00 N ATOM 0 H LYS A 2 -9.975 -4.916 4.800 1.00 0.00 H new ATOM 0 HA LYS A 2 -9.289 -5.001 1.896 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -10.924 -2.898 1.824 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -11.558 -4.517 1.599 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -11.358 -3.795 4.460 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -12.378 -2.680 3.572 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -13.289 -5.021 2.503 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -12.760 -5.626 4.060 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -14.054 -3.349 4.877 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -14.971 -3.697 3.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -15.913 -4.826 5.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -15.334 -5.966 4.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -14.445 -5.629 5.637 1.00 0.00 H new ATOM 49 N CYS A 3 -8.407 -2.475 2.187 1.00 0.00 N ATOM 50 CA CYS A 3 -7.505 -1.340 2.512 1.00 0.00 C ATOM 51 C CYS A 3 -8.292 -0.047 2.310 1.00 0.00 C ATOM 52 O CYS A 3 -8.672 0.293 1.212 1.00 0.00 O ATOM 53 CB CYS A 3 -6.281 -1.365 1.583 1.00 0.00 C ATOM 54 SG CYS A 3 -6.006 -3.054 0.979 1.00 0.00 S ATOM 0 H CYS A 3 -8.700 -2.531 1.212 1.00 0.00 H new ATOM 0 HA CYS A 3 -7.154 -1.412 3.541 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -6.436 -0.689 0.742 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -5.399 -1.012 2.118 1.00 0.00 H new ATOM 59 N ASN A 4 -8.560 0.669 3.364 1.00 0.00 N ATOM 60 CA ASN A 4 -9.348 1.925 3.224 1.00 0.00 C ATOM 61 C ASN A 4 -8.455 3.052 2.704 1.00 0.00 C ATOM 62 O ASN A 4 -8.864 4.194 2.637 1.00 0.00 O ATOM 63 CB ASN A 4 -9.919 2.321 4.588 1.00 0.00 C ATOM 64 CG ASN A 4 -11.114 1.426 4.923 1.00 0.00 C ATOM 65 OD1 ASN A 4 -12.031 1.299 4.136 1.00 0.00 O ATOM 66 ND2 ASN A 4 -11.142 0.796 6.065 1.00 0.00 N ATOM 0 H ASN A 4 -8.269 0.441 4.315 1.00 0.00 H new ATOM 0 HA ASN A 4 -10.160 1.758 2.516 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -9.152 2.224 5.357 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -10.227 3.367 4.575 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -11.934 0.197 6.297 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -10.372 0.903 6.725 1.00 0.00 H new ATOM 73 N LYS A 5 -7.245 2.748 2.328 1.00 0.00 N ATOM 74 CA LYS A 5 -6.348 3.815 1.813 1.00 0.00 C ATOM 75 C LYS A 5 -5.310 3.223 0.860 1.00 0.00 C ATOM 76 O LYS A 5 -5.005 2.048 0.895 1.00 0.00 O ATOM 77 CB LYS A 5 -5.635 4.491 2.983 1.00 0.00 C ATOM 78 CG LYS A 5 -6.407 5.750 3.380 1.00 0.00 C ATOM 79 CD LYS A 5 -7.469 5.389 4.420 1.00 0.00 C ATOM 80 CE LYS A 5 -7.079 5.976 5.777 1.00 0.00 C ATOM 81 NZ LYS A 5 -8.131 5.648 6.780 1.00 0.00 N ATOM 0 H LYS A 5 -6.841 1.812 2.355 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.947 4.548 1.273 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -5.570 3.807 3.829 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -4.614 4.749 2.703 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -5.724 6.496 3.786 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -6.878 6.193 2.502 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.441 5.775 4.111 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -7.565 4.306 4.495 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -6.118 5.573 6.097 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -6.961 7.057 5.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -7.768 5.832 7.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -8.970 6.238 6.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -8.391 4.644 6.695 1.00 0.00 H new ATOM 95 N LEU A 6 -4.769 4.049 0.012 1.00 0.00 N ATOM 96 CA LEU A 6 -3.740 3.591 -0.964 1.00 0.00 C ATOM 97 C LEU A 6 -2.904 4.805 -1.363 1.00 0.00 C ATOM 98 O LEU A 6 -1.692 4.756 -1.442 1.00 0.00 O ATOM 99 CB LEU A 6 -4.432 3.022 -2.207 1.00 0.00 C ATOM 100 CG LEU A 6 -5.168 1.731 -1.839 1.00 0.00 C ATOM 101 CD1 LEU A 6 -6.606 2.062 -1.445 1.00 0.00 C ATOM 102 CD2 LEU A 6 -5.179 0.789 -3.043 1.00 0.00 C ATOM 0 H LEU A 6 -5.000 5.041 -0.048 1.00 0.00 H new ATOM 0 HA LEU A 6 -3.111 2.818 -0.522 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -5.135 3.751 -2.610 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.696 2.824 -2.986 1.00 0.00 H new ATOM 0 HG LEU A 6 -4.660 1.249 -1.003 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -7.132 1.144 -1.183 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -6.603 2.736 -0.588 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.111 2.543 -2.283 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -5.703 -0.130 -2.781 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -5.688 1.271 -3.878 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -4.154 0.553 -3.330 1.00 0.00 H new ATOM 114 N VAL A 7 -3.569 5.896 -1.596 1.00 0.00 N ATOM 115 CA VAL A 7 -2.887 7.159 -1.976 1.00 0.00 C ATOM 116 C VAL A 7 -3.498 8.249 -1.070 1.00 0.00 C ATOM 117 O VAL A 7 -4.129 7.904 -0.091 1.00 0.00 O ATOM 118 CB VAL A 7 -3.122 7.437 -3.478 1.00 0.00 C ATOM 119 CG1 VAL A 7 -1.813 7.910 -4.118 1.00 0.00 C ATOM 120 CG2 VAL A 7 -3.567 6.159 -4.213 1.00 0.00 C ATOM 0 H VAL A 7 -4.585 5.967 -1.537 1.00 0.00 H new ATOM 0 HA VAL A 7 -1.806 7.121 -1.838 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.899 8.196 -3.561 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -1.976 8.107 -5.178 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -1.477 8.823 -3.627 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.053 7.137 -4.005 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -3.725 6.383 -5.268 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.795 5.396 -4.116 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.496 5.793 -3.776 1.00 0.00 H new ATOM 130 N PRO A 8 -3.319 9.518 -1.367 1.00 0.00 N ATOM 131 CA PRO A 8 -3.883 10.576 -0.512 1.00 0.00 C ATOM 132 C PRO A 8 -5.397 10.690 -0.723 1.00 0.00 C ATOM 133 O PRO A 8 -6.122 11.111 0.155 1.00 0.00 O ATOM 134 CB PRO A 8 -3.144 11.841 -0.955 1.00 0.00 C ATOM 135 CG PRO A 8 -2.611 11.560 -2.377 1.00 0.00 C ATOM 136 CD PRO A 8 -2.575 10.028 -2.539 1.00 0.00 C ATOM 0 HA PRO A 8 -3.754 10.383 0.553 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -3.813 12.702 -0.954 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -2.326 12.072 -0.272 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -3.256 12.014 -3.129 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -1.617 11.987 -2.510 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -3.042 9.716 -3.473 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -1.551 9.654 -2.554 1.00 0.00 H new ATOM 144 N LEU A 9 -5.880 10.319 -1.877 1.00 0.00 N ATOM 145 CA LEU A 9 -7.343 