USER MOD reduce.3.24.130724 H: found=0, std=0, add=473, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 473 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 28 HIS :FLIP no HD1:sc= -1.28 F(o=-3!,f=-1.2) USER MOD Set 1.2: A 30 SER OG : rot 85:sc= 0.124 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc=-0.00523 USER MOD Single : A 12 LYS NZ :NH3+ -125:sc= -1.11 (180deg=-3.3!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot -115:sc= 1.86 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 177:sc= 0.265 (180deg=0.261) USER MOD Single : A 45 SER OG : rot -140:sc= -1.84 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HD1:sc= -0.171 K(o=-0.17,f=-1.8!) USER MOD Single : A 52 THR OG1 : rot 43:sc= -1.71! USER MOD Single : A 61 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.276) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 11.915 0.999 -0.710 1.00 0.00 N ATOM 21 CA LYS A 2 10.578 1.669 -0.656 1.00 0.00 C ATOM 22 C LYS A 2 10.072 1.911 -2.080 1.00 0.00 C ATOM 23 O LYS A 2 10.730 1.579 -3.047 1.00 0.00 O ATOM 24 CB LYS A 2 10.709 3.009 0.073 1.00 0.00 C ATOM 25 CG LYS A 2 11.750 3.886 -0.626 1.00 0.00 C ATOM 26 CD LYS A 2 11.874 5.212 0.125 1.00 0.00 C ATOM 27 CE LYS A 2 12.927 6.093 -0.548 1.00 0.00 C ATOM 28 NZ LYS A 2 13.025 7.386 0.184 1.00 0.00 N ATOM 0 HA LYS A 2 9.873 1.032 -0.123 1.00 0.00 H new ATOM 0 HB2 LYS A 2 9.745 3.518 0.091 1.00 0.00 H new ATOM 0 HB3 LYS A 2 11.000 2.841 1.110 1.00 0.00 H new ATOM 0 HG2 LYS A 2 12.714 3.377 -0.652 1.00 0.00 H new ATOM 0 HG3 LYS A 2 11.457 4.066 -1.660 1.00 0.00 H new ATOM 0 HD2 LYS A 2 10.912 5.725 0.137 1.00 0.00 H new ATOM 0 HD3 LYS A 2 12.151 5.028 1.163 1.00 0.00 H new ATOM 0 HE2 LYS A 2 13.893 5.588 -0.550 1.00 0.00 H new ATOM 0 HE3 LYS A 2 12.658 6.270 -1.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 13.740 7.989 -0.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 12.103 7.867 0.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 13.300 7.206 1.171 1.00 0.00 H new ATOM 42 N GLY A 3 8.907 2.485 -2.216 1.00 0.00 N ATOM 43 CA GLY A 3 8.358 2.745 -3.576 1.00 0.00 C ATOM 44 C GLY A 3 7.247 3.790 -3.483 1.00 0.00 C ATOM 45 O GLY A 3 7.174 4.542 -2.531 1.00 0.00 O ATOM 0 H GLY A 3 8.312 2.785 -1.443 1.00 0.00 H new ATOM 0 HA2 GLY A 3 9.149 3.097 -4.238 1.00 0.00 H new ATOM 0 HA3 GLY A 3 7.969 1.822 -4.006 1.00 0.00 H new ATOM 49 N LYS A 4 6.379 3.842 -4.465 1.00 0.00 N ATOM 50 CA LYS A 4 5.262 4.838 -4.440 1.00 0.00 C ATOM 51 C LYS A 4 3.953 4.150 -4.814 1.00 0.00 C ATOM 52 O LYS A 4 3.935 3.187 -5.556 1.00 0.00 O ATOM 53 CB LYS A 4 5.559 5.960 -5.433 1.00 0.00 C ATOM 54 CG LYS A 4 6.814 6.707 -4.979 1.00 0.00 C ATOM 55 CD LYS A 4 6.993 7.982 -5.809 1.00 0.00 C ATOM 56 CE LYS A 4 7.359 7.624 -7.251 1.00 0.00 C ATOM 57 NZ LYS A 4 7.864 8.841 -7.945 1.00 0.00 N ATOM 0 H LYS A 4 6.396 3.236 -5.285 1.00 0.00 H new ATOM 0 HA LYS A 4 5.171 5.258 -3.438 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.706 5.550 -6.432 1.00 0.00 H new ATOM 0 HB3 LYS A 4 4.713 6.645 -5.491 1.00 0.00 H new ATOM 0 HG2 LYS A 4 6.734 6.960 -3.922 1.00 0.00 H new ATOM 0 HG3 LYS A 4 7.689 6.066 -5.089 1.00 0.00 H new ATOM 0 HD2 LYS A 4 6.074 8.567 -5.794 1.00 0.00 H new ATOM 0 HD3 LYS A 4 7.774 8.604 -5.371 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.119 6.843 -7.263 1.00 0.00 H new ATOM 0 HE3 LYS A 4 6.487 7.229 -7.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 8.114 8.603 -8.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 7.125 9.573 -7.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 8.706 9.199 -7.450 1.00 0.00 H new ATOM 71 N VAL A 5 2.852 4.628 -4.294 1.00 0.00 N ATOM 72 CA VAL A 5 1.546 3.986 -4.612 1.00 0.00 C ATOM 73 C VAL A 5 1.041 4.471 -5.979 1.00 0.00 C ATOM 74 O VAL A 5 0.880 5.654 -6.208 1.00 0.00 O ATOM 75 CB VAL A 5 0.529 4.334 -3.517 1.00 0.00 C ATOM 76 CG1 VAL A 5 0.059 5.782 -3.672 1.00 0.00 C ATOM 77 CG2 VAL A 5 -0.673 3.389 -3.626 1.00 0.00 C ATOM 0 H VAL A 5 2.803 5.431 -3.667 1.00 0.00 H new ATOM 0 HA VAL A 5 1.674 2.904 -4.653 1.00 0.00 H new ATOM 0 HB VAL A 5 1.001 4.221 -2.541 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -0.662 6.016 -2.889 1.00 0.00 H new ATOM 0 HG12 VAL A 5 0.914 6.453 -3.590 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.410 5.910 -4.648 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.399 