USER MOD reduce.3.24.130724 H: found=0, std=0, add=442, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 367 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 40 SER OG : rot -111:sc= 1.59 USER MOD Set 1.2: A 47 CYS SG : rot 180:sc= 0 USER MOD Set 1.3: A 50 LYS NZ :NH3+ 177:sc= 0.00504 (180deg=0.00483) USER MOD Set 2.1: A 8 GLN : amide:sc= -3.33! C(o=-7.1!,f=-8.4!) USER MOD Set 2.2: A 11 GLN : amide:sc= -3.77! C(o=-7.1!,f=-12!) USER MOD Single : A 1 ARG N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0546) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= -0.905 X(o=-0.91,f=-0.55) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc=-0.00892 X(o=-0.0089,f=-0.021) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.518 K(o=-0.52,f=-2.4!) USER MOD Single : A 44 HIS :FLIP no HD1:sc= -0.298 F(o=-1.2,f=-0.3) USER MOD Single : A 46 ASN : amide:sc= -10.3! C(o=-10!,f=-13!) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -20.219 13.003 10.983 1.00 0.00 N ATOM 2 CA ARG A 1 -20.876 11.752 10.646 1.00 0.00 C ATOM 3 C ARG A 1 -22.363 11.989 10.373 1.00 0.00 C ATOM 4 O ARG A 1 -23.212 11.611 11.177 1.00 0.00 O ATOM 5 CB ARG A 1 -20.729 10.730 11.775 1.00 0.00 C ATOM 6 CG ARG A 1 -20.944 9.307 11.258 1.00 0.00 C ATOM 7 CD ARG A 1 -22.274 8.737 11.759 1.00 0.00 C ATOM 8 NE ARG A 1 -22.180 8.427 13.202 1.00 0.00 N ATOM 9 CZ ARG A 1 -22.643 9.224 14.173 1.00 0.00 C ATOM 10 NH1 ARG A 1 -23.236 10.385 13.862 1.00 0.00 N ATOM 11 NH2 ARG A 1 -22.514 8.861 15.457 1.00 0.00 N ATOM 0 H1 ARG A 1 -19.210 12.827 11.166 1.00 0.00 H new ATOM 0 H2 ARG A 1 -20.316 13.670 10.191 1.00 0.00 H new ATOM 0 H3 ARG A 1 -20.659 13.408 11.834 1.00 0.00 H new ATOM 0 HA ARG A 1 -20.397 11.358 9.750 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -19.737 10.813 12.219 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -21.450 10.947 12.563 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -20.931 9.306 10.168 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -20.124 8.669 11.587 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -23.076 9.455 11.584 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -22.526 7.835 11.201 1.00 0.00 H new ATOM 0 HE ARG A 1 -21.734 7.551 13.475 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -23.335 10.662 12.885 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -23.589 10.992 14.602 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -22.063 7.977 15.694 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -22.867 9.468 16.197 1.00 0.00 H new ATOM 22 N ILE A 2 -22.630 12.614 9.236 1.00 0.00 N ATOM 23 CA ILE A 2 -23.999 12.907 8.847 1.00 0.00 C ATOM 24 C ILE A 2 -24.790 11.600 8.756 1.00 0.00 C ATOM 25 O ILE A 2 -24.255 10.527 9.031 1.00 0.00 O ATOM 26 CB ILE A 2 -24.026 13.732 7.559 1.00 0.00 C ATOM 27 CG1 ILE A 2 -23.397 12.958 6.398 1.00 0.00 C ATOM 28 CG2 ILE A 2 -23.361 15.094 7.767 1.00 0.00 C ATOM 29 CD1 ILE A 2 -24.374 11.923 5.837 1.00 0.00 C ATOM 0 H ILE A 2 -21.922 12.926 8.572 1.00 0.00 H new ATOM 0 HA ILE A 2 -24.485 13.523 9.603 1.00 0.00 H new ATOM 0 HB ILE A 2 -25.067 13.919 7.295 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -23.104 13.652 5.610 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -22.489 12.460 6.738 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -23.393 15.661 6.836 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -23.892 15.643 8.545 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -22.323 14.950 8.068 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -23.903 11.387 5.013 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -24.646 11.217 6.621 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -25.270 12.427 5.476 1.00 0.00 H new ATOM 40 N TYR A 3 -26.049 11.732 8.369 1.00 0.00 N ATOM 41 CA TYR A 3 -26.918 10.576 8.238 1.00 0.00 C ATOM 42 C TYR A 3 -27.947 10.785 7.125 1.00 0.00 C ATOM 43 O TYR A 3 -28.187 9.888 6.320 1.00 0.00 O ATOM 44 CB TYR A 3 -27.650 10.445 9.575 1.00 0.00 C ATOM 45 CG TYR A 3 -28.962 9.663 9.492 1.00 0.00 C ATOM 46 CD1 TYR A 3 -28.973 8.385 8.971 1.00 0.00 C ATOM 47 CD2 TYR A 3 -30.137 10.236 9.938 1.00 0.00 C ATOM 48 CE1 TYR A 3 -30.208 7.649 8.893 1.00 0.00 C ATOM 49 CE2 TYR A 3 -31.372 9.500 9.859 1.00 0.00 C ATOM 50 CZ TYR A 3 -31.346 8.243 9.341 1.00 0.00 C ATOM 51 OH TYR A 3 -32.513 7.548 9.268 1.00 0.00 O ATOM 0 H TYR A 3 -26.489 12.624 8.141 1.00 0.00 H new ATOM 0 HA TYR A 3 -26.338 9.687 7.990 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -26.991 9.954 10.292 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -27.857 11.442 9.963 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -28.055 7.937 8.622 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -30.129 11.236 10.346 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -30.230 6.648 8.488 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -32.298 9.936 10.203 1.00 0.00 H new ATOM 0 HH TYR A 3 -33.243 8.096 9.625 1.00 0.00 H new ATOM 60 N LYS A 4 -28.528 11.976 7.116 1.00 0.00 N ATOM 61 CA LYS A 4 -29.525 12.315 6.116 1.00 0.00 C ATOM 62 C LYS A 4 -28.871 13.145 5.010 1.00 0.00 C ATOM 63 O LYS A 4 -29.352 13.165 3.878 1.00 0.00 O ATOM 64 CB LYS A 4 -30.728 13.000 6.770 1.00 0.00 C ATOM 65 CG LYS A 4 -31.461 13.894 5.767 1.00 0.00 C ATOM 66 CD LYS A 4 -32.645 14.602 6.428 1.00 0.00 C ATOM 67 CE LYS A 4 -33.873 14.584 5.515 1.00 0.00 C ATOM 68 NZ LYS A 4 -34.102 15.923 4.927 1.00 0.00 N ATOM 0 H LYS A 4 -28.327 12.718 7.786 1.00 0.00 H new ATOM 0 HA LYS A 4 -29.917 11.412 5.647 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -31.413 12.247 7.160 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -30.394 13.597 7.619 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -30.771 14.634 5.361 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -31.814 13.293 4.929 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -32.883 14.115 7.374 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -32.374 15.632 6.659 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -33.732 13.851 4.721 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -34.751 14.275 6.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -34.939 15.893 4.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -34.258 16.614 5.