10.409 -2.131 1.00 0.00 C ATOM 146 C LEU A 9 -7.847 9.103 -2.768 1.00 0.00 C ATOM 147 O LEU A 9 -8.667 9.116 -3.662 1.00 0.00 O ATOM 148 CB LEU A 9 -7.591 11.601 -3.062 1.00 0.00 C ATOM 149 CG LEU A 9 -7.446 11.193 -4.535 1.00 0.00 C ATOM 150 CD1 LEU A 9 -8.826 11.164 -5.196 1.00 0.00 C ATOM 151 CD2 LEU A 9 -6.561 12.213 -5.255 1.00 0.00 C ATOM 0 H LEU A 9 -5.325 9.958 -2.653 1.00 0.00 H new ATOM 0 HA LEU A 9 -7.885 10.554 -1.197 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.591 12.000 -2.889 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.885 12.399 -2.832 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.993 10.203 -4.597 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.723 10.874 -6.242 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.461 10.443 -4.681 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -9.279 12.154 -5.137 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.455 11.928 -6.302 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -7.019 13.200 -5.193 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.578 12.238 -4.784 1.00 0.00 H new ATOM 163 N PHE A 10 -7.356 7.973 -2.324 1.00 0.00 N ATOM 164 CA PHE A 10 -7.810 6.686 -2.930 1.00 0.00 C ATOM 165 C PHE A 10 -8.134 5.651 -1.845 1.00 0.00 C ATOM 166 O PHE A 10 -7.720 5.767 -0.708 1.00 0.00 O ATOM 167 CB PHE A 10 -6.695 6.138 -3.820 1.00 0.00 C ATOM 168 CG PHE A 10 -6.707 6.849 -5.152 1.00 0.00 C ATOM 169 CD1 PHE A 10 -6.059 8.083 -5.292 1.00 0.00 C ATOM 170 CD2 PHE A 10 -7.365 6.275 -6.246 1.00 0.00 C ATOM 171 CE1 PHE A 10 -6.070 8.741 -6.527 1.00 0.00 C ATOM 172 CE2 PHE A 10 -7.374 6.934 -7.482 1.00 0.00 C ATOM 173 CZ PHE A 10 -6.727 8.167 -7.622 1.00 0.00 C ATOM 0 H PHE A 10 -6.668 7.887 -1.576 1.00 0.00 H new ATOM 0 HA PHE A 10 -8.712 6.874 -3.512 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -5.729 6.274 -3.334 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -6.829 5.066 -3.968 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -5.552 8.526 -4.448 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -7.866 5.324 -6.137 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -5.571 9.693 -6.636 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -7.880 6.491 -8.327 1.00 0.00 H new ATOM 0 HZ PHE A 10 -6.735 8.676 -8.575 1.00 0.00 H new ATOM 183 N TYR A 11 -8.867 4.630 -2.209 1.00 0.00 N ATOM 184 CA TYR A 11 -9.231 3.553 -1.239 1.00 0.00 C ATOM 185 C TYR A 11 -9.644 2.309 -2.039 1.00 0.00 C ATOM 186 O TYR A 11 -10.217 2.421 -3.105 1.00 0.00 O ATOM 187 CB TYR A 11 -10.402 4.014 -0.370 1.00 0.00 C ATOM 188 CG TYR A 11 -11.576 4.363 -1.253 1.00 0.00 C ATOM 189 CD1 TYR A 11 -11.582 5.569 -1.965 1.00 0.00 C ATOM 190 CD2 TYR A 11 -12.657 3.482 -1.361 1.00 0.00 C ATOM 191 CE1 TYR A 11 -12.670 5.893 -2.783 1.00 0.00 C ATOM 192 CE2 TYR A 11 -13.747 3.806 -2.179 1.00 0.00 C ATOM 193 CZ TYR A 11 -13.752 5.012 -2.890 1.00 0.00 C ATOM 194 OH TYR A 11 -14.826 5.332 -3.698 1.00 0.00 O ATOM 0 H TYR A 11 -9.234 4.495 -3.151 1.00 0.00 H new ATOM 0 HA TYR A 11 -8.383 3.326 -0.594 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -10.681 3.227 0.330 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -10.110 4.880 0.224 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -10.747 6.249 -1.883 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -12.651 2.551 -0.813 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -12.675 6.823 -3.332 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -14.582 3.126 -2.261 1.00 0.00 H new ATOM 0 HH TYR A 11 -15.490 4.612 -3.660 1.00 0.00 H new ATOM 204 N LYS A 12 -9.361 1.124 -1.556 1.00 0.00 N ATOM 205 CA LYS A 12 -9.751 -0.091 -2.330 1.00 0.00 C ATOM 206 C LYS A 12 -10.032 -1.254 -1.378 1.00 0.00 C ATOM 207 O LYS A 12 -9.645 -1.238 -0.228 1.00 0.00 O ATOM 208 CB LYS A 12 -8.614 -0.476 -3.279 1.00 0.00 C ATOM 209 CG LYS A 12 -8.508 0.562 -4.398 1.00 0.00 C ATOM 210 CD LYS A 12 -9.787 0.544 -5.237 1.00 0.00 C ATOM 211 CE LYS A 12 -9.451 0.893 -6.688 1.00 0.00 C ATOM 212 NZ LYS A 12 -9.845 2.304 -6.963 1.00 0.00 N ATOM 0 H LYS A 12 -8.884 0.948 -0.672 1.00 0.00 H new ATOM 0 HA LYS A 12 -10.653 0.127 -2.903 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.673 -0.533 -2.732 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -8.798 -1.464 -3.701 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -8.353 1.554 -3.974 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -7.645 0.346 -5.028 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -10.253 -0.440 -5.187 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -10.507 1.258 -4.837 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -8.384 0.760 -6.868 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -9.975 0.219 -7.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -9.617 2.542 -7.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -10.867 2.416 -6.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -9.326 2.940 -6.324 1.00 0.00 H new ATOM 226 N THR A 13 -10.701 -2.268 -1.855 1.00 0.00 N ATOM 227 CA THR A 13 -11.006 -3.437 -0.984 1.00 0.00 C ATOM 228 C THR A 13 -10.238 -4.658 -1.490 1.00 0.00 C ATOM 229 O THR A 13 -9.591 -4.613 -2.518 1.00 0.00 O ATOM 230 CB THR A 13 -12.509 -3.723 -1.024 1.00 0.00 C ATOM 231 OG1 THR A 13 -12.828 -4.710 -0.053 1.00 0.00 O ATOM 232 CG2 THR A 13 -12.898 -4.227 -2.415 1.00 0.00 C ATOM 0 H THR A 13 -11.050 -2.337 -2.811 1.00 0.00 H new ATOM 0 HA THR A 13 -10.707 -3.219 0.041 1.00 0.00 H new ATOM 0 HB THR A 13 -13.059 -2.808 -0.806 1.00 0.00 H new ATOM 0 HG1 THR A 13 -13.791 -4.893 -0.076 1.00 0.00 H new ATOM 0 HG21 THR A 13 -13.969 -4.430 -2.442 1.00 0.00 H new ATOM 0 HG22 THR A 13 -12.654 -3.468 -3.158 1.00 0.00 H new ATOM 0 HG23 THR A 13 -12.349 -5.142 -2.637 1.00 0.00 H new ATOM 240 N CYS A 14 -10.303 -5.751 -0.780 1.00 0.00 N ATOM 241 CA CYS A 14 -9.572 -6.971 -1.227 1.00 0.00 C ATOM 242 C CYS A 14 -10.507 -8.182 -1.168 1.00 0.00 C ATOM 243 O CYS A 14 -11.446 -8.203 -0.395 1.00 0.00 O ATOM 244 CB CYS A 14 -8.372 -7.210 -0.309 1.00 0.00 C ATOM 245 SG CYS A 14 -6.862 -6.641 -1.129 1.00 0.00 S ATOM 0 H CYS A 14 -10.829 -5.852 0.088 1.00 0.00 H new ATOM 0 HA CYS A 14 -9.227 -6.830 -2.251 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -8.509 -6.679 0.633 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -8.290 -8.270 -0.068 1.00 0.00 H new ATOM 250 N PRO A 15 -10.217 -9.159 -1.988 1.00 0.00 N ATOM 251 CA PRO A 15 -11.010 -10.398 -2.060 1.00 0.00 C ATOM 252 C PRO A 15 -10.670 -11.318 -0.884 1.00 0.00 C ATOM 253 O PRO A 15 -9.838 -11.000 -0.057 1.00 0.00 O ATOM 254 CB PRO A 15 -10.576 -11.026 -3.388 1.00 0.00 C ATOM 255 CG PRO A 15 -9.188 -10.430 -3.720 1.00 0.00 C ATOM 256 CD PRO A 15 -9.072 -9.118 -2.922 1.00 0.00 C