3.632 -2.850 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -1.137 3.503 -4.606 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -0.339 2.359 -3.500 1.00 0.00 H new ATOM 87 N VAL A 6 0.789 3.564 -6.886 1.00 0.00 N ATOM 88 CA VAL A 6 0.289 3.967 -8.236 1.00 0.00 C ATOM 89 C VAL A 6 -1.241 3.931 -8.245 1.00 0.00 C ATOM 90 O VAL A 6 -1.887 4.686 -8.945 1.00 0.00 O ATOM 91 CB VAL A 6 0.834 2.997 -9.290 1.00 0.00 C ATOM 92 CG1 VAL A 6 0.465 1.561 -8.908 1.00 0.00 C ATOM 93 CG2 VAL A 6 0.225 3.328 -10.657 1.00 0.00 C ATOM 0 H VAL A 6 0.908 2.560 -6.751 1.00 0.00 H new ATOM 0 HA VAL A 6 0.627 4.978 -8.465 1.00 0.00 H new ATOM 0 HB VAL A 6 1.919 3.094 -9.339 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.854 0.873 -9.659 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.898 1.320 -7.937 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -0.620 1.466 -8.856 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.614 2.637 -11.405 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.860 3.234 -10.605 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.487 4.349 -10.935 1.00 0.00 H new ATOM 103 N SER A 7 -1.830 3.053 -7.478 1.00 0.00 N ATOM 104 CA SER A 7 -3.318 2.967 -7.451 1.00 0.00 C ATOM 105 C SER A 7 -3.783 2.325 -6.143 1.00 0.00 C ATOM 106 O SER A 7 -3.114 1.485 -5.576 1.00 0.00 O ATOM 107 CB SER A 7 -3.798 2.113 -8.625 1.00 0.00 C ATOM 108 OG SER A 7 -5.215 1.991 -8.570 1.00 0.00 O ATOM 0 H SER A 7 -1.346 2.393 -6.870 1.00 0.00 H new ATOM 0 HA SER A 7 -3.733 3.972 -7.527 1.00 0.00 H new ATOM 0 HB2 SER A 7 -3.497 2.569 -9.568 1.00 0.00 H new ATOM 0 HB3 SER A 7 -3.335 1.127 -8.586 1.00 0.00 H new ATOM 0 HG SER A 7 -5.526 1.445 -9.322 1.00 0.00 H new ATOM 114 N TYR A 8 -4.940 2.706 -5.678 1.00 0.00 N ATOM 115 CA TYR A 8 -5.485 2.120 -4.424 1.00 0.00 C ATOM 116 C TYR A 8 -7.000 2.326 -4.407 1.00 0.00 C ATOM 117 O TYR A 8 -7.483 3.420 -4.189 1.00 0.00 O ATOM 118 CB TYR A 8 -4.854 2.799 -3.202 1.00 0.00 C ATOM 119 CG TYR A 8 -5.589 2.360 -1.953 1.00 0.00 C ATOM 120 CD1 TYR A 8 -5.479 1.038 -1.504 1.00 0.00 C ATOM 121 CD2 TYR A 8 -6.393 3.270 -1.255 1.00 0.00 C ATOM 122 CE1 TYR A 8 -6.171 0.627 -0.360 1.00 0.00 C ATOM 123 CE2 TYR A 8 -7.083 2.859 -0.109 1.00 0.00 C ATOM 124 CZ TYR A 8 -6.974 1.537 0.338 1.00 0.00 C ATOM 125 OH TYR A 8 -7.657 1.129 1.465 1.00 0.00 O ATOM 0 H TYR A 8 -5.537 3.406 -6.119 1.00 0.00 H new ATOM 0 HA TYR A 8 -5.252 1.056 -4.386 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -3.799 2.535 -3.129 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -4.905 3.883 -3.306 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -4.859 0.335 -2.041 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -6.480 4.289 -1.601 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -6.086 -0.393 -0.015 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -7.700 3.562 0.431 1.00 0.00 H new ATOM 0 HH TYR A 8 -8.166 1.883 1.830 1.00 0.00 H new ATOM 135 N LEU A 9 -7.755 1.280 -4.632 1.00 0.00 N ATOM 136 CA LEU A 9 -9.243 1.406 -4.628 1.00 0.00 C ATOM 137 C LEU A 9 -9.783 0.890 -3.295 1.00 0.00 C ATOM 138 O LEU A 9 -9.735 -0.290 -3.005 1.00 0.00 O ATOM 139 CB LEU A 9 -9.826 0.581 -5.785 1.00 0.00 C ATOM 140 CG LEU A 9 -9.710 1.371 -7.096 1.00 0.00 C ATOM 141 CD1 LEU A 9 -8.234 1.614 -7.433 1.00 0.00 C ATOM 142 CD2 LEU A 9 -10.369 0.573 -8.224 1.00 0.00 C ATOM 0 H LEU A 9 -7.403 0.341 -4.819 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.530 2.450 -4.755 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -9.294 -0.367 -5.872 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.871 0.343 -5.584 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.210 2.333 -6.984 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.161 2.175 -8.365 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -7.766 2.183 -6.629 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -7.724 0.657 -7.545 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -10.290 1.130 -9.158 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.867 -0.389 -8.331 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -11.420 0.409 -7.988 1.00 0.00 H new ATOM 154 N ALA A 10 -10.292 1.774 -2.483 1.00 0.00 N ATOM 155 CA ALA A 10 -10.839 1.359 -1.160 1.00 0.00 C ATOM 156 C ALA A 10 -12.082 0.488 -1.361 1.00 0.00 C ATOM 157 O ALA A 10 -12.317 -0.454 -0.631 1.00 0.00 O ATOM 