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -33.271 16.204 4.369 1.00 0.00 H new ATOM 78 N GLY A 5 -27.785 13.808 5.377 1.00 0.00 N ATOM 79 CA GLY A 5 -27.059 14.637 4.429 1.00 0.00 C ATOM 80 C GLY A 5 -26.665 15.975 5.060 1.00 0.00 C ATOM 81 O GLY A 5 -25.547 16.450 4.867 1.00 0.00 O ATOM 0 H GLY A 5 -27.390 13.789 6.317 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -26.165 14.112 4.092 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -27.676 14.814 3.548 1.00 0.00 H new ATOM 85 N VAL A 6 -27.604 16.543 5.802 1.00 0.00 N ATOM 86 CA VAL A 6 -27.369 17.815 6.463 1.00 0.00 C ATOM 87 C VAL A 6 -27.333 18.929 5.415 1.00 0.00 C ATOM 88 O VAL A 6 -27.262 18.658 4.217 1.00 0.00 O ATOM 89 CB VAL A 6 -26.091 17.741 7.301 1.00 0.00 C ATOM 90 CG1 VAL A 6 -25.366 19.088 7.315 1.00 0.00 C ATOM 91 CG2 VAL A 6 -26.395 17.266 8.724 1.00 0.00 C ATOM 0 H VAL A 6 -28.530 16.145 5.960 1.00 0.00 H new ATOM 0 HA VAL A 6 -28.181 18.043 7.153 1.00 0.00 H new ATOM 0 HB VAL A 6 -25.429 17.009 6.838 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -24.461 19.008 7.918 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -25.100 19.368 6.296 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -26.020 19.849 7.742 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -25.470 17.222 9.298 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -27.085 17.962 9.200 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -26.847 16.275 8.688 1.00 0.00 H new ATOM 101 N ILE A 7 -27.385 20.160 5.905 1.00 0.00 N ATOM 102 CA ILE A 7 -27.359 21.317 5.026 1.00 0.00 C ATOM 103 C ILE A 7 -25.915 21.602 4.608 1.00 0.00 C ATOM 104 O ILE A 7 -25.637 21.812 3.428 1.00 0.00 O ATOM 105 CB ILE A 7 -28.055 22.508 5.688 1.00 0.00 C ATOM 106 CG1 ILE A 7 -27.351 22.900 6.988 1.00 0.00 C ATOM 107 CG2 ILE A 7 -29.543 22.222 5.904 1.00 0.00 C ATOM 108 CD1 ILE A 7 -27.974 24.163 7.588 1.00 0.00 C ATOM 0 H ILE A 7 -27.445 20.381 6.899 1.00 0.00 H new ATOM 0 HA ILE A 7 -27.921 21.116 4.114 1.00 0.00 H new ATOM 0 HB ILE A 7 -27.986 23.363 5.015 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -27.419 22.081 7.704 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -26.291 23.069 6.796 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -30.014 23.084 6.376 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -30.020 22.029 4.943 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -29.656 21.349 6.547 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -27.456 24.421 8.512 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -27.883 24.986 6.879 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -29.028 23.983 7.801 1.00 0.00 H new ATOM 119 N GLN A 8 -25.035 21.602 5.598 1.00 0.00 N ATOM 120 CA GLN A 8 -23.627 21.858 5.348 1.00 0.00 C ATOM 121 C GLN A 8 -23.126 20.987 4.195 1.00 0.00 C ATOM 122 O GLN A 8 -22.154 21.336 3.524 1.00 0.00 O ATOM 123 CB GLN A 8 -22.794 21.628 6.610 1.00 0.00 C ATOM 124 CG GLN A 8 -22.399 20.156 6.746 1.00 0.00 C ATOM 125 CD GLN A 8 -20.900 19.966 6.508 1.00 0.00 C ATOM 126 OE1 GLN A 8 -20.072 20.750 6.941 1.00 0.00 O ATOM 127 NE2 GLN A 8 -20.599 18.884 5.796 1.00 0.00 N ATOM 0 H GLN A 8 -25.270 21.429 6.575 1.00 0.00 H new ATOM 0 HA GLN A 8 -23.514 22.904 5.064 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -21.898 22.247 6.576 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -23.363 21.938 7.487 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -22.661 19.796 7.741 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -22.963 19.557 6.031 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -21.342 18.269 5.464 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -19.625 18.669 5.582 1.00 0.00 H new ATOM 134 N ALA A 9 -23.810 19.869 3.998 1.00 0.00 N ATOM 135 CA ALA A 9 -23.446 18.945 2.937 1.00 0.00 C ATOM 136 C ALA A 9 -23.485 19.677 1.594 1.00 0.00 C ATOM 137 O ALA A 9 -22.769 19.312 0.663 1.00 0.00 O ATOM 138 CB ALA A 9 -24.382 17.736 2.970 1.00 0.00 C ATOM 0 H ALA A 9 -24.615 19.582 4.556 1.00 0.00 H new ATOM 0 HA ALA A 9 -22.431 18.575 3.081 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -24.109 17.043 2.174 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -24.295 17.235 3.934 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -25.410 18.068 2.825 1.00 0.00 H new ATOM 144 N ILE A 10 -24.331 20.696 1.536 1.00 0.00 N ATOM 145 CA ILE A 10 -24.473 21.482 0.322 1.00 0.00 C ATOM 146 C ILE A 10 -23.203 22.306 0.101 1.00 0.00 C ATOM 147 O ILE A 10 -22.906 22.705 -1.024 1.00 0.00 O ATOM 148 CB ILE A 10 -25.751 22.322 0.374 1.00 0.00 C ATOM 149 CG1 ILE A 10 -26.994 21.430 0.388 1.00 0.00 C ATOM 150 CG2 ILE A 10 -25.787 23.338 -0.769 1.00 0.00 C ATOM 151 CD1 ILE A 10 -27.613 21.372 1.786 1.00 0.00 C ATOM 0 H ILE A 10 -24.925 20.995 2.310 1.00 0.00 H new ATOM 0 HA ILE A 10 -24.584 20.829 -0.544 1.00 0.00 H new ATOM 0 HB ILE A 10 -25.750 22.887 1.306 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -27.727 21.811 -0.323 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -26.728 20.424 0.063 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -26.706 23.922 -0.708 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -24.928 24.004 -0.691 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -25.753 22.813 -1.724 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -28.495 20.731 1.767 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -26.885 20.967 2.490 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -27.901 22.376 2.099 1.00 0.00 H new ATOM 162 N GLN A 11 -22.490 22.537 1.193 1.00 0.00 N ATOM 163 CA GLN A 11 -21.258 23.307 1.132 1.00 0.00 C ATOM 164 C GLN A 11 -20.379 22.812 -0.018 1.00 0.00 C ATOM 165 O GLN A 11 -19.530 23.551 -0.516 1.00 0.00 O ATOM 166 CB GLN A 11 -20.506 23.243 2.463 1.00 0.00 C ATOM 167 CG GLN A 11 -19.662 21.970 2.556 1.00 0.00 C ATOM 168 CD GLN A 11 -19.004 21.849 3.932 1.00 0.00 C ATOM 169 OE1 GLN A 11 -19.265 20.933 4.696 1.00 0.00 O ATOM 170 NE2 GLN A 11 -18.136 22.819 4.204 1.00 0.00 N ATOM 0 H GLN A 11 -22.741 22.205 2.124 1.00 0.00 H new ATOM 0 HA GLN A 11 -21.513 24.350 0.945 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -19.863 24.118 2.564 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -21.217 23.273 3.288 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -20.290 21.098 2.371 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -18.895 21.980 1.782 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -17.964 23.556 3.520 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -17.642 22.826 5.097 1.00 0.00 H new ATOM 177 N LYS A 12 -20.613 21.568 -0.407 1.00 0.00 N ATOM 178 CA LYS A 12 -19.852 20.966 -1.489 1.00 0.00 C ATOM 179 C LYS A 12 -19.790 21.942 -2.666 1.00 0.00 C ATOM 180 O LYS A 12 -18.810 21.962 -3.410 1.00 0.00 O ATOM 181 CB LYS A 12 -20.432 19.598 -1.855 1.00 0.00 C ATOM 182 CG LYS A 12 -21.930 19.698 -2.149 1.00 0.00 C ATOM 183 CD LYS A 12 -22.633 18.369 -1.868 1.00 0.00 C ATOM 184 CE LYS A 12 -23.005 17.658 -3.171 1.00 0.00 C ATOM 185 NZ LYS A 12 -24.140 18.343 -3.829 1.00 0.00 N ATOM 0 H LYS A 12 -21.319 20.960 0.008 1.00 0.00 H new ATOM 0 HA LYS A 12 -18.825 20.778 -1.175 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -19.913 19.200 -2.727 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -20.264 18.897 -1.037 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -22.373 20.484 -1.537 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -22.082 19.981 -3.191 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -21.982 17.728 -1.273 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -23.532 18.547 -1.277 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -22.145 17.640 -3.841 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -23.269 16.621 -2.