ATOM 0 HA PRO A 15 -12.085 -10.223 -2.008 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -10.523 -12.112 -3.305 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -11.294 -10.801 -4.177 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -8.393 -11.123 -3.445 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -9.092 -10.243 -4.790 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -8.124 -9.060 -2.387 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -9.123 -8.248 -3.577 1.00 0.00 H new ATOM 264 N ALA A 16 -11.306 -12.453 -0.801 1.00 0.00 N ATOM 265 CA ALA A 16 -11.018 -13.388 0.323 1.00 0.00 C ATOM 266 C ALA A 16 -9.719 -14.147 0.039 1.00 0.00 C ATOM 267 O ALA A 16 -9.250 -14.918 0.853 1.00 0.00 O ATOM 268 CB ALA A 16 -12.170 -14.385 0.466 1.00 0.00 C ATOM 0 H ALA A 16 -12.013 -12.774 -1.463 1.00 0.00 H new ATOM 0 HA ALA A 16 -10.911 -12.820 1.247 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -11.959 -15.069 1.288 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -13.095 -13.846 0.671 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -12.278 -14.952 -0.459 1.00 0.00 H new ATOM 274 N GLY A 17 -9.135 -13.935 -1.108 1.00 0.00 N ATOM 275 CA GLY A 17 -7.867 -14.647 -1.439 1.00 0.00 C ATOM 276 C GLY A 17 -6.680 -13.705 -1.230 1.00 0.00 C ATOM 277 O GLY A 17 -5.961 -13.382 -2.155 1.00 0.00 O ATOM 0 H GLY A 17 -9.479 -13.301 -1.829 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -7.759 -15.530 -0.809 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -7.892 -14.994 -2.472 1.00 0.00 H new ATOM 281 N LYS A 18 -6.468 -13.262 -0.021 1.00 0.00 N ATOM 282 CA LYS A 18 -5.326 -12.343 0.247 1.00 0.00 C ATOM 283 C LYS A 18 -4.840 -12.540 1.684 1.00 0.00 C ATOM 284 O LYS A 18 -5.320 -13.396 2.400 1.00 0.00 O ATOM 285 CB LYS A 18 -5.781 -10.894 0.056 1.00 0.00 C ATOM 286 CG LYS A 18 -7.005 -10.622 0.932 1.00 0.00 C ATOM 287 CD LYS A 18 -6.569 -9.901 2.209 1.00 0.00 C ATOM 288 CE LYS A 18 -6.941 -10.749 3.426 1.00 0.00 C ATOM 289 NZ LYS A 18 -8.408 -10.653 3.667 1.00 0.00 N ATOM 0 H LYS A 18 -7.036 -13.497 0.793 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.513 -12.562 -0.445 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -4.974 -10.211 0.319 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.023 -10.713 -0.991 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -7.727 -10.014 0.387 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -7.502 -11.559 1.183 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -5.494 -9.724 2.190 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -7.051 -8.925 2.271 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -6.656 -11.788 3.260 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -6.394 -10.405 4.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -8.605 -10.813 4.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -8.743 -9.707 3.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -8.901 -11.372 3.100 1.00 0.00 H new ATOM 303 N ASN A 19 -3.893 -11.751 2.114 1.00 0.00 N ATOM 304 CA ASN A 19 -3.381 -11.895 3.507 1.00 0.00 C ATOM 305 C ASN A 19 -3.385 -10.530 4.196 1.00 0.00 C ATOM 306 O ASN A 19 -3.923 -10.371 5.273 1.00 0.00 O ATOM 307 CB ASN A 19 -1.955 -12.447 3.477 1.00 0.00 C ATOM 308 CG ASN A 19 -1.962 -13.853 2.874 1.00 0.00 C ATOM 309 OD1 ASN A 19 -2.577 -14.084 1.851 1.00 0.00 O ATOM 310 ND2 ASN A 19 -1.302 -14.807 3.470 1.00 0.00 N ATOM 0 H ASN A 19 -3.453 -11.015 1.563 1.00 0.00 H new ATOM 0 HA ASN A 19 -4.023 -12.583 4.058 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -1.313 -11.791 2.889 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -1.544 -12.475 4.486 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -1.301 -15.749 3.078 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -0.787 -14.611 4.328 1.00 0.00 H new ATOM 317 N LEU A 20 -2.792 -9.541 3.585 1.00 0.00 N ATOM 318 CA LEU A 20 -2.770 -8.193 4.215 1.00 0.00 C ATOM 319 C LEU A 20 -2.826 -7.111 3.128 1.00 0.00 C ATOM 320 O LEU A 20 -3.425 -7.299 2.086 1.00 0.00 O ATOM 321 CB LEU A 20 -1.499 -8.041 5.058 1.00 0.00 C ATOM 322 CG LEU A 20 -0.262 -8.102 4.164 1.00 0.00 C ATOM 323 CD1 LEU A 20 0.400 -6.725 4.099 1.00 0.00 C ATOM 324 CD2 LEU A 20 0.731 -9.113 4.744 1.00 0.00 C ATOM 0 H LEU A 20 -2.324 -9.608 2.681 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.638 -8.080 4.864 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.522 -7.093 5.595 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.454 -8.831 5.807 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.558 -8.407 3.160 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.282 -6.775 3.460 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.305 -6.001 3.689 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.696 -6.416 5.102 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.616 -9.160 4.109 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.021 -8.803 5.748 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.264 -10.097 4.789 1.00 0.00 H new ATOM 336 N CYS A 21 -2.220 -5.977 3.361 1.00 0.00 N ATOM 337 CA CYS A 21 -2.260 -4.883 2.340 1.00 0.00 C ATOM 338 C CYS A 21 -1.101 -3.921 2.605 1.00 0.00 C ATOM 339 O CYS A 21 -0.736 -3.676 3.737 1.00 0.00 O ATOM 340 CB CYS A 21 -3.598 -4.139 2.462 1.00 0.00 C ATOM 341 SG CYS A 21 -3.992 -3.267 0.923 1.00 0.00 S ATOM 0 H CYS A 21 -1.700 -5.759 4.211 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.167 -5.294 1.335 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -4.393 -4.847 2.698 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -3.550 -3.427 3.286 1.00 0.00 H new ATOM 346 N TYR A 22 -0.509 -3.381 1.575 1.00 0.00 N ATOM 347 CA TYR A 22 0.633 -2.451 1.793 1.00 0.00 C ATOM 348 C TYR A 22 0.578 -1.305 0.788 1.00 0.00 C ATOM 349 O TYR A 22 -0.007 -1.416 -0.271 1.00 0.00 O ATOM 350 CB TYR A 22 1.955 -3.209 1.617 1.00 0.00 C ATOM 351 CG TYR A 22 2.276 -3.353 0.147 1.00 0.00 C ATOM 352 CD1 TYR A 22 1.402 -4.048 -0.698 1.00 0.00 C ATOM 353 CD2 TYR A 22 3.445 -2.786 -0.371 1.00 0.00 C ATOM 354 CE1 TYR A 22 1.697 -4.175 -2.059 1.00 0.00 C ATOM 355 CE2 TYR A 22 3.740 -2.911 -1.733 1.00 0.00 C ATOM 356 CZ TYR A 22 2.867 -3.606 -2.577 1.00 0.00 C ATOM 357 OH TYR A 22 3.158 -3.730 -3.921 1.00 0.00 O ATOM 0 H TYR A 22 -0.764 -3.542 0.601 1.00 0.00 H new ATOM 0 HA TYR A 22 0.569 -2.047 2.803 1.00 0.00 H new ATOM 0 HB2 TYR A 22 2.760 -2.676 2.123 1.00 0.00 H new ATOM 0 HB3 TYR A 22 1.884 -4.193 2.080 1.00 0.00 H new ATOM 0 HD1 TYR A 22 0.499 -4.486 -0.298 1.00 0.00 H new ATOM 0 HD2 TYR A 22 4.120 -2.251 0.281 1.00 0.00 H new ATOM 0 HE1 TYR A 22 1.023 -4.712 -2.710 1.00 0.00 H new ATOM 0 HE2 TYR A 22 4.642 -2.471 -2.133 1.00 0.00 H new ATOM 0 HH TYR A 22 3.860 -3.091 -4.164 1.00 