158 CB ALA A 10 -11.216 2.605 -0.357 1.00 0.00 C ATOM 0 H ALA A 10 -10.353 2.773 -2.680 1.00 0.00 H new ATOM 0 HA ALA A 10 -10.084 0.787 -0.621 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -11.617 2.306 0.612 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -10.331 3.224 -0.208 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -11.969 3.174 -0.901 1.00 0.00 H new ATOM 164 N ALA A 11 -12.885 0.801 -2.339 1.00 0.00 N ATOM 165 CA ALA A 11 -14.117 -0.004 -2.581 1.00 0.00 C ATOM 166 C ALA A 11 -13.730 -1.444 -2.929 1.00 0.00 C ATOM 167 O ALA A 11 -14.368 -2.390 -2.510 1.00 0.00 O ATOM 168 CB ALA A 11 -14.897 0.604 -3.748 1.00 0.00 C ATOM 0 H ALA A 11 -12.742 1.580 -2.982 1.00 0.00 H new ATOM 0 HA ALA A 11 -14.734 -0.000 -1.683 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -15.798 0.018 -3.928 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -15.174 1.630 -3.505 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -14.276 0.598 -4.644 1.00 0.00 H new ATOM 174 N LYS A 12 -12.687 -1.614 -3.694 1.00 0.00 N ATOM 175 CA LYS A 12 -12.244 -2.988 -4.079 1.00 0.00 C ATOM 176 C LYS A 12 -11.091 -3.418 -3.177 1.00 0.00 C ATOM 177 O LYS A 12 -10.482 -4.445 -3.392 1.00 0.00 O ATOM 178 CB LYS A 12 -11.779 -2.978 -5.534 1.00 0.00 C ATOM 179 CG LYS A 12 -12.977 -2.710 -6.445 1.00 0.00 C ATOM 180 CD LYS A 12 -12.504 -2.601 -7.899 1.00 0.00 C ATOM 181 CE LYS A 12 -11.954 -3.953 -8.385 1.00 0.00 C ATOM 182 NZ LYS A 12 -10.507 -4.049 -8.041 1.00 0.00 N ATOM 0 H LYS A 12 -12.118 -0.857 -4.072 1.00 0.00 H new ATOM 0 HA LYS A 12 -13.073 -3.687 -3.967 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -11.018 -2.211 -5.679 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -11.321 -3.934 -5.788 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -13.707 -3.514 -6.349 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -13.476 -1.789 -6.144 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -13.332 -2.288 -8.535 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -11.732 -1.836 -7.981 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -12.505 -4.771 -7.921 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -12.090 -4.048 -9.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -9.958 -4.251 -8.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -10.187 -3.149 -7.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -10.364 -4.814 -7.352 1.00 0.00 H new ATOM 196 N LYS A 13 -10.795 -2.631 -2.164 1.00 0.00 N ATOM 197 CA LYS A 13 -9.675 -2.960 -1.216 1.00 0.00 C ATOM 198 C LYS A 13 -8.526 -3.640 -1.964 1.00 0.00 C ATOM 199 O LYS A 13 -7.814 -4.464 -1.423 1.00 0.00 O ATOM 200 CB LYS A 13 -10.175 -3.880 -0.090 1.00 0.00 C ATOM 201 CG LYS A 13 -10.867 -5.118 -0.672 1.00 0.00 C ATOM 202 CD LYS A 13 -11.220 -6.086 0.455 1.00 0.00 C ATOM 203 CE LYS A 13 -11.911 -7.316 -0.135 1.00 0.00 C ATOM 204 NZ LYS A 13 -12.231 -8.280 0.954 1.00 0.00 N ATOM 0 H LYS A 13 -11.288 -1.764 -1.951 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.314 -2.029 -0.779 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -9.337 -4.186 0.536 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -10.869 -3.336 0.550 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -11.769 -4.824 -1.208 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.213 -5.607 -1.393 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -10.318 -6.383 0.991 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -11.874 -5.598 1.178 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -12.824 -7.020 -0.652 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -11.265 -7.789 -0.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -12.701 -9.116 0.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -11.353 -8.572 1.