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -24.533 17.729 -4.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -24.877 18.549 -3.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -23.809 19.233 -4.254 1.00 0.00 H new ATOM 195 N SER A 13 -20.848 22.729 -2.798 1.00 0.00 N ATOM 196 CA SER A 13 -20.925 23.705 -3.871 1.00 0.00 C ATOM 197 C SER A 13 -19.757 24.688 -3.770 1.00 0.00 C ATOM 198 O SER A 13 -19.239 25.148 -4.788 1.00 0.00 O ATOM 199 CB SER A 13 -22.256 24.458 -3.836 1.00 0.00 C ATOM 200 OG SER A 13 -22.760 24.713 -5.144 1.00 0.00 O ATOM 0 H SER A 13 -21.659 22.710 -2.179 1.00 0.00 H new ATOM 0 HA SER A 13 -20.863 23.174 -4.821 1.00 0.00 H new ATOM 0 HB2 SER A 13 -22.986 23.877 -3.273 1.00 0.00 H new ATOM 0 HB3 SER A 13 -22.124 25.402 -3.308 1.00 0.00 H new ATOM 0 HG SER A 13 -23.611 25.194 -5.079 1.00 0.00 H new ATOM 205 N ASP A 14 -19.375 24.979 -2.536 1.00 0.00 N ATOM 206 CA ASP A 14 -18.277 25.898 -2.290 1.00 0.00 C ATOM 207 C ASP A 14 -16.954 25.206 -2.624 1.00 0.00 C ATOM 208 O ASP A 14 -15.990 25.861 -3.021 1.00 0.00 O ATOM 209 CB ASP A 14 -18.231 26.320 -0.819 1.00 0.00 C ATOM 210 CG ASP A 14 -17.955 27.806 -0.582 1.00 0.00 C ATOM 211 OD1 ASP A 14 -18.589 28.622 -1.285 1.00 0.00 O ATOM 212 OD2 ASP A 14 -17.115 28.093 0.298 1.00 0.00 O ATOM 0 H ASP A 14 -19.806 24.595 -1.695 1.00 0.00 H new ATOM 0 HA ASP A 14 -18.428 26.779 -2.914 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -19.182 26.064 -0.353 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -17.461 25.737 -0.313 1.00 0.00 H new ATOM 216 N GLU A 15 -16.948 23.893 -2.450 1.00 0.00 N ATOM 217 CA GLU A 15 -15.760 23.106 -2.728 1.00 0.00 C ATOM 218 C GLU A 15 -15.583 22.927 -4.237 1.00 0.00 C ATOM 219 O GLU A 15 -14.604 22.332 -4.685 1.00 0.00 O ATOM 220 CB GLU A 15 -15.820 21.752 -2.019 1.00 0.00 C ATOM 221 CG GLU A 15 -15.100 21.809 -0.669 1.00 0.00 C ATOM 222 CD GLU A 15 -15.902 21.077 0.410 1.00 0.00 C ATOM 223 OE1 GLU A 15 -17.141 21.238 0.403 1.00 0.00 O ATOM 224 OE2 GLU A 15 -15.256 20.374 1.217 1.00 0.00 O ATOM 0 H GLU A 15 -17.748 23.354 -2.119 1.00 0.00 H new ATOM 0 HA GLU A 15 -14.894 23.643 -2.341 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -16.860 21.461 -1.869 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -15.363 20.988 -2.647 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -14.111 21.359 -0.761 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -14.952 22.848 -0.375 1.00 0.00 H new ATOM 229 N GLY A 16 -16.545 23.453 -4.980 1.00 0.00 N ATOM 230 CA GLY A 16 -16.509 23.358 -6.430 1.00 0.00 C ATOM 231 C GLY A 16 -16.091 24.690 -7.056 1.00 0.00 C ATOM 232 O GLY A 16 -16.860 25.301 -7.795 1.00 0.00 O ATOM 0 H GLY A 16 -17.355 23.947 -4.605 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -15.811 22.576 -6.730 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -17.491 23.069 -6.804 1.00 0.00 H new ATOM 236 N HIS A 17 -14.872 25.100 -6.737 1.00 0.00 N ATOM 237 CA HIS A 17 -14.342 26.349 -7.259 1.00 0.00 C ATOM 238 C HIS A 17 -12.910 26.547 -6.759 1.00 0.00 C ATOM 239 O HIS A 17 -11.980 26.654 -7.556 1.00 0.00 O ATOM 240 CB HIS A 17 -15.261 27.519 -6.905 1.00 0.00 C ATOM 241 CG HIS A 17 -15.995 28.103 -8.088 1.00 0.00 C ATOM 242 ND1 HIS A 17 -17.135 28.878 -7.955 1.00 0.00 N ATOM 243 CD2 HIS A 17 -15.742 28.019 -9.425 1.00 0.00 C ATOM 244 CE1 HIS A 17 -17.540 29.238 -9.165 1.00 0.00 C ATOM 245 NE2 HIS A 17 -16.675 28.703 -10.074 1.00 0.00 N ATOM 0 H HIS A 17 -14.236 24.590 -6.124 1.00 0.00 H new ATOM 0 HA HIS A 17 -14.307 26.307 -8.348 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -15.990 27.185 -6.167 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -14.668 28.304 -6.435 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -14.920 27.485 -9.879 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -18.403 29.847 -9.391 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -16.736 28.811 -11.086 1.00 0.00 H new ATOM 253 N PRO A 18 -12.774 26.591 -5.407 1.00 0.00 N ATOM 254 CA PRO A 18 -11.471 26.775 -4.791 1.00 0.00 C ATOM 255 C PRO A 18 -10.643 25.491 -4.867 1.00 0.00 C ATOM 256 O PRO A 18 -11.179 24.393 -4.723 1.00 0.00 O ATOM 257 CB PRO A 18 -11.767 27.207 -3.364 1.00 0.00 C ATOM 258 CG PRO A 18 -13.207 26.802 -3.097 1.00 0.00 C ATOM 259 CD PRO A 18 -13.853 26.468 -4.432 1.00 0.00 C ATOM 0 HA PRO A 18 -10.866 27.524 -5.302 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -11.089 26.724 -2.661 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -11.635 28.283 -3.246 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -13.244 25.941 -2.429 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -13.746 27.611 -2.604 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -14.271 25.461 -4.429 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -14.671 27.152 -4.658 1.00 0.00 H new ATOM 264 N PHE A 19 -9.349 25.671 -5.092 1.00 0.00 N ATOM 265 CA PHE A 19 -8.442 24.540 -5.189 1.00 0.00 C ATOM 266 C PHE A 19 -8.161 23.943 -3.809 1.00 0.00 C ATOM 267 O PHE A 19 -8.009 22.730 -3.672 1.00 0.00 O ATOM 268 CB PHE A 19 -7.133 25.067 -5.780 1.00 0.00 C ATOM 269 CG PHE A 19 -7.321 25.969 -7.001 1.00 0.00 C ATOM 270 CD1 PHE A 19 -7.934 25.488 -8.115 1.00 0.00 C ATOM 271 CD2 PHE A 19 -6.873 27.253 -6.972 1.00 0.00 C ATOM 272 CE1 PHE A 19 -8.108 26.327 -9.248 1.00 0.00 C ATOM 273 CE2 PHE A 19 -7.047 28.092 -8.104 1.00 0.00 C ATOM 274 CZ PHE A 19 -7.661 27.611 -9.219 1.00 0.00 C ATOM 0 H PHE A 19 -8.908 26.583 -5.210 1.00 0.00 H new ATOM 0 HA PHE A 19 -8.884 23.760 -5.809 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -6.596 25.622 -5.010 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -6.506 24.221 -6.059 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -8.289 24.468 -8.139 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -6.385 27.634 -6.087 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -8.595 25.945 -10.133 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -6.692 29.112 -8.080 1.00 0.00 H new ATOM 0 HZ PHE A 19 -7.793 28.249 -10.081 1.00 0.00 H new ATOM 283 N ARG A 20 -8.100 24.823 -2.820 1.00 0.00 N ATOM 284 CA ARG A 20 -7.840 24.398 -1.455 1.00 0.00 C ATOM 285 C ARG A 20 -8.959 23.479 -0.963 1.00 0.00 C ATOM 286 O ARG A 20 -8.720 22.581 -0.156 1.00 0.00 O ATOM 287 CB ARG A 20 -7.727 25.602 -0.516 1.00 0.00 C ATOM 288 CG ARG A 20 -6.273 26.057 -0.381 1.00 0.00 C ATOM 289 CD ARG A 20 -5.365 24.887 0.003 1.00 0.00 C ATOM 290 NE ARG A 20 -4.523 25.259 1.162 1.00 0.00 N ATOM 291 CZ ARG A 20 -3.420 26.015 1.077 1.00 0.00 C ATOM 292 NH1 ARG A 20 -3.019 26.484 -0.113 1.00 0.00 N ATOM 293 NH2 ARG A 20 -2.717 26.302 2.181 1.00 0.00 N ATOM 0 H ARG A 20 -8.226 25.828 -2.937 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.894 23.857 -1.450 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.335 26.423 -0.897 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -8.123 25.341 0.465 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.935 26.490 -1.322 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.202 26.840 0.374 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.968 24.013 0.247 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.734 24.613 -0.842 1.00 0.00 H new ATOM 0 HE ARG A 20 -4.800 24.919 2.083 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -3.554 26.265 -0.954 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -2.179 27.060 -0.178 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -3.021 25.945 3.087 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -1.877 26.878 2.116 1.00 0.00 H new ATOM 304 N ALA A 21 -10.157 23.734 -1.468 1.00 0.00 N ATOM 305 CA ALA A 21 -11.314 22.940 -1.090 1.00 0.00 C ATOM 306 C ALA A 21 -11.050 21.471 -1.426 1.00 0.00 C ATOM 307 O ALA A 21 -11.368 20.584 -0.635 1.00 0.00 O ATOM 308 CB ALA A 21 -12.559 23.485 -1.793 1.00 0.00 C ATOM 0 H ALA A 21 -10.352 24.480 -2.136 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.491 23.006 -0.017 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -13.427 22.890 -1.510 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -12.719 24.522 -1.498 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -12.420 23.432 -2.873 1.00 0.00 H new ATOM 314 N TYR A 22 -10.473 21.260 -2.599 1.00 0.00 N ATOM 315 CA TYR A 22 -10.163 19.913 -3.049 1.00 0.00 C ATOM 316 C TYR A 22 -9.121 19.258 -2.141 1.00 0.00 C ATOM 317 O TYR A 22 -9.173 18.053 -1.898 1.00 0.00 O ATOM 318 CB TYR A 22 -9.576 20.062 -4.453 1.00 0.00 C ATOM 319 CG TYR A 22 -10.595 19.867 -5.578 1.00 0.00 C ATOM 320 CD1 TYR A 22 -11.062 18.603 -5.874 1.00 0.00 C ATOM 321 CD2 TYR A 22 -11.048 20.956 -6.296 1.00 0.00 C ATOM 322 CE1 TYR A 22 -12.022 18.419 -6.932 1.00 0.00 C ATOM 323 CE2 TYR A 22 -12.007 20.772 -7.353 1.00 0.00 C ATOM 324 CZ TYR A 22 -12.447 19.512 -7.620 1.00 0.00 C ATOM 325 OH TYR A 22 -13.353 19.339 -8.619 1.00 0.00 O ATOM 0 H TYR A 22 -10.212 21.999 -3.252 1.00 0.00 H new ATOM 0 HA TYR A 22 -11.056 19.288 -3.033 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -9.132 21.053 -4.547 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -8.770 19.339 -4.577 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -10.708 17.751 -5.312 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -10.683 21.946 -6.064 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -12.396 17.435 -7.173 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -12.370 21.615 -7.922 1.00 0.00 H new ATOM 0 HH TYR A 22 -13.566 20.207 -9.022 1.00 0.00 H new ATOM 334 N LEU A 23 -8.199 20.079 -1.663 1.00 0.00 N ATOM 335 CA LEU A 23 -7.145 19.595 -0.787 1.00 0.00 C ATOM 336 C LEU A 23 -7.773 18.878 0.411 1.00 0.00 C ATOM 337 O LEU A 23 -7.361 17.775 0.764 1.00 0.00 O ATOM 338 CB LEU A 23 -6.207 20.738 -0.395 1.00 0.00 C ATOM 339 CG LEU A 23 -5.719 20.739 1.056 1.00 0.00 C ATOM 340 CD1 LEU A 23 -4.264 21.200 1.146 1.00 0.00 C ATOM 341 CD2 LEU A 23 -6.642 21.577 1.943 1.00 0.00 C ATOM 0 H LEU A 23 -8.159 21.078 -1.866 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.523 18.866 -1.307 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.336 20.708 -1.050 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.717 21.682 -0.586 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.755 19.715 1.429 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.943 21.191 2.188 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.633 20.527 0.566 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.177 22.211 0.748 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -6.273 21.562 2.969 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.661 22.605 1.580 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.650 21.163 1.913 1.00 0.00 H new ATOM 352 N GLU A 24 -8.762 19.534 1.000 1.00 0.00 N ATOM 353 CA GLU A 24 -9.451 18.972 2.149 1.00 0.00 C ATOM 354 C GLU A 24 -9.949 17.561 1.833 1.00 0.00 C ATOM 355 O GLU A 24 -10.097 16.734 2.732 1.00 0.00 O ATOM 356 CB GLU A 24 -10.605 19.874 2.591 1.00 0.00 C ATOM 357 CG GLU A 24 -10.685 19.955 4.118 1.00 0.00 C ATOM 358 CD GLU A 24 -10.551 21.401 4.597 1.00 0.00 C ATOM 359 OE1 GLU A 24 -9.404 21.899 4.587 1.00 0.00 O ATOM 360 OE2 GLU A 24 -11.598 21.977 4.965 1.00 0.00 O ATOM 0 H GLU A 24 -9.102 20.449 0.703 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.744 18.909 2.976 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.469 20.873 2.177 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.544 19.489 2.194 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -11.634 19.542 4.459 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.896 19.347 4.560 1.00 0.00 H new ATOM 365 N SER A 25 -10.194 17.328 0.552 1.00 0.00 N ATOM 366 CA SER A 25 -10.672 16.031 0.105 1.00 0.00 C ATOM 367 C SER A 25 -9.719 14.931 0.576 1.00 0.00 C ATOM 368 O SER A 25 -10.094 13.760 0.631 1.00 0.00 O ATOM 369 CB SER A 25 -10.818 15.992 -1.417 1.00 0.00 C ATOM 370 OG SER A 25 -11.710 14.966 -1.843 1.00 0.00 O ATOM 0 H SER A 25 -10.070 18.016 -0.191 1.00 0.00 H new ATOM 0 HA SER A 25 -11.656 15.861 0.541 1.00 0.00 H new ATOM 0 HB2 SER A 25 -11.180 16.957 -1.771 1.00 0.00 H new ATOM 0 HB3 SER A 25 -9.840 15.833 -1.871 1.00 0.00 H new ATOM 0 HG SER A 25 -11.777 14.976 -2.821 1.00 0.00 H new ATOM 375 N GLU A 26 -8.504 15.346 0.903 1.00 0.00 N ATOM 376 CA GLU A 26 -7.494 14.410 1.368 1.00 0.00 C ATOM 377 C GLU A 26 -7.983 13.677 2.619 1.00 0.00 C ATOM 378 O GLU A 26 -7.575 12.547 2.880 1.00 0.00 O ATOM 379 CB GLU A 26 -6.167 15.123 1.634 1.00 0.00 C ATOM 380 CG GLU A 26 -6.352 16.270 2.631 1.00 0.00 C ATOM 381 CD GLU A 26 -5.921 15.848 4.038 1.00 0.00 C ATOM 382 OE1 GLU A 26 -5.980 14.629 4.308 1.00 0.00 O ATOM 383 OE2 GLU A 26 -5.542 16.755 4.810 1.00 0.00 O ATOM 0 H GLU A 26 -8.196 16.317 0.855 1.00 0.00 H new ATOM 0 HA GLU A 26 -7.322 13.673 0.584 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.439 14.411 2.024 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.764 15.511 0.698 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.768 17.133 2.311 