0.00 H new ATOM 367 N LYS A 23 1.215 -0.219 1.102 1.00 0.00 N ATOM 368 CA LYS A 23 1.237 0.925 0.161 1.00 0.00 C ATOM 369 C LYS A 23 2.603 0.955 -0.526 1.00 0.00 C ATOM 370 O LYS A 23 3.635 1.050 0.118 1.00 0.00 O ATOM 371 CB LYS A 23 1.007 2.234 0.919 1.00 0.00 C ATOM 372 CG LYS A 23 0.029 1.998 2.074 1.00 0.00 C ATOM 373 CD LYS A 23 0.083 3.187 3.036 1.00 0.00 C ATOM 374 CE LYS A 23 -1.256 3.927 3.011 1.00 0.00 C ATOM 375 NZ LYS A 23 -1.012 5.397 3.062 1.00 0.00 N ATOM 0 H LYS A 23 1.724 -0.074 1.974 1.00 0.00 H new ATOM 0 HA LYS A 23 0.445 0.813 -0.580 1.00 0.00 H new ATOM 0 HB2 LYS A 23 1.954 2.614 1.303 1.00 0.00 H new ATOM 0 HB3 LYS A 23 0.610 2.992 0.243 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -0.983 1.873 1.689 1.00 0.00 H new ATOM 0 HG3 LYS A 23 0.285 1.078 2.600 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.300 2.841 4.047 1.00 0.00 H new ATOM 0 HD3 LYS A 23 0.889 3.863 2.750 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -1.809 3.670 2.107 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.869 3.620 3.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -1.922 5.901 3.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -0.501 5.634 3.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -0.443 5.683 2.240 1.00 0.00 H new ATOM 389 N MET A 24 2.615 0.859 -1.827 1.00 0.00 N ATOM 390 CA MET A 24 3.902 0.873 -2.574 1.00 0.00 C ATOM 391 C MET A 24 4.206 2.303 -3.015 1.00 0.00 C ATOM 392 O MET A 24 3.378 2.963 -3.611 1.00 0.00 O ATOM 393 CB MET A 24 3.776 -0.023 -3.808 1.00 0.00 C ATOM 394 CG MET A 24 5.157 -0.248 -4.422 1.00 0.00 C ATOM 395 SD MET A 24 4.985 -0.563 -6.197 1.00 0.00 S ATOM 396 CE MET A 24 4.707 1.152 -6.703 1.00 0.00 C ATOM 0 H MET A 24 1.781 0.771 -2.408 1.00 0.00 H new ATOM 0 HA MET A 24 4.706 0.506 -1.936 1.00 0.00 H new ATOM 0 HB2 MET A 24 3.330 -0.978 -3.532 1.00 0.00 H new ATOM 0 HB3 MET A 24 3.113 0.439 -4.539 1.00 0.00 H new ATOM 0 HG2 MET A 24 5.787 0.626 -4.256 1.00 0.00 H new ATOM 0 HG3 MET A 24 5.649 -1.092 -3.938 1.00 0.00 H new ATOM 0 HE1 MET A 24 3.768 1.222 -7.252 1.00 0.00 H new ATOM 0 HE2 MET A 24 4.659 1.789 -5.820 1.00 0.00 H new ATOM 0 HE3 MET A 24 5.526 1.480 -7.343 1.00 0.00 H new ATOM 406 N PHE A 25 5.382 2.791 -2.728 1.00 0.00 N ATOM 407 CA PHE A 25 5.720 4.185 -3.137 1.00 0.00 C ATOM 408 C PHE A 25 7.094 4.212 -3.809 1.00 0.00 C ATOM 409 O PHE A 25 7.640 3.189 -4.177 1.00 0.00 O ATOM 410 CB PHE A 25 5.751 5.093 -1.907 1.00 0.00 C ATOM 411 CG PHE A 25 4.444 4.990 -1.155 1.00 0.00 C ATOM 412 CD1 PHE A 25 3.232 4.901 -1.849 1.00 0.00 C ATOM 413 CD2 PHE A 25 4.448 4.980 0.244 1.00 0.00 C ATOM 414 CE1 PHE A 25 2.027 4.801 -1.143 1.00 0.00 C ATOM 415 CE2 PHE A 25 3.243 4.883 0.948 1.00 0.00 C ATOM 416 CZ PHE A 25 2.033 4.794 0.254 1.00 0.00 C ATOM 0 H PHE A 25 6.119 2.290 -2.232 1.00 0.00 H new ATOM 0 HA PHE A 25 4.963 4.539 -3.837 1.00 0.00 H new ATOM 0 HB2 PHE A 25 6.578 4.809 -1.256 1.00 0.00 H new ATOM 0 HB3 PHE A 25 5.925 6.125 -2.211 1.00 0.00 H new ATOM 0 HD1 PHE A 25 3.226 4.909 -2.929 1.00 0.00 H new ATOM 0 HD2 PHE A 25 5.383 5.047 0.781 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.092 4.729 -1.679 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.248 4.877 2.028 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.103 4.720 0.798 1.00 0.00 H new ATOM 426 N MET A 26 7.659 5.380 -3.968 1.00 0.00 N ATOM 427 CA MET A 26 8.998 5.479 -4.615 1.00 0.00 C ATOM 428 C MET A 26 9.892 6.417 -3.800 1.00 0.00 C ATOM 429 O MET A 26 9.431 7.128 -2.929 1.00 0.00 O ATOM 430 CB MET A 26 8.840 6.031 -6.033 1.00 0.00 C ATOM 431 CG MET A 26 9.190 4.940 -7.046 1.00 0.00 C ATOM 432 SD MET A 26 8.476 5.359 -8.655 1.00 0.00 S ATOM 433 CE MET A 26 9.059 3.898 -9.549 1.00 0.00 C ATOM 0 H MET A 26 7.251 6.268 -3.678 1.00 0.00 H new ATOM 0 HA MET A 26 9.454 4.490 -4.658 1.00 0.00 H new ATOM 0 HB2 MET A 26 7.817 6.373 -6.190 1.00 0.00 H new ATOM 0 HB3 MET A 26 9.490 6.895 -6.173 1.00 0.00 H new ATOM 0 HG2 MET A 26 10.272 4.841 -7.131 1.00 0.00 H new ATOM 0 HG3 MET A 26 8.808 3.977 -6.706 1.00 0.00 H new ATOM 0 HE1 MET A 26 8.726 3.949 -10.586 1.00 0.00 H new ATOM 0 HE2 MET A 26 10.148 3.864 -9.519 1.00 0.00 H new ATOM 0 HE3 MET A 26 8.655 3.000 -9.082 1.00 0.00 H new ATOM 443 N VAL A 27 11.168 6.425 -4.076 1.00 0.00 N ATOM 444 CA VAL A 27 12.090 7.317 -3.317 1.00 0.00 C ATOM 445 C VAL A 27 13.039 8.016 -4.292 1.00 0.00 C ATOM 446 O VAL A 27 14.244 7.957 -4.148 1.00 0.00 O ATOM 447 CB VAL A 27 12.902 6.482 -2.326 1.00 0.00 C ATOM 448 CG1 VAL A 27 13.910 7.379 -1.607 1.00 0.00 C ATOM 449 CG2 VAL A 27 11.959 5.850 -1.299 1.00 0.00 C ATOM 0 H VAL A 27 11.612 5.852 -4.794 1.00 0.00 H new ATOM 0 HA VAL A 27 11.511 8.064 -2.775 1.00 0.00 H new ATOM 0 HB VAL A 27 13.434 5.697 -2.864 1.00 0.00 H new ATOM 0 HG11 VAL A 27 14.488 6.783 -0.901 1.00 0.00 H new ATOM 0 HG12 VAL A 27 14.582 7.829 -2.337 1.00 0.00 H new ATOM 0 HG13 VAL A 27 13.379 8.165 -1.069 1.00 0.00 H new ATOM 0 HG21 VAL A 27 12.537 5.255 -0.592 1.00 0.00 H new ATOM 0 HG22 VAL A 27 11.427 6.635 -0.762 1.00 0.00 H new ATOM 0 HG23 VAL A 27 11.241 5.209 -1.811 1.00 0.00 H new ATOM 459 N SER A 28 12.508 8.675 -5.286 1.00 0.00 N ATOM 460 CA SER A 28 13.387 9.372 -6.267 1.00 0.00 C ATOM 461 C SER A 28 12.958 10.836 -6.399 1.00 0.00 C ATOM 462 O SER A 28 13.765 11.703 -6.673 1.00 0.00 O ATOM 463 CB SER A 28 13.274 8.684 -7.629 1.00 0.00 C ATOM 464 OG SER A 28 11.973 8.129 -7.770 1.00 0.00 O ATOM 0 H SER A 28 11.507 8.761 -5.461 1.00 0.00 H new ATOM 0 HA SER A 28 14.419 9.330 -5.919 1.00 0.00 H new ATOM 0 HB2 SER A 28 13.464 9.401 -8.428 1.00 0.00 H new ATOM 0 HB3 SER A 28 14.027 7.901 -7.717 1.00 0.00 H new ATOM 0 HG SER A 28 11.898 7.689 -8.643 1.00 0.00 H new ATOM 470 N ASN A 29 11.699 11.121 -6.209 1.00 0.00 N ATOM 471 CA ASN A 29 11.232 12.531 -6.330 1.00 0.00 C ATOM 472 C ASN A 29 10.289 12.864 -5.172 1.00 0.00 C ATOM 473 O ASN A 29 10.259 12.183 -4.166 1.00 0.00 O ATOM 474 CB ASN A 29 10.490 12.709 -7.657 1.00 0.00 C ATOM 475 CG ASN A 29 11.082 13.897 -8.417 1.00 0.00 C ATOM 476 OD1 ASN A 29 12.165 13.808 -8.960 1.00 0.00 O ATOM 477 ND2 ASN A 29 10.412 15.017 -8.478 1.00 0.00 N ATOM 0 H ASN A 29 10.975 10.441 -5.976 1.00 0.00 H new ATOM 0 HA ASN A 29 12.092 13.200 -6.298 1.00 0.00 H new ATOM 0 HB2 ASN A 29 10.573 11.802 -8.257 1.00 0.00 H new ATOM 0 HB3 ASN A 29 9.428 12.874 -7.473 1.00 0.00 H new ATOM 0 HD21 ASN A 29 10.798 15.816 -8.981 1.00 0.00 H new ATOM 0 HD22 ASN A 29 9.503 15.093 -8.022 1.00 0.00 H new ATOM 484 N LEU A 30 9.518 13.910 -5.307 1.00 0.00 N ATOM 485 CA LEU A 30 8.576 14.290 -4.215 1.00 0.00 C ATOM 486 C LEU A 30 7.237 13.582 -4.427 1.00 0.00 C ATOM 487 O LEU A 30 6.315 14.133 -4.993 1.00 0.00 O ATOM 488 CB LEU A 30 8.360 