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -12.863 -7.827 1.644 1.00 0.00 H new ATOM 218 N TYR A 14 -8.350 -3.299 -3.212 1.00 0.00 N ATOM 219 CA TYR A 14 -7.259 -3.912 -4.026 1.00 0.00 C ATOM 220 C TYR A 14 -6.613 -2.836 -4.899 1.00 0.00 C ATOM 221 O TYR A 14 -7.282 -1.975 -5.433 1.00 0.00 O ATOM 222 CB TYR A 14 -7.853 -5.001 -4.921 1.00 0.00 C ATOM 223 CG TYR A 14 -6.757 -5.599 -5.769 1.00 0.00 C ATOM 224 CD1 TYR A 14 -5.822 -6.463 -5.189 1.00 0.00 C ATOM 225 CD2 TYR A 14 -6.672 -5.288 -7.132 1.00 0.00 C ATOM 226 CE1 TYR A 14 -4.803 -7.016 -5.969 1.00 0.00 C ATOM 227 CE2 TYR A 14 -5.651 -5.841 -7.912 1.00 0.00 C ATOM 228 CZ TYR A 14 -4.716 -6.706 -7.331 1.00 0.00 C ATOM 229 OH TYR A 14 -3.708 -7.249 -8.100 1.00 0.00 O ATOM 0 H TYR A 14 -8.921 -2.615 -3.708 1.00 0.00 H new ATOM 0 HA TYR A 14 -6.507 -4.346 -3.367 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -8.321 -5.774 -4.312 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -8.633 -4.581 -5.556 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -5.888 -6.703 -4.138 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -7.394 -4.622 -7.580 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -4.082 -7.683 -5.520 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -5.584 -5.601 -8.963 1.00 0.00 H new ATOM 0 HH TYR A 14 -3.112 -6.535 -8.409 1.00 0.00 H new ATOM 239 N GLY A 15 -5.316 -2.877 -5.051 1.00 0.00 N ATOM 240 CA GLY A 15 -4.638 -1.854 -5.892 1.00 0.00 C ATOM 241 C GLY A 15 -3.224 -2.321 -6.233 1.00 0.00 C ATOM 242 O GLY A 15 -2.904 -3.489 -6.130 1.00 0.00 O ATOM 0 H GLY A 15 -4.700 -3.573 -4.630 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -5.206 -1.687 -6.807 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.599 -0.902 -5.363 1.00 0.00 H new ATOM 246 N PHE A 16 -2.374 -1.412 -6.642 1.00 0.00 N ATOM 247 CA PHE A 16 -0.973 -1.788 -6.998 1.00 0.00 C ATOM 248 C PHE A 16 -0.011 -0.724 -6.474 1.00 0.00 C ATOM 249 O PHE A 16 -0.389 0.407 -6.234 1.00 0.00 O ATOM 250 CB PHE A 16 -0.840 -1.876 -8.520 1.00 0.00 C ATOM 251 CG PHE A 16 -1.653 -3.039 -9.030 1.00 0.00 C ATOM 252 CD1 PHE A 16 -1.081 -4.315 -9.099 1.00 0.00 C ATOM 253 CD2 PHE A 16 -2.977 -2.842 -9.437 1.00 0.00 C ATOM 254 CE1 PHE A 16 -1.834 -5.395 -9.575 1.00 0.00 C ATOM 255 CE2 PHE A 16 -3.731 -3.921 -9.913 1.00 0.00 C ATOM 256 CZ PHE A 16 -3.159 -5.198 -9.982 1.00 0.00 C ATOM 0 H PHE A 16 -2.593 -0.421 -6.745 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.734 -2.753 -6.551 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.183 -0.949 -8.980 1.00 0.00 H new ATOM 0 HB3 PHE A 16 0.207 -2.001 -8.798 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.059 -4.466 -8.785 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.417 -1.857 -9.384 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.393 -6.379 -9.628 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -4.753 -3.769 -10.227 1.00 0.00 H new ATOM 0 HZ PHE A 16 -3.740 -6.031 -10.349 1.00 0.00 H new ATOM 266 N ILE A 17 1.235 -1.087 -6.296 1.00 0.00 N ATOM 267 CA ILE A 17 2.255 -0.119 -5.791 1.00 0.00 C ATOM 268 C ILE A 17 3.467 -0.145 -6.724 1.00 0.00 C ATOM 269 O ILE A 17 3.961 -1.193 -7.086 1.00 0.00 O ATOM 270 CB ILE A 17 2.685 -0.524 -4.379 1.00 0.00 C ATOM 271 CG1 ILE A 17 1.484 -0.410 -3.435 1.00 0.00 C ATOM 272 CG2 ILE A 17 3.804 0.402 -3.897 1.00 0.00 C ATOM 273 CD1 ILE A 17 1.819 -1.063 -2.092 1.00 0.00 C ATOM 0 H ILE A 17 1.592 -2.024 -6.482 1.00 0.00 H new ATOM 0 HA ILE A 17 1.833 0.886 -5.764 1.00 0.00 H new ATOM 0 HB ILE A 17 3.048 -1.552 -4.388 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.225 0.638 -3.286 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.614 -0.894 -3.878 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.109 0.112 -2.891 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.657 0.324 -4.571 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.445 1.431 -3.884 1.00 0.00 H new ATOM 0 HD11 ILE A 17 0.962 -0.980 -1.423 1.00 0.00 H new ATOM 0 HD12 ILE A 17 2.057 -2.115 -2.248 1.00 0.00 H new ATOM 0 HD13 ILE A 17 2.677 -0.560 -1.647 1.00 0.00 H new ATOM 285 N GLN A 18 3.946 1.004 -7.120 1.00 0.00 N ATOM 286 CA GLN A 18 5.123 1.048 -8.032 1.00 0.00 C ATOM 287 C GLN A 18 6.408 0.978 -7.205 1.00 0.00 C ATOM 288 O GLN A 18 6.812 1.938 -6.578 1.00 0.00 O ATOM 289 CB GLN A 18 5.090 2.350 -8.836 1.00 0.00 C ATOM 290 CG GLN A 18 6.314 2.421 -9.751 1.00 0.00 C ATOM 291 CD GLN A 18 6.177 3.621 -10.689 1.00 0.00 C ATOM 292 OE1 GLN A 18 5.832 4.705 -10.262 1.00 0.00 O ATOM 293 NE2 GLN A 18 6.433 3.470 -11.960 1.00 0.00 N ATOM 0 H GLN A 18 3.572 1.914 -6.851 1.00 0.00 H new ATOM 0 HA GLN A 18 5.092 0.201 -8.717 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.177 2.400 -9.429 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.078 3.206 -8.161 1.00 0.00 H new ATOM 0 HG2 GLN A 18 7.222 2.513 -9.155 1.00 0.00 H new ATOM 0 HG3 GLN A 18 6.403 1.501 -10.329 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.723 