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.397 16.580 2.644 1.00 0.00 H new ATOM 388 N VAL A 27 -8.851 14.351 3.359 1.00 0.00 N ATOM 389 CA VAL A 27 -9.401 13.780 4.576 1.00 0.00 C ATOM 390 C VAL A 27 -10.426 12.704 4.211 1.00 0.00 C ATOM 391 O VAL A 27 -10.547 11.695 4.904 1.00 0.00 O ATOM 392 CB VAL A 27 -9.984 14.885 5.458 1.00 0.00 C ATOM 393 CG1 VAL A 27 -8.977 16.022 5.648 1.00 0.00 C ATOM 394 CG2 VAL A 27 -11.301 15.409 4.882 1.00 0.00 C ATOM 0 H VAL A 27 -9.187 15.288 3.139 1.00 0.00 H new ATOM 0 HA VAL A 27 -8.616 13.298 5.159 1.00 0.00 H new ATOM 0 HB VAL A 27 -10.195 14.456 6.438 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -9.416 16.795 6.279 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -8.076 15.634 6.123 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -8.721 16.447 4.678 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -11.694 16.194 5.528 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -11.127 15.814 3.885 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -12.022 14.594 4.822 1.00 0.00 H new ATOM 404 N ALA A 28 -11.138 12.955 3.122 1.00 0.00 N ATOM 405 CA ALA A 28 -12.148 12.021 2.655 1.00 0.00 C ATOM 406 C ALA A 28 -11.469 10.731 2.192 1.00 0.00 C ATOM 407 O ALA A 28 -12.020 9.643 2.353 1.00 0.00 O ATOM 408 CB ALA A 28 -12.976 12.675 1.548 1.00 0.00 C ATOM 0 H ALA A 28 -11.035 13.793 2.549 1.00 0.00 H new ATOM 0 HA ALA A 28 -12.832 11.761 3.462 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -13.734 11.974 1.198 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -13.462 13.570 1.937 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -12.324 12.948 0.719 1.00 0.00 H new ATOM 414 N ILE A 29 -10.283 10.895 1.626 1.00 0.00 N ATOM 415 CA ILE A 29 -9.522 9.756 1.138 1.00 0.00 C ATOM 416 C ILE A 29 -8.822 9.075 2.314 1.00 0.00 C ATOM 417 O ILE A 29 -8.687 7.853 2.338 1.00 0.00 O ATOM 418 CB ILE A 29 -8.570 10.187 0.020 1.00 0.00 C ATOM 419 CG1 ILE A 29 -7.256 10.719 0.594 1.00 0.00 C ATOM 420 CG2 ILE A 29 -9.241 11.200 -0.911 1.00 0.00 C ATOM 421 CD1 ILE A 29 -6.130 10.623 -0.436 1.00 0.00 C ATOM 0 H ILE A 29 -9.830 11.799 1.494 1.00 0.00 H new ATOM 0 HA ILE A 29 -10.187 9.017 0.691 1.00 0.00 H new ATOM 0 HB ILE A 29 -8.327 9.310 -0.580 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -7.384 11.756 0.903 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.988 10.151 1.485 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -8.543 11.490 -1.697 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -10.127 10.750 -1.360 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -9.532 12.082 -0.340 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.207 11.008 -0.003 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.989 9.581 -0.725 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -6.391 11.211 -1.316 1.00 0.00 H new ATOM 432 N SER A 30 -8.392 9.895 3.263 1.00 0.00 N ATOM 433 CA SER A 30 -7.709 9.387 4.439 1.00 0.00 C ATOM 434 C SER A 30 -8.564 8.317 5.120 1.00 0.00 C ATOM 435 O SER A 30 -8.090 7.212 5.382 1.00 0.00 O ATOM 436 CB SER A 30 -7.389 10.515 5.421 1.00 0.00 C ATOM 437 OG SER A 30 -7.073 10.020 6.719 1.00 0.00 O ATOM 0 H SER A 30 -8.504 10.909 3.240 1.00 0.00 H new ATOM 0 HA SER A 30 -6.767 8.941 4.120 1.00 0.00 H new ATOM 0 HB2 SER A 30 -6.550 11.099 5.042 1.00 0.00 H new ATOM 0 HB3 SER A 30 -8.242 11.190 5.488 1.00 0.00 H new ATOM 0 HG SER A 30 -6.873 10.771 7.316 1.00 0.00 H new ATOM 442 N GLU A 31 -9.809 8.682 5.388 1.00 0.00 N ATOM 443 CA GLU A 31 -10.735 7.766 6.033 1.00 0.00 C ATOM 444 C GLU A 31 -11.105 6.627 5.081 1.00 0.00 C ATOM 445 O GLU A 31 -11.288 5.489 5.512 1.00 0.00 O ATOM 446 CB GLU A 31 -11.985 8.502 6.519 1.00 0.00 C ATOM 447 CG GLU A 31 -12.529 9.434 5.433 1.00 0.00 C ATOM 448 CD GLU A 31 -14.026 9.202 5.211 1.00 0.00 C ATOM 449 OE1 GLU A 31 -14.414 8.015 5.165 1.00 0.00 O ATOM 450 OE2 GLU A 31 -14.746 10.217 5.092 1.00 0.00 O ATOM 0 H GLU A 31 -10.198 9.599 5.170 1.00 0.00 H new ATOM 0 HA GLU A 31 -10.243 7.338 6.906 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -12.751 7.779 6.800 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -11.747 9.079 7.413 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -12.357 10.472 5.719 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -11.989 9.267 4.501 1.00 0.00 H new ATOM 455 N GLU A 32 -11.204 6.972 3.806 1.00 0.00 N ATOM 456 CA GLU A 32 -11.549 5.992 2.791 1.00 0.00 C ATOM 457 C GLU A 32 -10.465 4.915 2.701 1.00 0.00 C ATOM 458 O GLU A 32 -10.764 3.724 2.738 1.00 0.00 O ATOM 459 CB GLU A 32 -11.769 6.663 1.434 1.00 0.00 C ATOM 460 CG GLU A 32 -13.236 6.577 1.011 1.00 0.00 C ATOM 461 CD GLU A 32 -13.474 7.328 -0.301 1.00 0.00 C ATOM 462 OE1 GLU A 32 -13.595 8.570 -0.231 1.00 0.00 O ATOM 463 OE2 GLU A 32 -13.530 6.643 -1.345 1.00 0.00 O ATOM 0 H GLU A 32 -11.051 7.917 3.453 1.00 0.00 H new ATOM 0 HA GLU A 32 -12.485 5.514 3.079 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.463 7.708 1.487 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.141 6.185 0.682 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -13.523 5.532 0.893 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -13.869 6.996 1.794 1.00 0.00 H new ATOM 468 N LEU A 33 -9.227 5.376 2.586 1.00 0.00 N ATOM 469 CA LEU A 33 -8.097 4.467 2.491 1.00 0.00 C ATOM 470 C LEU A 33 -8.154 3.468 3.647 1.00 0.00 C ATOM 471 O LEU A 33 -7.917 2.276 3.454 1.00 0.00 O ATOM 472 CB LEU A 33 -6.785 5.251 2.420 1.00 0.00 C ATOM 473 CG LEU A 33 -5.572 4.482 1.895 1.00 0.00 C ATOM 474 CD1 LEU A 33 -5.173 3.363 2.860 1.00 0.00 C ATOM 475 CD2 LEU A 33 -5.826 3.955 0.481 1.00 0.00 C ATOM 0 H LEU A 33 -8.982 6.366 2.557 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.148 3.890 1.568 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.940 6.123 1.785 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.551 5.621 3.418 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.730 5.172 1.835 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.308 2.832 2.463 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.922 3.792 3.830 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.005 2.668 2.975 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.948 3.412 0.132 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.686 3.285 0.491 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.025 4.792 -0.189 1.00 0.00 H new ATOM 486 N VAL A 34 -8.470 3.988 4.823 1.00 0.00 N ATOM 487 CA VAL A 34 -8.562 3.155 6.010 1.00 0.00 C ATOM 488 C VAL A 34 -9.605 2.060 5.781 1.00 0.00 C ATOM 489 O VAL A 34 -9.424 0.924 6.215 1.00 0.00 O ATOM 490 CB VAL A 34 -8.861 4.021 7.236 1.00 0.00 C ATOM 491 CG1 VAL A 34 -8.681 3.223 8.529 1.00 0.00 C ATOM 492 CG2 VAL A 34 -7.993 5.281 7.243 1.00 0.00 C ATOM 0 H VAL A 34 -8.666 4.977 4.980 1.00 0.00 H new ATOM 0 HA VAL A 34 -7.610 2.660 6.204 1.00 0.00 H new ATOM 0 HB VAL A 34 -9.904 4.334 7.178 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -8.900 3.862 9.384 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -9.362 2.372 8.529 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -7.653 2.866 8.596 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -8.226 5.878 8.125 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -6.941 4.998 7.264 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -8.193 5.866 6.345 1.00 0.00 H new ATOM 502 N GLN A 35 -10.676 2.443 5.101 1.00 0.00 N ATOM 503 CA GLN A 35 -11.749 1.508 4.809 1.00 0.00 C ATOM 504 C GLN A 35 -11.242 0.381 3.907 1.00 0.00 C ATOM 505 O GLN A 35 -11.784 -0.723 3.922 1.00 0.00 O ATOM 506 CB GLN A 35 -12.942 2.224 4.173 1.00 0.00 C ATOM 507 CG GLN A 35 -14.067 2.427 5.190 1.00 0.00 C ATOM 508 CD GLN A 35 -15.278 3.101 4.542 1.00 0.00 C ATOM 509 OE1 GLN A 35 -15.174 4.128 3.892 1.00 0.00 O ATOM 510 NE2 GLN A 35 -16.428 2.470 4.757 1.00 0.00 N ATOM 0 H GLN A 35 -10.823 3.387 4.744 1.00 0.00 H new ATOM 0 HA GLN A 35 -12.088 1.070 5.748 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -12.624 3.190 3.780 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -13.311 1.642 3.328 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -14.362 1.464 5.608 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -13.707 3.037 6.019 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -16.444 1.614 5.311 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -17.294 2.842 4.368 1.00 0.00 H new ATOM 517 N LYS A 36 -10.207 0.699 3.144 1.00 0.00 N ATOM 518 CA LYS A 36 -9.620 -0.274 2.237 1.00 0.00 C ATOM 519 C LYS A 36 -9.007 -1.417 3.049 1.00 0.00 C ATOM 520 O LYS A 36 -8.977 -2.559 2.593 1.00 0.00 O ATOM 521 CB LYS A 36 -8.629 0.407 1.290 1.00 0.00 C ATOM 522 CG LYS A 36 -9.248 1.651 0.651 1.00 0.00 C ATOM 523 CD LYS A 36 -10.544 1.303 -0.084 1.00 0.00 C ATOM 524 CE LYS A 36 -10.744 2.207 -1.302 1.00 0.00 C ATOM 525 NZ LYS A 36 -12.030 1.901 -1.968 1.00 0.00 N ATOM 0 H LYS A 36 -9.760 1.616 3.135 1.00 0.00 H new ATOM 0 HA LYS A 36 -10.388 -0.711 1.599 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -7.729 0.685 1.838 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -8.325 -0.293 0.512 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -9.451 2.396 1.420 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -8.539 2.097 -0.046 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.518 0.260 -0.401 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -11.391 1.409 0.594 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.727 3.252 -0.993 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.922 2.069 -2.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -12.151 2.523 -2.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -12.032 0.909 -2.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -12.812 2.056 -1.300 1.00 0.00 H new ATOM 535 N TYR A 37 -8.536 -1.071 4.238 1.00 0.00 N ATOM 536 CA TYR A 37 -7.928 -2.054 5.117 1.00 0.00 C ATOM 537 C TYR A 37 -8.716 -3.365 5.102 1.00 0.00 C ATOM 538 O TYR A 37 -8.156 -4.434 5.346 1.00 0.00 O ATOM 539 CB TYR A 37 -7.984 -1.455 6.524 1.00 0.00 C ATOM 540 CG TYR A 37 -7.495 -2.399 7.623 1.00 0.00 C ATOM 541 CD1 TYR A 37 -6.220 -2.927 7.563 1.00 0.00 C ATOM 542 CD2 TYR A 37 -8.327 -2.724 8.675 1.00 0.00 C ATOM 543 CE1 TYR A 37 -5.761 -3.816 8.598 1.00 0.00 C ATOM 544 CE2 TYR A 37 -7.866 -3.614 9.710 1.00 0.00 C ATOM 545 CZ TYR A 37 -6.606 -4.115 9.619 1.00 0.00 C ATOM 546 OH TYR A 37 -6.170 -4.956 10.597 1.00 0.00 O ATOM 0 H TYR A 37 -8.563 -0.123 4.613 1.00 0.00 H new ATOM 0 HA TYR A 37 -6.910 -2.276 4.798 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -7.382 -0.547 6.545 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -9.011 -1.162 6.742 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -5.568 -2.673 6.740 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -9.324 -2.311 8.722 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -4.767 -4.236 8.564 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -8.507 -3.877 10.539 1.00 0.00 H new ATOM 0 HH TYR A 37 -6.879 -5.079 11.263 1.00 0.00 H new ATOM 555 N SER A 38 -10.004 -3.241 4.815 1.00 0.00 N ATOM 556 CA SER A 38 -10.874 -4.403 4.765 1.00 0.00 C ATOM 557 C SER A 38 -10.313 -5.436 3.787 1.00 0.00 C ATOM 558 O SER A 38 -10.379 -6.638 4.041 1.00 0.00 O ATOM 559 CB SER A 38 -12.297 -4.009 4.363 1.00 0.00 C ATOM 560 OG SER A 38 -13.245 -5.021 4.694 1.00 0.00 O ATOM 0 H SER A 38 -10.465 -2.354 4.615 1.00 0.00 H new ATOM 0 HA SER A 38 -10.915 -4.842 5.762 1.00 0.00 H new ATOM 0 HB2 SER A 38 -12.570 -3.079 4.862 1.00 0.00 H new ATOM 0 HB3 SER A 38 -12.331 -3.817 3.291 1.00 0.00 H new ATOM 0 HG SER A 38 -14.141 -4.731 4.423 1.00 0.00 H new ATOM 565 N ASN A 39 -9.775 -4.931 2.686 1.00 0.00 N ATOM 566 CA ASN A 39 -9.203 -5.795 1.668 1.00 0.00 C ATOM 567 C ASN A 39 -7.923 -6.436 2.209 1.00 0.00 C ATOM 568 O ASN A 39 -7.577 -7.554 1.831 1.00 0.00 O ATOM 569 CB ASN A 39 -8.841 -5.001 0.412 1.00 0.00 C ATOM 570 CG ASN A 39 -9.271 -5.746 -0.853 1.00 0.00 C ATOM 571 OD1 ASN A 39 -10.289 -6.418 -0.893 1.00 0.00 O ATOM 572 ND2 ASN A 39 -8.441 -5.592 -1.880 1.00 0.00 N ATOM 0 H ASN A 39 -9.723 -3.934 2.477 1.00 0.00 H new ATOM 0 HA ASN A 39 -9.944 -6.553 1.414 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -9.323 -4.024 0.444 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -7.766 -4.825 0.386 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -8.639 -6.051 -2.769 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -7.606 -5.015 -1.779 1.00 0.00 H new ATOM 578 N SER A 40 -7.255 -5.699 3.084 1.00 0.00 N ATOM 579 CA SER A 40 -6.021 -6.181 3.680 1.00 0.00 C ATOM 580 C SER A 40 -6.273 -7.501 4.411 1.00 0.00 C ATOM 581 O SER A 40 -5.333 -8.224 4.738 1.00 0.00 O ATOM 582 CB SER A 40 -5.433 -5.146 4.642 1.00 0.00 C ATOM 583 OG SER A 40 -5.928 -5.307 5.967 1.00 0.00 O ATOM 0 H SER A 40 -7.545 -4.772 3.394 1.00 0.00 H new ATOM 0 HA SER A 40 -5.298 -6.348 2.881 1.00 0.00 H new ATOM 0 HB2 SER A 40 -4.346 -5.233 4.648 1.00 0.00 H new ATOM 0 HB3 SER A 40 -5.671 -4.144 4.286 1.00 0.00 H new ATOM 0 HG SER A 40 -6.504 -4.548 6.195 1.00 0.00 H new ATOM 588 N ALA A 41 -7.549 -7.776 4.646 1.00 0.00 N ATOM 589 CA ALA A 41 -7.936 -8.997 5.333 1.00 0.00 C ATOM 590 C ALA A 41 -7.483 -10.205 4.510 1.00 0.00 C ATOM 591 O ALA A 41 -7.023 -11.201 5.066 1.00 0.00 O ATOM 592 CB ALA A 41 -9.447 -8.989 5.573 1.00 0.00 C ATOM 0 H ALA A 41 -8.326 -7.175 4.373 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.451 -9.061 6.307 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -9.738 -9.904 6.088 