15.806 -4.234 1.00 0.00 C ATOM 489 CG LEU A 30 9.541 16.499 -3.554 1.00 0.00 C ATOM 490 CD1 LEU A 30 9.521 16.190 -2.056 1.00 0.00 C ATOM 491 CD2 LEU A 30 10.848 15.989 -4.163 1.00 0.00 C ATOM 0 H LEU A 30 9.500 14.517 -6.126 1.00 0.00 H new ATOM 0 HA LEU A 30 8.995 13.994 -3.253 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.261 16.157 -5.261 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.432 16.058 -3.721 1.00 0.00 H new ATOM 0 HG LEU A 30 9.466 17.576 -3.703 1.00 0.00 H new ATOM 0 HD11 LEU A 30 10.363 16.684 -1.571 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.589 16.552 -1.622 1.00 0.00 H new ATOM 0 HD13 LEU A 30 9.597 15.113 -1.906 1.00 0.00 H new ATOM 0 HD21 LEU A 30 11.691 16.482 -3.680 1.00 0.00 H new ATOM 0 HD22 LEU A 30 10.923 14.912 -4.014 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.862 16.209 -5.230 1.00 0.00 H new ATOM 503 N THR A 31 7.122 12.362 -3.976 1.00 0.00 N ATOM 504 CA THR A 31 5.842 11.621 -4.152 1.00 0.00 C ATOM 505 C THR A 31 5.782 10.467 -3.150 1.00 0.00 C ATOM 506 O THR A 31 5.662 9.316 -3.521 1.00 0.00 O ATOM 507 CB THR A 31 5.767 11.065 -5.577 1.00 0.00 C ATOM 508 OG1 THR A 31 6.971 10.372 -5.878 1.00 0.00 O ATOM 509 CG2 THR A 31 5.576 12.216 -6.568 1.00 0.00 C ATOM 0 H THR A 31 7.859 11.848 -3.494 1.00 0.00 H new ATOM 0 HA THR A 31 5.003 12.296 -3.981 1.00 0.00 H new ATOM 0 HB THR A 31 4.924 10.379 -5.655 1.00 0.00 H new ATOM 0 HG1 THR A 31 7.037 9.571 -5.317 1.00 0.00 H new ATOM 0 HG21 THR A 31 5.523 11.818 -7.582 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.652 12.745 -6.337 1.00 0.00 H new ATOM 0 HG23 THR A 31 6.417 12.905 -6.492 1.00 0.00 H new ATOM 517 N VAL A 32 5.866 10.764 -1.881 1.00 0.00 N ATOM 518 CA VAL A 32 5.817 9.679 -0.860 1.00 0.00 C ATOM 519 C VAL A 32 4.651 8.731 -1.162 1.00 0.00 C ATOM 520 O VAL A 32 4.826 7.532 -1.156 1.00 0.00 O ATOM 521 CB VAL A 32 5.650 10.267 0.548 1.00 0.00 C ATOM 522 CG1 VAL A 32 6.234 9.294 1.573 1.00 0.00 C ATOM 523 CG2 VAL A 32 6.390 11.604 0.647 1.00 0.00 C ATOM 0 H VAL A 32 5.966 11.708 -1.508 1.00 0.00 H new ATOM 0 HA VAL A 32 6.756 9.126 -0.900 1.00 0.00 H new ATOM 0 HB VAL A 32 4.590 10.426 0.746 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.118 9.708 2.575 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.709 8.341 1.511 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.293 9.139 1.365 1.00 0.00 H new ATOM 0 HG21 VAL A 32 6.267 12.015 1.649 1.00 0.00 H new ATOM 0 HG22 VAL A 32 7.450 11.449 0.446 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.981 12.301 -0.084 1.00 0.00 H new ATOM 533 N PRO A 33 3.491 9.288 -1.419 1.00 0.00 N ATOM 534 CA PRO A 33 2.295 8.488 -1.727 1.00 0.00 C ATOM 535 C PRO A 33 2.333 8.037 -3.189 1.00 0.00 C ATOM 536 O PRO A 33 2.784 8.759 -4.055 1.00 0.00 O ATOM 537 CB PRO A 33 1.138 9.459 -1.486 1.00 0.00 C ATOM 538 CG PRO A 33 1.731 10.883 -1.612 1.00 0.00 C ATOM 539 CD PRO A 33 3.255 10.749 -1.424 1.00 0.00 C ATOM 0 HA PRO A 33 2.212 7.583 -1.125 1.00 0.00 H new ATOM 0 HB2 PRO A 33 0.342 9.304 -2.214 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.701 9.306 -0.499 1.00 0.00 H new ATOM 0 HG2 PRO A 33 1.498 11.314 -2.586 1.00 0.00 H new ATOM 0 HG3 PRO A 33 1.306 11.547 -0.859 1.00 0.00 H new ATOM 0 HD2 PRO A 33 3.801 11.238 -2.231 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.584 11.209 -0.492 1.00 0.00 H new ATOM 547 N VAL A 34 1.859 6.856 -3.476 1.00 0.00 N ATOM 548 CA VAL A 34 1.869 6.382 -4.884 1.00 0.00 C ATOM 549 C VAL A 34 0.724 5.391 -5.112 1.00 0.00 C ATOM 550 O VAL A 34 -0.200 5.665 -5.853 1.00 0.00 O ATOM 551 CB VAL A 34 3.209 5.715 -5.202 1.00 0.00 C ATOM 552 CG1 VAL A 34 3.350 5.555 -6.717 1.00 0.00 C ATOM 553 CG2 VAL A 34 4.347 6.594 -4.677 1.00 0.00 C ATOM 0 H VAL A 34 1.467 6.203 -2.798 1.00 0.00 H new ATOM 0 HA VAL A 34 1.733 7.237 -5.546 1.00 0.00 H new ATOM 0 HB VAL A 34 3.252 4.735 -4.726 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.304 5.080 -6.945 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.537 4.936 -7.095 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.310 6.535 -7.192 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.304 6.123 -4.901 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.303 7.572 -5.157 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.246 6.714 -3.598 1.00 0.00 H new ATOM 563 N LYS A 35 0.769 4.243 -4.491 1.00 0.00 N ATOM 564 CA LYS A 35 -0.332 3.255 -4.694 1.00 0.00 C ATOM 565 C LYS A 35 -0.344 2.233 -3.554 1.00 0.00 C ATOM 566 O LYS A 35 0.416 2.326 -2.612 1.00 0.00 O ATOM 567 CB LYS A 35 -0.121 2.526 -6.023 1.00 0.00 C ATOM 568 CG LYS A 35 -1.107 3.065 -7.061 1.00 0.00 C ATOM 569 CD LYS A 35 -0.333 3.610 -8.263 1.00 0.00 C ATOM 570 CE LYS A 35 -0.824 2.925 -9.540 1.00 0.00 C ATOM 571 NZ LYS A 35 0.122 1.836 -9.915 1.00 0.00 N ATOM 0 H LYS A 35 1.512 3.948 -3.858 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.285 3.785 -4.707 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.903 2.668 -6.370 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.267 1.454 -5.889 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.785 2.273 -7.380 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.720 3.852 -6.622 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.472 4.688 -8.340 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.735 3.435 -8.131 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.823 2.516 -9.385 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -0.899 3.651 -10.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.211 1.370 -10.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 1.067 2.238 -10.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.171 1.139 -9.145 1.00 0.00 H new ATOM 585 N ARG A 36 -1.210 1.258 -3.643 1.00 0.00 N ATOM 586 CA ARG A 36 -1.292 0.214 -2.579 1.00 0.00 C ATOM 587 C ARG A 36 -2.010 -1.015 -3.151 1.00 0.00 C ATOM 588 O ARG A 36 -2.762 -0.920 -4.100 1.00 0.00 O ATOM 589 CB ARG A 36 -2.065 0.775 -1.376 1.00 0.00 C ATOM 590 CG ARG A 36 -2.743 -0.355 -0.590 1.00 0.00 C ATOM 591 CD ARG A 36 -3.126 0.147 0.804 1.00 0.00 C ATOM 592 NE ARG A 36 -2.225 -0.467 1.819 1.00 0.00 N ATOM 593 CZ ARG A 36 -2.222 -0.018 3.045 1.00 0.00 C ATOM 594 NH1 ARG A 36 -3.303 0.508 3.552 1.00 0.00 N ATOM 595 NH2 ARG A 36 -1.136 -0.097 3.764 1.00 0.00 N ATOM 0 H ARG A 36 -1.869 1.139 -4.413 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.293 -0.073 -2.249 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -1.384 1.321 -0.723 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.816 1.486 -1.720 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -3.631 -0.699 -1.120 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.070 -1.209 -0.508 