2.560 -12.317 1.00 0.00 H new ATOM 0 HE22 GLN A 18 6.344 4.262 -12.596 1.00 0.00 H new ATOM 302 N GLY A 19 7.047 -0.161 -7.194 1.00 0.00 N ATOM 303 CA GLY A 19 8.300 -0.316 -6.403 1.00 0.00 C ATOM 304 C GLY A 19 9.421 0.525 -7.016 1.00 0.00 C ATOM 305 O GLY A 19 9.387 0.871 -8.180 1.00 0.00 O ATOM 0 H GLY A 19 6.752 -0.995 -7.702 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.128 -0.008 -5.372 1.00 0.00 H new ATOM 0 HA3 GLY A 19 8.595 -1.365 -6.378 1.00 0.00 H new ATOM 309 N ASP A 20 10.421 0.845 -6.239 1.00 0.00 N ATOM 310 CA ASP A 20 11.555 1.650 -6.775 1.00 0.00 C ATOM 311 C ASP A 20 12.280 0.839 -7.853 1.00 0.00 C ATOM 312 O ASP A 20 12.776 1.375 -8.824 1.00 0.00 O ATOM 313 CB ASP A 20 12.529 1.986 -5.640 1.00 0.00 C ATOM 314 CG ASP A 20 12.983 0.696 -4.951 1.00 0.00 C ATOM 315 OD1 ASP A 20 12.452 -0.351 -5.284 1.00 0.00 O ATOM 316 OD2 ASP A 20 13.857 0.778 -4.102 1.00 0.00 O ATOM 0 H ASP A 20 10.501 0.583 -5.256 1.00 0.00 H new ATOM 0 HA ASP A 20 11.176 2.576 -7.207 1.00 0.00 H new ATOM 0 HB2 ASP A 20 13.392 2.522 -6.035 1.00 0.00 H new ATOM 0 HB3 ASP A 20 12.048 2.645 -4.918 1.00 0.00 H new ATOM 321 N ASP A 21 12.337 -0.455 -7.687 1.00 0.00 N ATOM 322 CA ASP A 21 13.019 -1.317 -8.695 1.00 0.00 C ATOM 323 C ASP A 21 12.018 -1.688 -9.792 1.00 0.00 C ATOM 324 O ASP A 21 12.303 -2.476 -10.671 1.00 0.00 O ATOM 325 CB ASP A 21 13.533 -2.590 -8.013 1.00 0.00 C ATOM 326 CG ASP A 21 14.370 -3.402 -9.004 1.00 0.00 C ATOM 327 OD1 ASP A 21 15.359 -2.876 -9.486 1.00 0.00 O ATOM 328 OD2 ASP A 21 14.009 -4.539 -9.262 1.00 0.00 O ATOM 0 H ASP A 21 11.938 -0.955 -6.892 1.00 0.00 H new ATOM 0 HA ASP A 21 13.860 -0.780 -9.133 1.00 0.00 H new ATOM 0 HB2 ASP A 21 14.134 -2.330 -7.141 1.00 0.00 H new ATOM 0 HB3 ASP A 21 12.694 -3.187 -7.655 1.00 0.00 H new ATOM 333 N GLY A 22 10.845 -1.118 -9.748 1.00 0.00 N ATOM 334 CA GLY A 22 9.819 -1.424 -10.788 1.00 0.00 C ATOM 335 C GLY A 22 9.093 -2.727 -10.443 1.00 0.00 C ATOM 336 O GLY A 22 8.442 -3.324 -11.278 1.00 0.00 O ATOM 0 H GLY A 22 10.551 -0.451 -9.034 1.00 0.00 H new ATOM 0 HA2 GLY A 22 9.102 -0.606 -10.855 1.00 0.00 H new ATOM 0 HA3 GLY A 22 10.295 -1.511 -11.765 1.00 0.00 H new ATOM 340 N GLU A 23 9.192 -3.177 -9.219 1.00 0.00 N ATOM 341 CA GLU A 23 8.500 -4.443 -8.828 1.00 0.00 C ATOM 342 C GLU A 23 7.126 -4.117 -8.238 1.00 0.00 C ATOM 343 O GLU A 23 7.012 -3.453 -7.227 1.00 0.00 O ATOM 344 CB GLU A 23 9.347 -5.186 -7.788 1.00 0.00 C ATOM 345 CG GLU A 23 10.673 -5.615 -8.422 1.00 0.00 C ATOM 346 CD GLU A 23 10.415 -6.700 -9.473 1.00 0.00 C ATOM 347 OE1 GLU A 23 9.301 -7.194 -9.528 1.00 0.00 O ATOM 348 OE2 GLU A 23 11.343 -7.029 -10.195 1.00 0.00 O ATOM 0 H GLU A 23 9.721 -2.724 -8.474 1.00 0.00 H new ATOM 0 HA GLU A 23 8.371 -5.074 -9.708 1.00 0.00 H new ATOM 0 HB2 GLU A 23 9.534 -4.542 -6.929 1.00 0.00 H new ATOM 0 HB3 GLU A 23 8.808 -6.059 -7.421 1.00 0.00 H new ATOM 0 HG2 GLU A 23 11.161 -4.757 -8.884 1.00 0.00 H new ATOM 0 HG3 GLU A 23 11.349 -5.992 -7.655 1.00 0.00 H new ATOM 355 N SER A 24 6.082 -4.583 -8.869 1.00 0.00 N ATOM 356 CA SER A 24 4.710 -4.310 -8.359 1.00 0.00 C ATOM 357 C SER A 24 4.447 -5.173 -7.123 1.00 0.00 C ATOM 358 O SER A 24 4.977 -6.260 -6.994 1.00 0.00 O ATOM 359 CB SER A 24 3.689 -4.648 -9.449 1.00 0.00 C ATOM 360 OG SER A 24 3.691 -3.618 -10.430 1.00 0.00 O ATOM 0 H SER A 24 6.122 -5.144 -9.720 1.00 0.00 H new ATOM 0 HA SER A 24 4.620 -3.257 -8.091 1.00 0.00 H new ATOM 0 HB2 SER A 24 3.935 -5.605 -9.909 1.00 0.00 H new ATOM 0 HB3 SER A 24 2.695 -4.749 -9.014 1.00 0.00 H new ATOM 0 HG SER A 24 3.040 -3.832 -11.130 1.00 0.00 H new ATOM 366 N TYR A 25 3.632 -4.695 -6.210 1.00 0.00 N ATOM 367 CA TYR A 25 3.323 -5.478 -4.970 1.00 0.00 C ATOM 368 C TYR A 25 1.810 -5.563 -4.768 1.00 0.00 C ATOM 369 O TYR A 25 1.087 -4.608 -4.976 1.00 0.00 O ATOM 370 CB TYR A 25 3.969 -4.792 -3.765 1.00 0.00 C ATOM 371 CG TYR A 25 5.468 -4.872 -3.909 1.00 0.00 C ATOM 372 CD1 TYR A 25 6.129 -6.077 -3.642 1.00 0.00 C ATOM 373 CD2 TYR A 25 6.198 -3.751 -4.321 1.00 0.00 C ATOM 374 CE1 TYR A 25 7.516 -6.162 -3.789 1.00 0.00 C ATOM 375 CE2 TYR A 25 7.587 -3.835 -4.465 1.00 0.00 C ATOM 376 CZ TYR A 25 8.246 -5.042 -4.200 1.00 0.00 C ATOM 377 OH TYR A 25 9.615 -5.127 -4.348 1.00 0.00 O ATOM 0 H TYR A 25 3.165 -3.790 -6.272 1.00 0.00 H new ATOM 0 HA TYR A 25 3.721 -6.487 -5.072 1.00 0.00 