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -9.714 -8.127 6.185 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -9.967 -8.930 4.617 1.00 0.00 H new ATOM 598 N LEU A 42 -7.628 -10.077 3.200 1.00 0.00 N ATOM 599 CA LEU A 42 -7.240 -11.146 2.296 1.00 0.00 C ATOM 600 C LEU A 42 -5.787 -11.538 2.572 1.00 0.00 C ATOM 601 O LEU A 42 -5.525 -12.491 3.305 1.00 0.00 O ATOM 602 CB LEU A 42 -7.502 -10.742 0.844 1.00 0.00 C ATOM 603 CG LEU A 42 -8.954 -10.412 0.491 1.00 0.00 C ATOM 604 CD1 LEU A 42 -9.911 -10.936 1.563 1.00 0.00 C ATOM 605 CD2 LEU A 42 -9.132 -8.912 0.248 1.00 0.00 C ATOM 0 H LEU A 42 -8.009 -9.249 2.742 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.850 -12.033 2.471 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.886 -9.873 0.613 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -7.166 -11.552 0.196 1.00 0.00 H new ATOM 0 HG LEU A 42 -9.203 -10.921 -0.440 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -10.936 -10.688 1.288 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -9.809 -12.018 1.645 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -9.671 -10.475 2.521 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -10.173 -8.705 -0.001 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -8.858 -8.362 1.149 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -8.492 -8.599 -0.577 1.00 0.00 H new ATOM 616 N GLY A 43 -4.879 -10.783 1.971 1.00 0.00 N ATOM 617 CA GLY A 43 -3.458 -11.040 2.142 1.00 0.00 C ATOM 618 C GLY A 43 -2.713 -9.761 2.528 1.00 0.00 C ATOM 619 O GLY A 43 -1.505 -9.657 2.322 1.00 0.00 O ATOM 0 H GLY A 43 -5.099 -9.993 1.365 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.312 -11.797 2.912 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -3.043 -11.442 1.217 1.00 0.00 H new ATOM 623 N HIS A 44 -3.465 -8.820 3.081 1.00 0.00 N ATOM 624 CA HIS A 44 -2.890 -7.553 3.498 1.00 0.00 C ATOM 625 C HIS A 44 -2.397 -6.784 2.270 1.00 0.00 C ATOM 626 O HIS A 44 -1.297 -6.235 2.279 1.00 0.00 O ATOM 627 CB HIS A 44 -1.792 -7.770 4.541 1.00 0.00 C ATOM 628 CG HIS A 44 -2.303 -8.252 5.879 1.00 0.00 C ATOM 629 ND1 HIS A 44 -3.191 -9.239 6.191 1.00 0.00 N flip ATOM 630 CD2 HIS A 44 -1.897 -7.697 7.080 1.00 0.00 C flip ATOM 631 CE1 HIS A 44 -3.319 -9.286 7.511 1.00 0.00 C flip ATOM 632 NE2 HIS A 44 -2.518 -8.331 8.064 1.00 0.00 N flip ATOM 0 H HIS A 44 -4.467 -8.910 3.250 1.00 0.00 H new ATOM 0 HA HIS A 44 -3.655 -6.945 3.982 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -1.076 -8.495 4.154 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -1.252 -6.834 4.685 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -1.194 -6.885 7.196 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -3.953 -9.968 8.057 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -2.415 -8.138 9.060 1.00 0.00 H new ATOM 640 N VAL A 45 -3.234 -6.772 1.244 1.00 0.00 N ATOM 641 CA VAL A 45 -2.898 -6.080 0.012 1.00 0.00 C ATOM 642 C VAL A 45 -3.113 -4.577 0.200 1.00 0.00 C ATOM 643 O VAL A 45 -2.570 -3.769 -0.552 1.00 0.00 O ATOM 644 CB VAL A 45 -3.707 -6.658 -1.151 1.00 0.00 C ATOM 645 CG1 VAL A 45 -3.156 -8.020 -1.578 1.00 0.00 C ATOM 646 CG2 VAL A 45 -5.190 -6.756 -0.791 1.00 0.00 C ATOM 0 H VAL A 45 -4.145 -7.231 1.241 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.847 -6.230 -0.234 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.611 -5.977 -1.997 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.749 -8.409 -2.406 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.119 -7.910 -1.894 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.207 -8.713 -0.738 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -5.743 -7.170 -1.635 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.312 -7.405 0.076 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.574 -5.763 -0.558 1.00 0.00 H new ATOM 656 N ASN A 46 -3.906 -4.247 1.209 1.00 0.00 N ATOM 657 CA ASN A 46 -4.198 -2.855 1.506 1.00 0.00 C ATOM 658 C ASN A 46 -3.243 -2.357 2.592 1.00 0.00 C ATOM 659 O ASN A 46 -2.873 -1.184 2.609 1.00 0.00 O ATOM 660 CB ASN A 46 -5.629 -2.691 2.025 1.00 0.00 C ATOM 661 CG ASN A 46 -6.545 -2.125 0.937 1.00 0.00 C ATOM 662 OD1 ASN A 46 -7.601 -2.658 0.639 1.00 0.00 O ATOM 663 ND2 ASN A 46 -6.083 -1.017 0.365 1.00 0.00 N ATOM 0 H ASN A 46 -4.355 -4.919 1.831 1.00 0.00 H new ATOM 0 HA ASN A 46 -4.079 -2.283 0.586 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -6.010 -3.655 2.361 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -5.632 -2.028 2.890 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -6.621 -0.561 -0.371 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -5.190 -0.623 0.663 1.00 0.00 H new ATOM 669 N CYS A 47 -2.871 -3.275 3.474 1.00 0.00 N ATOM 670 CA CYS A 47 -1.966 -2.943 4.561 1.00 0.00 C ATOM 671 C CYS A 47 -0.692 -2.344 3.960 1.00 0.00 C ATOM 672 O CYS A 47 -0.042 -1.506 4.583 1.00 0.00 O ATOM 673 CB CYS A 47 -1.665 -4.161 5.437 1.00 0.00 C ATOM 674 SG CYS A 47 -2.335 -3.900 7.120 1.00 0.00 S ATOM 0 H CYS A 47 -3.180 -4.247 3.457 1.00 0.00 H new ATOM 0 HA CYS A 47 -2.436 -2.211 5.218 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -2.106 -5.055 4.996 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -0.589 -4.327 5.486 1.00 0.00 H new ATOM 0 HG CYS A 47 -2.077 -4.940 7.856 1.00 0.00 H new ATOM 679 N THR A 48 -0.374 -2.799 2.757 1.00 0.00 N ATOM 680 CA THR A 48 0.810 -2.318 2.064 1.00 0.00 C ATOM 681 C THR A 48 0.655 -0.838 1.706 1.00 0.00 C ATOM 682 O THR A 48 1.524 -0.026 2.020 1.00 0.00 O ATOM 683 CB THR A 48 1.044 -3.216 0.849 1.00 0.00 C ATOM 684 OG1 THR A 48 2.446 -3.120 0.611 1.00 0.00 O ATOM 685 CG2 THR A 48 0.410 -2.655 -0.425 1.00 0.00 C ATOM 0 H THR A 48 -0.915 -3.495 2.244 1.00 0.00 H new ATOM 0 HA THR A 48 1.692 -2.374 2.702 1.00 0.00 H new ATOM 0 HB THR A 48 0.640 -4.208 1.048 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.686 -3.674 -0.161 1.00 0.00 H new ATOM 0 HG21 THR A 48 0.606 -3.331 -1.257 1.00 0.00 H new ATOM 0 HG22 THR A 48 -0.666 -2.557 -0.283 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.838 -1.677 -0.644 1.00 0.00 H new ATOM 693 N ILE A 49 -0.456 -0.534 1.053 1.00 0.00 N ATOM 694 CA ILE A 49 -0.737 0.832 0.649 1.00 0.00 C ATOM 695 C ILE A 49 -1.085 1.665 1.884 1.00 0.00 C ATOM 696 O ILE A 49 -0.829 2.866 1.920 1.00 0.00 O ATOM 697 CB ILE A 49 -1.817 0.860 -0.435 1.00 0.00 C ATOM 698 CG1 ILE A 49 -3.133 0.281 0.088 1.00 0.00 C ATOM 699 CG2 ILE A 49 -1.340 0.148 -1.702 1.00 0.00 C ATOM 700 CD1 ILE A 49 -3.772 1.216 1.116 1.00 0.00 C ATOM 0 H ILE A 49 -1.173 -1.211 0.793 1.00 0.00 H new ATOM 0 HA ILE A 49 0.147 1.284 0.198 1.00 0.00 H new ATOM 0 HB ILE A 49 -2.007 1.900 -0.702 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.821 0.123 -0.743 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -2.951 -0.694 0.541 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.126 0.182 -2.456 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.448 0.644 -2.084 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.105 -0.891 -1.469 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -4.706 0.781 1.472 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.091 1.352 1.956 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -3.975 2.182 0.653 1.00 0.00 H new ATOM 711 N LYS A 50 -1.663 0.992 2.868 1.00 0.00 N ATOM 712 CA LYS A 50 -2.050 1.653 4.103 1.00 0.00 C ATOM 713 C LYS A 50 -0.869 2.474 4.626 1.00 0.00 C ATOM 714 O LYS A 50 -1.062 3.498 5.280 1.00 0.00 O ATOM 715 CB LYS A 50 -2.586 0.635 5.112 1.00 0.00 C ATOM 716 CG LYS A 50 -4.076 0.370 4.883 1.00 0.00 C ATOM 717 CD LYS A 50 -4.652 -0.511 5.993 1.00 0.00 C ATOM 718 CE LYS A 50 -4.834 0.285 7.286 1.00 0.00 C ATOM 719 NZ LYS A 50 -4.008 -0.294 8.371 1.00 0.00 N ATOM 0 H LYS A 50 -1.873 -0.006 2.835 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.870 2.349 3.923 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -2.029 -0.298 5.024 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -2.430 1.005 6.125 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -4.616 1.316 4.847 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -4.219 -0.115 3.917 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -5.611 -0.921 5.676 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -3.988 -1.356 6.173 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -4.553 1.325 7.122 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -5.884 0.281 7.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.103 0.287 9.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -4.329 -1.263 8.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -3.011 -0.314 8.075 1.00 0.00 H new ATOM 729 N GLU A 51 0.327 1.994 4.320 1.00 0.00 N ATOM 730 CA GLU A 51 1.538 2.670 4.752 1.00 0.00 C ATOM 731 C GLU A 51 1.497 4.145 4.344 1.00 0.00 C ATOM 732 O GLU A 51 2.065 4.996 5.026 1.00 0.00 O ATOM 733 CB GLU A 51 2.782 1.981 4.187 1.00 0.00 C ATOM 734 CG GLU A 51 2.886 0.540 4.692 1.00 0.00 C ATOM 735 CD GLU A 51 4.117 -0.157 4.107 1.00 0.00 C ATOM 736 OE1 GLU A 51 4.007 -0.634 2.957 1.00 0.00 O ATOM 737 OE2 GLU A 51 5.140 -0.198 4.825 1.00 0.00 O ATOM 0 H GLU A 51 0.483 1.144 3.778 1.00 0.00 H new ATOM 0 HA GLU A 51 1.593 2.614 5.839 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.742 1.987 3.098 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.674 2.537 4.477 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.944 0.535 5.780 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.987 -0.011 4.418 1.00 0.00 H new ATOM 742 N LEU A 52 0.819 4.401 3.235 1.00 0.00 N ATOM 743 CA LEU A 52 0.696 5.757 2.730 1.00 0.00 C ATOM 744 C LEU A 52 0.057 6.641 3.803 1.00 0.00 C ATOM 745 O LEU A 52 0.635 7.650 4.205 1.00 0.00 O ATOM 746 CB LEU A 52 -0.057 5.766 1.398 1.00 0.00 C ATOM 747 CG LEU A 52 0.521 6.668 0.305 1.00 0.00 C ATOM 748 CD1 LEU A 52 0.664 8.108 0.803 1.00 0.00 C ATOM 749 CD2 LEU A 52 1.844 6.110 -0.223 1.00 0.00 C ATOM 0 H LEU A 52 0.349 3.692 2.672 1.00 0.00 H new ATOM 0 HA LEU A 52 1.680 6.175 2.517 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.093 4.745 1.017 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.086 6.072 1.587 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.178 6.684 -0.531 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.077 8.729 0.008 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.314 8.492 1.092 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.332 8.131 1.664 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.233 6.770 -0.998 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.563 6.045 0.593 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.679 5.117 -0.641 1.00 0.00 H new ATOM 760 N ARG A 53 -1.126 6.229 4.236 1.00 0.00 N ATOM 761 CA ARG A 53 -1.849 6.972 5.255 1.00 0.00 C ATOM 762 C ARG A 53 -1.015 7.066 6.534 1.00 0.00 C ATOM 763 O ARG A 53 -0.964 8.118 7.170 1.00 0.00 O ATOM 764 CB ARG A 53 -3.188 6.306 5.574 1.00 0.00 C ATOM 765 CG ARG A 53 -4.089 6.265 4.339 1.00 0.00 C ATOM 766 CD ARG A 53 -4.499 7.676 3.912 1.00 0.00 C ATOM 767 NE ARG A 53 -5.298 7.616 2.668 1.00 0.00 N ATOM 768 CZ ARG A 53 -4.769 7.529 1.439 1.00 0.00 C ATOM 769 NH1 ARG A 53 -3.439 7.491 1.284 1.00 0.00 N ATOM 770 NH2 ARG A 53 -5.572 7.480 0.367 1.00 0.00 N ATOM 0 H ARG A 53 -1.601 5.391 3.900 1.00 0.00 H new ATOM 0 HA ARG A 53 -2.038 7.973 4.866 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.017 5.293 5.937 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -3.688 6.851 6.375 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.567 5.771 3.520 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -4.979 5.673 4.553 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -5.079 8.150 4.704 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -3.612 8.290 3.755 1.00 0.00 H new ATOM 0 HE ARG A 53 -6.314 7.642 2.751 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -2.829 7.528 2.101 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -3.036 7.425 0.349 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -6.585 7.509 0.487 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.171 7.414 -0.568 1.00 0.00 H new ATOM 781 N ARG A 54 -0.382 5.953 6.874 1.00 0.00 N ATOM 782 CA ARG A 54 0.446 5.897 8.067 1.00 0.00 C ATOM 783 C ARG A 54 1.919 5.739 7.682 1.00 0.00 C ATOM 784 O ARG A 54 2.555 6.696 7.244 1.00 0.00 O ATOM 785 CB ARG A 54 0.035 4.732 8.969 1.00 0.00 C ATOM 786 CG ARG A 54 -0.247 5.215 10.393 1.00 0.00 C ATOM 787 CD ARG A 54 -1.536 4.595 10.938 1.00 0.00 C ATOM 788 NE ARG A 54 -1.640 4.843 12.393 1.00 0.00 N ATOM 789 CZ ARG A 54 -0.972 4.149 13.324 1.00 0.00 C ATOM 790 NH1 ARG A 54 -0.144 3.161 12.957 1.00 0.00 N ATOM 791 NH2 ARG A 54 -1.129 4.444 14.622 1.00 0.00 N ATOM 0 H ARG A 54 -0.426 5.083 6.344 1.00 0.00 H new ATOM 0 HA ARG A 54 0.306 6.830 8.612 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.853 4.248 8.563 1.00 0.00 H new ATOM 0 HB3 ARG A 54 0.827 3.983 8.985 1.00 0.00 H new ATOM 0 HG2 ARG A 54 0.589 4.953 11.042 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.330 6.302 10.402 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.399 5.020 10.426 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.545 3.523 10.742 1.00 0.00 H new ATOM 0 HE ARG A 54 -2.260 5.590 12.707 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -0.023 2.938 11.969 1.00 0.00 H new ATOM 0 HH12 ARG A 54 0.365 2.632 13.666 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.757 5.197 14.901 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.620 3.915 15.330 1.00 0.00 H new TER 802 ARG A 54