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.050 1.234 0.844 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.163 -0.108 1.022 1.00 0.00 H new ATOM 0 HE ARG A 36 -1.611 -1.238 1.556 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -4.152 0.569 2.990 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.299 0.858 4.510 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -0.291 -0.509 3.368 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -1.132 0.253 4.722 1.00 0.00 H new ATOM 609 N GLY A 37 -1.784 -2.165 -2.579 1.00 0.00 N ATOM 610 CA GLY A 37 -2.456 -3.396 -3.087 1.00 0.00 C ATOM 611 C GLY A 37 -2.525 -4.434 -1.967 1.00 0.00 C ATOM 612 O GLY A 37 -2.133 -4.176 -0.847 1.00 0.00 O ATOM 0 H GLY A 37 -1.163 -2.307 -1.782 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.460 -3.157 -3.439 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.907 -3.799 -3.938 1.00 0.00 H new ATOM 616 N CYS A 38 -3.012 -5.610 -2.258 1.00 0.00 N ATOM 617 CA CYS A 38 -3.098 -6.655 -1.199 1.00 0.00 C ATOM 618 C CYS A 38 -1.717 -7.274 -0.998 1.00 0.00 C ATOM 619 O CYS A 38 -0.744 -6.836 -1.578 1.00 0.00 O ATOM 620 CB CYS A 38 -4.088 -7.741 -1.627 1.00 0.00 C ATOM 621 SG CYS A 38 -5.420 -7.856 -0.408 1.00 0.00 S ATOM 0 H CYS A 38 -3.352 -5.891 -3.178 1.00 0.00 H new ATOM 0 HA CYS A 38 -3.441 -6.206 -0.267 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -4.499 -7.507 -2.609 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -3.577 -8.700 -1.715 1.00 0.00 H new ATOM 626 N ILE A 39 -1.611 -8.280 -0.173 1.00 0.00 N ATOM 627 CA ILE A 39 -0.277 -8.897 0.057 1.00 0.00 C ATOM 628 C ILE A 39 -0.442 -10.314 0.620 1.00 0.00 C ATOM 629 O ILE A 39 -1.489 -10.688 1.109 1.00 0.00 O ATOM 630 CB ILE A 39 0.507 -8.014 1.050 1.00 0.00 C ATOM 631 CG1 ILE A 39 1.408 -7.049 0.279 1.00 0.00 C ATOM 632 CG2 ILE A 39 1.384 -8.862 1.980 1.00 0.00 C ATOM 633 CD1 ILE A 39 2.344 -6.346 1.265 1.00 0.00 C ATOM 0 H ILE A 39 -2.383 -8.697 0.347 1.00 0.00 H new ATOM 0 HA ILE A 39 0.268 -8.966 -0.884 1.00 0.00 H new ATOM 0 HB ILE A 39 -0.218 -7.466 1.651 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.987 -7.591 -0.469 1.00 0.00 H new ATOM 0 HG13 ILE A 39 0.804 -6.315 -0.255 1.00 0.00 H new ATOM 0 HG21 ILE A 39 1.923 -8.209 2.667 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.755 -9.547 2.548 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.098 -9.433 1.386 1.00 0.00 H new ATOM 0 HD11 ILE A 39 2.991 -5.655 0.724 1.00 0.00 H new ATOM 0 HD12 ILE A 39 1.754 -5.793 1.996 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.955 -7.088 1.779 1.00 0.00 H new ATOM 645 N ASP A 40 0.606 -11.088 0.569 1.00 0.00 N ATOM 646 CA ASP A 40 0.559 -12.472 1.115 1.00 0.00 C ATOM 647 C ASP A 40 1.583 -12.570 2.249 1.00 0.00 C ATOM 648 O ASP A 40 1.413 -13.309 3.199 1.00 0.00 O ATOM 649 CB ASP A 40 0.915 -13.473 0.014 1.00 0.00 C ATOM 650 CG ASP A 40 -0.362 -13.936 -0.689 1.00 0.00 C ATOM 651 OD1 ASP A 40 -1.142 -13.083 -1.080 1.00 0.00 O ATOM 652 OD2 ASP A 40 -0.539 -15.136 -0.824 1.00 0.00 O ATOM 0 H ASP A 40 1.503 -10.817 0.167 1.00 0.00 H new ATOM 0 HA ASP A 40 -0.441 -12.699 1.485 1.00 0.00 H new ATOM 0 HB2 ASP A 40 1.592 -13.012 -0.705 1.00 0.00 H new ATOM 0 HB3 ASP A 40 1.438 -14.329 0.441 1.00 0.00 H new ATOM 657 N VAL A 41 2.643 -11.812 2.152 1.00 0.00 N ATOM 658 CA VAL A 41 3.692 -11.824 3.211 1.00 0.00 C ATOM 659 C VAL A 41 4.323 -10.431 3.284 1.00 0.00 C ATOM 660 O VAL A 41 4.255 -9.664 2.344 1.00 0.00 O ATOM 661 CB VAL A 41 4.764 -12.855 2.857 1.00 0.00 C ATOM 662 CG1 VAL A 41 5.452 -12.449 1.553 1.00 0.00 C ATOM 663 CG2 VAL A 41 5.802 -12.918 3.980 1.00 0.00 C ATOM 0 H VAL A 41 2.828 -11.178 1.375 1.00 0.00 H new ATOM 0 HA VAL A 41 3.251 -12.086 4.173 1.00 0.00 H new ATOM 0 HB VAL A 41 4.299 -13.833 2.734 1.00 0.00 H new ATOM 0 HG11 VAL A 41 6.216 -13.184 1.301 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.715 -12.403 0.752 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.916 -11.471 1.676 1.00 0.00 H new ATOM 0 HG21 VAL A 41 6.566 -13.653 3.728 1.00 0.00 H new ATOM 0 HG22 VAL A 41 6.266 -11.939 4.102 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.314 -13.207 4.911 1.00 0.00 H new ATOM 673 N CYS A 42 4.932 -10.090 4.386 1.00 0.00 N ATOM 674 CA CYS A 42 5.553 -8.739 4.495 1.00 0.00 C ATOM 675 C CYS A 42 7.077 -8.871 4.585 1.00 0.00 C ATOM 676 O CYS A 42 7.617 -9.096 5.650 1.00 0.00 O ATOM 677 CB CYS A 42 5.028 -8.036 5.749 1.00 0.00 C ATOM 678 SG CYS A 42 5.862 -6.442 5.940 1.00 0.00 S ATOM 0 H CYS A 42 5.027 -10.683 5.210 1.00 0.00 H new ATOM 0 HA CYS A 42 5.295 -8.154 3.612 1.00 0.00 H new ATOM 0 HB2 CYS A 42 3.951 -7.888 5.672 1.00 0.00 H new ATOM 0 HB3 CYS A 42 5.202 -8.657 6.627 1.00 0.00 H new ATOM 683 N PRO A 43 7.728 -8.720 3.456 1.00 0.00 N ATOM 684 CA PRO A 43 9.196 -8.808 3.369 1.00 0.00 C ATOM 685 C PRO A 43 9.836 -7.509 3.872 1.00 0.00 C ATOM 686 O PRO A 43 9.237 -6.760 4.618 1.00 0.00 O ATOM 687 CB PRO A 43 9.454 -9.004 1.871 1.00 0.00 C ATOM 688 CG PRO A 43 8.207 -8.454 1.139 1.00 0.00 C ATOM 689 CD PRO A 43 7.060 -8.451 2.166 1.00 0.00 C ATOM 0 HA PRO A 43 9.618 -9.609 3.976 1.00 0.00 H new ATOM 0 HB2 PRO A 43 10.353 -8.473 1.559 1.00 0.00 H new ATOM 0 HB3 PRO A 43 9.608 -10.058 1.638 1.00 0.00 H new ATOM 0 HG2 PRO A 43 8.392 -7.448 0.761 1.00 0.00 H new ATOM 0 HG3 PRO A 43 7.956 -9.076 0.280 1.00 0.00 H new ATOM 0 HD2 PRO A 43 6.540 -7.493 2.179 1.00 0.00 H new ATOM 0 HD3 PRO A 43 6.317 -9.214 1.935 1.00 0.00 H new ATOM 697 N LYS A 44 11.048 -7.236 3.470 1.00 0.00 N ATOM 698 CA LYS A 44 11.722 -5.986 3.927 1.00 0.00 C ATOM 699 C LYS A 44 11.426 -4.854 2.942 1.00 0.00 C ATOM 700 O LYS A 44 10.459 -4.894 2.207 1.00 0.00 O ATOM 701 CB LYS A 44 13.232 -6.221 3.996 1.00 0.00 C ATOM 702 CG LYS A 44 13.507 -7.594 4.612 1.00 0.00 C ATOM 703 CD LYS A 44 14.403 -7.431 5.841 1.00 0.00 C ATOM 704 CE LYS A 44 14.572 -8.785 6.534 1.00 0.00 C ATOM 705 NZ LYS A 44 15.518 -8.643 7.677 1.00 0.00 N ATOM 0 H LYS A 44 11.600 -7.824 2.846 1.00 0.00 H new ATOM 0 HA LYS A 44 11.349 -5.712 4.914 1.00 0.00 H new ATOM 0 HB2 LYS A 44 13.665 -6.165 2.997 1.00 0.00 H new ATOM 0 HB3 LYS A 44 13.705 -5.441 4.593 1.00 0.00 H new ATOM 0 HG2 LYS A 44 12.569 -8.073 4.893 1.00 0.00 H new ATOM 0 HG3 LYS A 44 13.989 -8.243 3.881 1.00 0.00 H new ATOM 0 HD2 LYS A 44 15.376 -7.038 5.545 1.00 0.00 H new ATOM 0 HD3 LYS A 44 13.964 -6.710 6.531 1.00 0.00 H new ATOM 0 HE2 LYS A 44 13.607 -9.147 6.889 1.00 0.00 H new ATOM 0 HE3 LYS A 44 14.948 -9.524 5.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 15.633 -9.563 8.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 16.441 -8.316 7.