H new ATOM 0 HB2 TYR A 25 3.650 -3.751 -3.707 1.00 0.00 H new ATOM 0 HB3 TYR A 25 3.652 -5.275 -2.841 1.00 0.00 H new ATOM 0 HD1 TYR A 25 5.566 -6.942 -3.322 1.00 0.00 H new ATOM 0 HD2 TYR A 25 5.689 -2.821 -4.528 1.00 0.00 H new ATOM 0 HE1 TYR A 25 8.024 -7.093 -3.585 1.00 0.00 H new ATOM 0 HE2 TYR A 25 8.151 -2.970 -4.780 1.00 0.00 H new ATOM 0 HH TYR A 25 9.967 -4.260 -4.640 1.00 0.00 H new ATOM 387 N PHE A 26 1.332 -6.707 -4.361 1.00 0.00 N ATOM 388 CA PHE A 26 -0.131 -6.879 -4.139 1.00 0.00 C ATOM 389 C PHE A 26 -0.535 -6.164 -2.849 1.00 0.00 C ATOM 390 O PHE A 26 0.208 -6.149 -1.888 1.00 0.00 O ATOM 391 CB PHE A 26 -0.441 -8.369 -4.006 1.00 0.00 C ATOM 392 CG PHE A 26 -0.134 -9.056 -5.312 1.00 0.00 C ATOM 393 CD1 PHE A 26 -1.097 -9.098 -6.325 1.00 0.00 C ATOM 394 CD2 PHE A 26 1.119 -9.644 -5.510 1.00 0.00 C ATOM 395 CE1 PHE A 26 -0.806 -9.728 -7.539 1.00 0.00 C ATOM 396 CE2 PHE A 26 1.410 -10.277 -6.724 1.00 0.00 C ATOM 397 CZ PHE A 26 0.447 -10.319 -7.739 1.00 0.00 C ATOM 0 H PHE A 26 1.896 -7.535 -4.172 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.684 -6.458 -4.978 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.152 -8.806 -3.203 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -1.489 -8.513 -3.743 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.065 -8.644 -6.170 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.862 -9.610 -4.727 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -1.548 -9.759 -8.323 1.00 0.00 H new ATOM 0 HE2 PHE A 26 2.377 -10.733 -6.878 1.00 0.00 H new ATOM 0 HZ PHE A 26 0.671 -10.807 -8.676 1.00 0.00 H new ATOM 407 N LEU A 27 -1.709 -5.577 -2.817 1.00 0.00 N ATOM 408 CA LEU A 27 -2.171 -4.865 -1.580 1.00 0.00 C ATOM 409 C LEU A 27 -3.521 -5.439 -1.143 1.00 0.00 C ATOM 410 O LEU A 27 -4.507 -5.341 -1.849 1.00 0.00 O ATOM 411 CB LEU A 27 -2.325 -3.372 -1.891 1.00 0.00 C ATOM 412 CG LEU A 27 -2.429 -2.561 -0.586 1.00 0.00 C ATOM 413 CD1 LEU A 27 -2.276 -1.072 -0.912 1.00 0.00 C ATOM 414 CD2 LEU A 27 -3.786 -2.812 0.107 1.00 0.00 C ATOM 0 H LEU A 27 -2.368 -5.560 -3.595 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.443 -4.999 -0.780 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.472 -3.026 -2.475 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.215 -3.210 -2.499 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.638 -2.876 0.094 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.348 -0.489 0.006 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.305 -0.899 -1.376 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.066 -0.767 -1.599 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.838 -2.229 1.027 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.595 -2.512 -0.559 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -3.884 -3.872 0.343 1.00 0.00 H new ATOM 426 N HIS A 28 -3.573 -6.035 0.022 1.00 0.00 N ATOM 427 CA HIS A 28 -4.856 -6.618 0.523 1.00 0.00 C ATOM 428 C HIS A 28 -4.985 -6.349 2.025 1.00 0.00 C ATOM 429 O HIS A 28 -4.056 -5.903 2.669 1.00 0.00 O ATOM 430 CB HIS A 28 -4.865 -8.127 0.269 1.00 0.00 C ATOM 431 CG HIS A 28 -6.192 -8.701 0.684 1.00 0.00 C ATOM 432 ND1 HIS A 28 -6.540 -9.579 1.680 1.00 0.00 N flip ATOM 433 CD2 HIS A 28 -7.374 -8.383 0.031 1.00 0.00 C flip ATOM 434 CE1 HIS A 28 -7.915 -9.804 1.650 1.00 0.00 C flip ATOM 435 NE2 HIS A 28 -8.367 -9.058 0.637 1.00 0.00 N flip ATOM 0 H HIS A 28 -2.777 -6.143 0.651 1.00 0.00 H new ATOM 0 HA HIS A 28 -5.694 -6.159 -0.001 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -4.684 -8.329 -0.787 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -4.060 -8.605 0.828 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -7.478 -7.715 -0.811 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -8.491 -10.443 2.304 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -9.347 -9.007 0.357 1.00 0.00 H new ATOM 443 N PHE A 29 -6.130 -6.616 2.590 1.00 0.00 N ATOM 444 CA PHE A 29 -6.321 -6.376 4.052 1.00 0.00 C ATOM 445 C PHE A 29 -5.354 -7.258 4.858 1.00 0.00 C ATOM 446 O PHE A 29 -4.742 -6.815 5.810 1.00 0.00 O ATOM 447 CB PHE A 29 -7.778 -6.718 4.433 1.00 0.00 C ATOM 448 CG PHE A 29 -8.644 -5.477 4.372 1.00 0.00 C ATOM 449 CD1 PHE A 29 -8.546 -4.606 3.284 1.00 0.00 C ATOM 450 CD2 PHE A 29 -9.544 -5.202 5.411 1.00 0.00 C ATOM 451 CE1 PHE A 29 -9.347 -3.459 3.231 1.00 0.00 C ATOM 452 CE2 PHE A 29 -10.343 -4.057 5.360 1.00 0.00 C ATOM 453 CZ PHE A 29 -10.246 -3.185 4.271 1.00 0.00 C ATOM 0 H PHE A 29 -6.944 -6.991 2.103 1.00 0.00 H new ATOM 0 HA PHE A 29 -6.117 -5.330 4.279 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -8.170 -7.476 3.755 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -7.808 -7.142 5.437 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -7.852 -4.818 2.484 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -9.620 -5.876 6.252 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -9.272 -2.786 2.390 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -11.035 -3.845 6.161 1.00 0.00 H new ATOM 0 HZ PHE A 29 -10.864 -2.300 4.231 1.00 0.00 H new ATOM 463 N SER A 30 -5.224 -8.501 4.494 1.00 0.00 N ATOM 464 CA SER A 30 -4.312 -9.406 5.250 1.00 0.00 C ATOM 465 C SER A 30 -2.905 -8.806 5.296 1.00 0.00 C ATOM 466 O SER A 30 -2.098 -9.156 6.135 1.00 0.00 O ATOM 467 CB SER A 30 -4.266 -10.773 4.568 1.00 0.00 C ATOM 468 OG SER A 30 -5.592 -11.250 4.383 1.00 0.00 O ATOM 0 H SER A 30 -5.709 -8.931 3.706 1.00 0.00 H new ATOM 0 HA SER A 30 -4.684 -9.521 6.268 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.758 -10.696 3.607 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.696 -11.476 5.175 1.00 0.00 H new ATOM 0 HG SER A 30 -5.960 -10.880 3.553 1.00 0.00 H new ATOM 474 N GLU A 31 -2.601 -7.905 4.403 1.00 0.00 N ATOM 475 CA GLU A 31 -1.240 -7.284 4.400 1.00 0.00 C ATOM 476 C GLU A 31 -1.242 -6.015 5.258 1.00 0.00 C ATOM 477 O GLU A 31 -0.211 -5.416 5.494 1.00 0.00 O ATOM 478 CB GLU A 31 -0.856 -6.926 2.966 1.00 0.00 C ATOM 479 CG GLU A 31 -0.641 -8.209 2.166 1.00 0.00 C ATOM 480 CD GLU A 31 -0.347 -7.857 0.708 1.00 0.00 C ATOM 481 OE1 GLU A 31 -0.310 -6.677 0.400 1.00 0.00 O ATOM 482 OE2 GLU A 31 -0.162 -8.774 -0.076 1.00 0.00 O ATOM 0 H GLU A 31 -3.233 -7.570 3.675 1.00 0.00 H new ATOM 0 HA GLU A 31 -0.520 -7.991 4.812 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -1.640 -6.324 2.507 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.052 -6.324 2.960 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.187 -8.779 2.588 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -1.527 -8.841 2.227 1.00 0.00 H new ATOM 489 N LEU A 32 -2.388 -5.598 5.733 1.00 0.00 N ATOM 490 CA LEU A 32 -2.440 -4.368 6.577 1.00 0.00 C ATOM 491 C LEU A 32 -2.276 -4.749 8.048 1.00 0.00 C ATOM 492 O LEU A 32 -2.932 -5.639 8.549 1.00 0.00 O ATOM 493 CB LEU A 32 -3.783 -3.654 6.385 1.00 0.00 C ATOM 494 CG LEU A 32 -3.972 -3.266 4.913 1.00 0.00 C ATOM 495 CD1 LEU A 32 -5.325 -2.566 4.750 1.00 0.00 C ATOM 496 CD2 LEU A 32 -2.845 -2.317 4.464 1.00 0.00 C ATOM 0 H LEU A 32 -3.286 -6.054 5.573 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.633 -3.700 6.278 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.597 -4.304 6.705 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.822 -2.763 7.011 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.941 -4.165 4.297 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.467 -2.287 3.706 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.123 -3.242 5.057 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.349 -1.671 5.371 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.990 -2.049 3.418 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.864 -1.415 5.076 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.882 -2.815 4.581 1.00 0.00 H new ATOM 508 N LEU A 33 -1.399 -4.077 8.740 1.00 0.00 N ATOM 509 CA LEU A 33 -1.180 -4.388 10.179 1.00 0.00 C ATOM 510 C LEU A 33 -2.472 -4.116 10.952 1.00 0.00 C ATOM 511 O LEU A 33 -2.866 -4.877 11.815 1.00 0.00 O ATOM 512 CB LEU A 33 -0.062 -3.491 10.716 1.00 0.00 C ATOM 513 CG LEU A 33 1.270 -3.870 10.051 1.00 0.00 C ATOM 514 CD1 LEU A 33 2.330 -2.822 10.410 1.00 0.00 C ATOM 515 CD2 LEU A 33 1.734 -5.266 10.522 1.00 0.00 C ATOM 0 H LEU A 33 -0.822 -3.322 8.368 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.899 -5.434 10.298 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.294 -2.445 10.517 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.017 -3.599 11.798 1.00 0.00 H new ATOM 0 HG LEU A 33 1.131 -3.899 8.970 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.277 -3.087 9.940 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.009 -1.843 10.053 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.458 -2.790 11.492 