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 15.141 -7.951 8.356 1.00 0.00 H new ATOM 719 N ASN A 45 12.250 -3.840 2.922 1.00 0.00 N ATOM 720 CA ASN A 45 12.013 -2.705 1.984 1.00 0.00 C ATOM 721 C ASN A 45 13.320 -2.342 1.276 1.00 0.00 C ATOM 722 O ASN A 45 14.387 -2.395 1.855 1.00 0.00 O ATOM 723 CB ASN A 45 11.506 -1.492 2.768 1.00 0.00 C ATOM 724 CG ASN A 45 12.318 -1.340 4.057 1.00 0.00 C ATOM 725 OD1 ASN A 45 11.946 -1.864 5.088 1.00 0.00 O ATOM 726 ND2 ASN A 45 13.420 -0.640 4.041 1.00 0.00 N ATOM 0 H ASN A 45 13.076 -3.749 3.514 1.00 0.00 H new ATOM 0 HA ASN A 45 11.269 -2.998 1.244 1.00 0.00 H new ATOM 0 HB2 ASN A 45 11.595 -0.591 2.161 1.00 0.00 H new ATOM 0 HB3 ASN A 45 10.449 -1.614 3.004 1.00 0.00 H new ATOM 0 HD21 ASN A 45 13.969 -0.533 4.894 1.00 0.00 H new ATOM 0 HD22 ASN A 45 13.732 -0.200 3.175 1.00 0.00 H new ATOM 733 N SER A 46 13.244 -1.970 0.027 1.00 0.00 N ATOM 734 CA SER A 46 14.482 -1.599 -0.717 1.00 0.00 C ATOM 735 C SER A 46 14.541 -0.079 -0.877 1.00 0.00 C ATOM 736 O SER A 46 13.669 0.637 -0.425 1.00 0.00 O ATOM 737 CB SER A 46 14.466 -2.258 -2.096 1.00 0.00 C ATOM 738 OG SER A 46 13.338 -1.796 -2.826 1.00 0.00 O ATOM 0 H SER A 46 12.379 -1.907 -0.510 1.00 0.00 H new ATOM 0 HA SER A 46 15.356 -1.941 -0.163 1.00 0.00 H new ATOM 0 HB2 SER A 46 15.384 -2.022 -2.635 1.00 0.00 H new ATOM 0 HB3 SER A 46 14.427 -3.342 -1.993 1.00 0.00 H new ATOM 0 HG SER A 46 13.327 -2.216 -3.711 1.00 0.00 H new ATOM 744 N ALA A 47 15.563 0.422 -1.516 1.00 0.00 N ATOM 745 CA ALA A 47 15.674 1.897 -1.700 1.00 0.00 C ATOM 746 C ALA A 47 15.108 2.288 -3.066 1.00 0.00 C ATOM 747 O ALA A 47 15.492 3.283 -3.647 1.00 0.00 O ATOM 748 CB ALA A 47 17.144 2.312 -1.621 1.00 0.00 C ATOM 0 H ALA A 47 16.324 -0.125 -1.918 1.00 0.00 H new ATOM 0 HA ALA A 47 15.110 2.402 -0.916 1.00 0.00 H new ATOM 0 HB1 ALA A 47 17.225 3.391 -1.756 1.00 0.00 H new ATOM 0 HB2 ALA A 47 17.548 2.036 -0.647 1.00 0.00 H new ATOM 0 HB3 ALA A 47 17.708 1.805 -2.404 1.00 0.00 H new ATOM 754 N LEU A 48 14.194 1.513 -3.585 1.00 0.00 N ATOM 755 CA LEU A 48 13.606 1.842 -4.913 1.00 0.00 C ATOM 756 C LEU A 48 12.087 1.979 -4.781 1.00 0.00 C ATOM 757 O LEU A 48 11.420 2.479 -5.666 1.00 0.00 O ATOM 758 CB LEU A 48 13.933 0.723 -5.904 1.00 0.00 C ATOM 759 CG LEU A 48 15.379 0.271 -5.701 1.00 0.00 C ATOM 760 CD1 LEU A 48 15.635 -1.005 -6.506 1.00 0.00 C ATOM 761 CD2 LEU A 48 16.327 1.374 -6.179 1.00 0.00 C ATOM 0 H LEU A 48 13.830 0.667 -3.146 1.00 0.00 H new ATOM 0 HA LEU A 48 14.024 2.782 -5.273 1.00 0.00 H new ATOM 0 HB2 LEU A 48 13.254 -0.117 -5.758 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.790 1.074 -6.926 1.00 0.00 H new ATOM 0 HG LEU A 48 15.553 0.072 -4.643 1.00 0.00 H new ATOM 0 HD11 LEU A 48 16.666 -1.326 -6.360 1.00 0.00 H new ATOM 0 HD12 LEU A 48 14.959 -1.790 -6.168 1.00 0.00 H new ATOM 0 HD13 LEU A 48 15.462 -0.808 -7.564 1.00 0.00 H new ATOM 0 HD21 LEU A 48 17.359 1.054 -6.035 1.00 0.00 H new ATOM 0 HD22 LEU A 48 16.152 1.571 -7.237 1.00 0.00 H new ATOM 0 HD23 LEU A 48 16.146 2.283 -5.606 1.00 0.00 H new ATOM 773 N VAL A 49 11.534 1.537 -3.685 1.00 0.00 N ATOM 774 CA VAL A 49 10.059 1.642 -3.501 1.00 0.00 C ATOM 775 C VAL A 49 9.729 1.530 -2.010 1.00 0.00 C ATOM 776 O VAL A 49 10.273 0.704 -1.304 1.00 0.00 O ATOM 777 CB VAL A 49 9.371 0.511 -4.281 1.00 0.00 C ATOM 778 CG1 VAL A 49 10.241 -0.745 -4.230 1.00 0.00 C ATOM 779 CG2 VAL A 49 7.998 0.201 -3.673 1.00 0.00 C ATOM 0 H VAL A 49 12.039 1.108 -2.910 1.00 0.00 H new ATOM 0 HA VAL A 49 9.703 2.602 -3.875 1.00 0.00 H new ATOM 0 HB VAL A 49 9.237 0.828 -5.315 1.00 0.00 H new ATOM 0 HG11 VAL A 49 9.754 -1.548 -4.783 1.00 0.00 H new ATOM 0 HG12 VAL A 49 11.212 -0.533 -4.678 1.00 0.00 H new ATOM 0 HG13 VAL A 49 10.379 -1.050 -3.193 1.00 0.00 H new ATOM 0 HG21 VAL A 49 7.523 -0.602 -4.237 1.00 0.00 H new ATOM 0 HG22 VAL A 49 8.121 -0.108 -2.635 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.372 1.092 -3.715 1.00 0.00 H new ATOM 789 N LYS A 50 8.836 2.349 -1.528 1.00 0.00 N ATOM 790 CA LYS A 50 8.471 2.277 -0.087 1.00 0.00 C ATOM 791 C LYS A 50 7.420 1.185 0.110 1.00 0.00 C ATOM 792 O LYS A 50 6.278 1.328 -0.275 1.00 0.00 O ATOM 793 CB LYS A 50 7.900 3.618 0.371 1.00 0.00 C ATOM 794 CG LYS A 50 8.510 3.996 1.723 1.00 0.00 C ATOM 795 CD LYS A 50 9.495 5.152 1.535 1.00 0.00 C ATOM 796 CE LYS A 50 10.462 5.194 2.719 1.00 0.00 C ATOM 797 NZ LYS A 50 9.808 5.875 3.871 1.00 0.00 N ATOM 0 H LYS A 50 8.345 3.062 -2.068 1.00 0.00 H new ATOM 0 HA LYS A 50 9.360 2.047 0.501 1.00 0.00 H new ATOM 0 HB2 LYS A 50 8.118 4.390 -0.367 1.00 0.00 H new ATOM 0 HB3 LYS A 50 6.815 3.554 0.454 1.00 0.00 H new ATOM 0 HG2 LYS A 50 7.724 4.284 2.421 1.00 0.00 H new ATOM 0 HG3 LYS A 50 9.021 3.136 2.156 1.00 0.00 H new ATOM 0 HD2 LYS A 50 10.048 5.025 0.604 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.955 6.096 1.459 1.00 0.00 H new ATOM 0 HE2 LYS A 50 10.754 4.182 2.999 1.00 0.00 H new ATOM 0 HE3 LYS A 50 11.373 5.723 2.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 10.466 5.904 4.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.550 6.845 3.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.951 5.352 4.142 1.00 0.00 H new ATOM 811 N TYR A 51 7.805 0.094 0.704 1.00 0.00 N ATOM 812 CA TYR A 51 6.842 -1.019 0.929 1.00 0.00 C ATOM 813 C TYR A 51 6.281 -0.922 2.347 1.00 0.00 C ATOM 814 O TYR A 51 6.907 -1.353 3.296 1.00 0.00 O ATOM 815 CB TYR A 51 7.572 -2.357 0.777 1.00 0.00 C ATOM 816 CG TYR A 51 6.939 -3.176 -0.325 1.00 0.00 C ATOM 817 CD1 TYR A 51 7.229 -2.891 -1.663 1.00 0.00 C ATOM 818 CD2 TYR A 51 6.070 -4.228 -0.005 1.00 0.00 C ATOM 819 CE1 TYR A 51 6.654 -3.656 -2.685 1.00 0.00 C ATOM 820 CE2 TYR A 51 5.494 -4.992 -1.027 1.00 0.00 C ATOM 821 CZ TYR A 51 5.786 -4.708 -2.366 1.00 0.00 C ATOM 822 OH TYR A 51 5.218 -5.463 -3.372 1.00 0.00 O ATOM 0 H TYR A 51 8.751 -0.077 1.046 1.00 0.00 H new ATOM 0 HA TYR A 51 6.032 -0.952 0.203 1.00 0.00 H new ATOM 0 HB2 TYR A 51 8.624 -2.182 0.551 1.00 0.00 H new ATOM 0 HB3 TYR A 51 7.535 -2.908 1.717 1.00 0.00 H new ATOM 0 HD1 TYR A 51 7.898 -2.079 -1.908 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.845 -4.449 1.028 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.879 -3.435 -3.718 1.00 0.00 H new ATOM 0 HE2 TYR A 51 4.823 -5.802 -0.782 1.00 0.00 H new ATOM 0 HH TYR A 51 4.410 -5.016 -3.700 1.00 0.00 H new ATOM 832 N VAL A 52 5.109 -0.370 2.514 1.00 0.00 N ATOM 833 CA VAL A 52 4.542 -0.275 3.891 1.00 0.00 C ATOM 834 C VAL A 52 3.446 -1.332 4.058 1.00 0.00 C ATOM 835 O VAL A 52 2.294 -1.103 3.750 1.00 0.00 O ATOM 836 CB VAL A 52 3.976 1.128 4.135 1.00 0.00 C ATOM 837 CG1 VAL A 52 5.096 2.159 3.988 1.00 0.00 C ATOM 838 CG2 VAL A 52 2.876 1.433 3.118 1.00 0.00 C ATOM 0 H VAL A 52 4.527 0.014 1.769 1.00 0.00 H new ATOM 0 HA VAL A 52 5.330 -0.456 4.622 1.00 0.00 H new ATOM 0 HB VAL A 52 3.558 1.174 5.141 1.00 0.00 H new ATOM 0 HG11 VAL A 52 4.696 3.158 4.161 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.880 1.951 4.716 1.00 0.00 H new ATOM 0 HG13 VAL A 52 5.511 2.104 2.982 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.480 2.432 3.299 1.00 0.00 H new ATOM 0 HG22 VAL A 52 3.288 1.383 2.110 1.00 0.00 H new ATOM 0 HG23 VAL A 52 2.075 0.701 3.218 1.00 0.00 H new ATOM 848 N CYS A 53 3.811 -2.496 4.534 1.00 0.00 N ATOM 849 CA CYS A 53 2.809 -3.588 4.715 1.00 0.00 C ATOM 850 C CYS A 53 2.051 -3.399 6.028 1.00 0.00 C ATOM 851 O CYS A 53 2.553 -2.818 6.970 1.00 0.00 O ATOM 852 CB CYS A 53 3.529 -4.939 4.741 1.00 0.00 C ATOM 853 SG CYS A 53 4.366 -5.144 6.334 1.00 0.00 S ATOM 0 H CYS A 53 4.764 -2.737 4.806 1.00 0.00 H new ATOM 0 HA CYS A 53 2.101 -3.558 3.887 1.00 0.00 H new ATOM 0 HB2 CYS A 53 2.814 -5.747 4.587 1.00 0.00 H new ATOM 0 HB3 CYS A 53 4.253 -4.994 3.928 1.00 0.00 H new ATOM 858 N CYS A 54 0.847 -3.898 6.097 1.00 0.00 N ATOM 859 CA CYS A 54 0.053 -3.762 7.352 1.00 0.00 C ATOM 860 C CYS A 54 -1.067 -4.789 7.353 1.00 0.00 C ATOM 861 O CYS A 54 -1.516 -5.233 6.315 1.00 0.00 O ATOM 862 CB CYS A 54 -0.578 -2.374 7.435 1.00 0.00 C ATOM 863 SG CYS A 54 -1.736 -2.161 6.060 1.00 0.00 S ATOM 0 H CYS A 54 0.379 -4.394 5.339 1.00 0.00 H new ATOM 0 HA CYS A 54 0.720 -3.915 8.201 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -1.098 -2.254 8.385 1.00 0.00 H new ATOM 0 HB3 CYS A 54 0.196 -1.607 7.396 1.00 0.00 H new ATOM 868 N ASN A 55 -1.544 -5.139 8.512 1.00 0.00 N ATOM 869 CA ASN A 55 -2.663 -6.108 8.596 1.00 0.00 C ATOM 870 C ASN A 55 -3.794 -5.461 9.401 1.00 0.00 C ATOM 871 O ASN A 55 -4.661 -6.128 9.924 1.00 0.00 O ATOM 872 CB ASN A 55 -2.180 -7.407 9.268 1.00 0.00 C ATOM 873 CG ASN A 55 -2.339 -7.323 10.789 1.00 0.00 C ATOM 874 OD1 ASN A 55 -1.670 -6.547 11.441 1.00 0.00 O ATOM 875 ND2 ASN A 55 -3.206 -8.097 11.381 1.00 0.00 N ATOM 0 H ASN A 55 -1.203 -4.792 9.409 1.00 0.00 H new ATOM 0 HA ASN A 55 -3.026 -6.364 7.600 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -2.749 -8.254 8.884 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -1.135 -7.585 9.016 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -3.323 -8.051 12.393 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.767 -8.748 10.832 1.00 0.00 H new ATOM 882 N THR A 56 -3.782 -4.157 9.505 1.00 0.00 N ATOM 883 CA THR A 56 -4.850 -3.461 10.281 1.00 0.00 C ATOM 884 C THR A 56 -6.130 -3.382 9.439 1.00 0.00 C ATOM 885 O THR A 56 -6.271 -4.069 8.449 1.00 0.00 O ATOM 886 CB THR A 56 -4.386 -2.045 10.629 1.00 0.00 C ATOM 887 OG1 THR A 56 -4.510 -1.213 9.484 1.00 0.00 O ATOM 888 CG2 THR A 56 -2.924 -2.080 11.081 1.00 0.00 C ATOM 0 H THR A 56 -3.080 -3.546 9.087 1.00 0.00 H new ATOM 0 HA THR A 56 -5.051 -4.017 11.197 1.00 0.00 H new ATOM 0 HB THR A 56 -5.003 -1.649 11.435 1.00 0.00 H new ATOM 0 HG1 THR A 56 -4.226 -1.708 8.688 1.00 0.00 H new ATOM 0 HG21 THR A 56 -2.595 -1.071 11.328 1.00 0.00 H new ATOM 0 HG22 THR A 56 -2.830 -2.718 11.960 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.304 -2.477 10.277 1.00 0.00 H new ATOM 896 N ASP A 57 -7.067 -2.560 9.834 1.00 0.00 N ATOM 897 CA ASP A 57 -8.343 -2.445 9.064 1.00 0.00 C ATOM 898 C ASP A 57 -8.056 -1.969 7.638 1.00 0.00 C ATOM 899 O ASP A 57 -8.838 -2.189 6.735 1.00 0.00 O ATOM 900 CB ASP A 57 -9.268 -1.444 9.759 1.00 0.00 C ATOM 901 CG ASP A 57 -9.684 -1.995 11.124 1.00 0.00 C ATOM 902 OD1 ASP A 57 -8.877 -2.675 11.737 1.00 0.00 O ATOM 903 OD2 ASP A 57 -10.802 -1.729 11.533 1.00 0.00 O ATOM 0 H ASP A 57 -7.004 -1.962 10.658 1.00 0.00 H new ATOM 0 HA ASP A 57 -8.823 -3.423 9.023 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -8.760 -0.487 9.881 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -10.150 -1.261 9.145 1.00 0.00 H new ATOM 908 N ARG A 58 -6.939 -1.332 7.422 1.00 0.00 N ATOM 909 CA ARG A 58 -6.610 -0.862 6.051 1.00 0.00 C ATOM 910 C ARG A 58 -5.835 -1.959 5.328 1.00 0.00 C ATOM 911 O ARG A 58 -5.113 -1.710 4.384 1.00 0.00 O ATOM 912 CB ARG A 58 -5.752 0.403 6.128 1.00 0.00 C ATOM 913 CG ARG A 58 -6.403 1.412 7.076 1.00 0.00 C ATOM 914 CD ARG A 58 -5.753 2.783 6.884 1.00 0.00 C ATOM 915 NE ARG A 58 -4.906 3.103 8.068 1.00 0.00 N ATOM 916 CZ ARG A 58 -5.146 4.177 8.770 1.00 0.00 C ATOM 917 NH1 ARG A 58 -4.636 5.322 8.407 1.00 0.00 N ATOM 918 NH2 ARG A 58 -5.893 4.104 9.838 1.00 0.00 N ATOM 0 H ARG A 58 -6.242 -1.118 8.135 1.00 0.00 H new ATOM 0 HA ARG A 58 -7.529 -0.636 5.510 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.751 0.154 6.479 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.642 0.840 5.136 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -7.473 1.474 6.879 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -6.287 1.084 8.109 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -5.146 2.786 5.978 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -6.521 3.546 6.756 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.139 2.483 8.330 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -4.050 5.378 7.574 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -4.824 6.161 8.956 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -6.289 3.208 10.123 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -6.081 4.943 10.387 1.00 0.00 H new ATOM 932 N CYS A 59 -5.979 -3.175 5.774 1.00 0.00 N ATOM 933 CA CYS A 59 -5.255 -4.303 5.129 1.00 0.00 C ATOM 934 C CYS A 59 -5.937 -5.627 5.488 1.00 0.00 C ATOM 935 O CYS A 59 -6.739 -6.145 4.736 1.00 0.00 O ATOM 936 CB CYS A 59 -3.792 -4.346 5.602 1.00 0.00 C ATOM 937 SG CYS A 59 -3.456 -2.975 6.740 1.00 0.00 S ATOM 0 H CYS A 59 -6.571 -3.437 6.562 1.00 0.00 H new ATOM 0 HA CYS A 59 -5.276 -4.155 4.049 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -3.591 -5.296 6.097 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -3.123 -4.287 4.743 1.00 0.00 H new ATOM 942 N ASN A 60 -5.620 -6.185 6.627 1.00 0.00 N ATOM 943 CA ASN A 60 -6.247 -7.479 7.021 1.00 0.00 C ATOM 944 C ASN A 60 -7.272 -7.234 8.137 1.00 0.00 C ATOM 945 O ASN A 60 -7.273 -6.146 8.687 1.00 0.00 O ATOM 946 CB ASN A 60 -5.137 -8.457 7.476 1.00 0.00 C ATOM 947 CG ASN A 60 -5.388 -8.992 8.894 1.00 0.00 C ATOM 948 OD1 ASN A 60 -5.618 -8.233 9.815 1.00 0.00 O ATOM 949 ND2 ASN A 60 -5.355 -10.278 9.106 1.00 0.00 N ATOM 950 OXT ASN A 60 -8.038 -8.141 8.420 1.00 0.00 O ATOM 0 H ASN A 60 -4.956 -5.801 7.299 1.00 0.00 H new ATOM 0 HA ASN A 60 -6.773 -7.921 6.175 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.081 -9.292 6.778 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.172 -7.951 7.445 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.522 -10.645 10.043 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -5.162 -10.917 8.335 1.00 0.00 H new