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.679 -5.517 10.040 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.869 -5.259 11.604 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.982 -6.009 10.255 1.00 0.00 H new ATOM 527 N ASP A 34 -3.138 -3.036 10.641 1.00 0.00 N ATOM 528 CA ASP A 34 -4.415 -2.703 11.343 1.00 0.00 C ATOM 529 C ASP A 34 -5.398 -2.103 10.337 1.00 0.00 C ATOM 530 O ASP A 34 -5.063 -1.216 9.579 1.00 0.00 O ATOM 531 CB ASP A 34 -4.148 -1.696 12.462 1.00 0.00 C ATOM 532 CG ASP A 34 -5.445 -1.444 13.238 1.00 0.00 C ATOM 533 OD1 ASP A 34 -6.477 -1.930 12.802 1.00 0.00 O ATOM 534 OD2 ASP A 34 -5.382 -0.774 14.255 1.00 0.00 O ATOM 0 H ASP A 34 -2.852 -2.366 9.927 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.838 -3.610 11.776 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -3.378 -2.076 13.133 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -3.774 -0.762 12.044 1.00 0.00 H new ATOM 539 N LYS A 35 -6.608 -2.587 10.323 1.00 0.00 N ATOM 540 CA LYS A 35 -7.619 -2.058 9.364 1.00 0.00 C ATOM 541 C LYS A 35 -7.858 -0.571 9.652 1.00 0.00 C ATOM 542 O LYS A 35 -8.148 0.205 8.763 1.00 0.00 O ATOM 543 CB LYS A 35 -8.930 -2.846 9.516 1.00 0.00 C ATOM 544 CG LYS A 35 -8.858 -4.161 8.722 1.00 0.00 C ATOM 545 CD LYS A 35 -7.829 -5.101 9.358 1.00 0.00 C ATOM 546 CE LYS A 35 -7.857 -6.452 8.646 1.00 0.00 C ATOM 547 NZ LYS A 35 -6.853 -7.364 9.266 1.00 0.00 N ATOM 0 H LYS A 35 -6.942 -3.330 10.937 1.00 0.00 H new ATOM 0 HA LYS A 35 -7.256 -2.170 8.342 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -9.114 -3.059 10.569 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -9.767 -2.244 9.161 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -9.837 -4.639 8.704 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -8.585 -3.956 7.687 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -6.833 -4.664 9.291 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -8.048 -5.233 10.418 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -8.853 -6.890 8.714 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -7.639 -6.321 7.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.873 -8.284 8.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -5.904 -6.947 9.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -7.081 -7.499 10.272 1.00 0.00 H new ATOM 561 N LYS A 36 -7.733 -0.171 10.884 1.00 0.00 N ATOM 562 CA LYS A 36 -7.947 1.264 11.225 1.00 0.00 C ATOM 563 C LYS A 36 -6.954 2.115 10.429 1.00 0.00 C ATOM 564 O LYS A 36 -7.264 3.205 9.991 1.00 0.00 O ATOM 565 CB LYS A 36 -7.708 1.477 12.721 1.00 0.00 C ATOM 566 CG LYS A 36 -8.807 0.768 13.517 1.00 0.00 C ATOM 567 CD LYS A 36 -8.502 0.841 15.020 1.00 0.00 C ATOM 568 CE LYS A 36 -8.852 2.228 15.566 1.00 0.00 C ATOM 569 NZ LYS A 36 -8.750 2.211 17.052 1.00 0.00 N ATOM 0 H LYS A 36 -7.492 -0.774 11.671 1.00 0.00 H new ATOM 0 HA LYS A 36 -8.969 1.552 10.978 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.730 1.087 13.003 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -7.706 2.542 12.952 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -9.772 1.231 13.311 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -8.880 -0.273 13.203 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.072 0.079 15.551 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.447 0.629 15.195 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.176 2.976 15.152 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.861 2.507 15.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.987 3.152 17.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.412 1.508 17.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -7.779 1.962 17.331 1.00 0.00 H new ATOM 583 N ASP A 37 -5.763 1.622 10.238 1.00 0.00 N ATOM 584 CA ASP A 37 -4.748 2.394 9.469 1.00 0.00 C ATOM 585 C ASP A 37 -5.183 2.482 8.005 1.00 0.00 C ATOM 586 O ASP A 37 -4.594 3.189 7.212 1.00 0.00 O ATOM 587 CB ASP A 37 -3.394 1.690 9.562 1.00 0.00 C ATOM 588 CG ASP A 37 -2.840 1.844 10.979 1.00 0.00 C ATOM 589 OD1 ASP A 37 -3.352 2.681 11.705 1.00 0.00 O ATOM 590 OD2 ASP A 37 -1.917 1.123 11.315 1.00 0.00 O ATOM 0 H ASP A 37 -5.448 0.715 10.582 1.00 0.00 H new ATOM 0 HA ASP A 37 -4.660 3.398 9.883 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.503 0.634 9.315 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.699 2.117 8.839 1.00 0.00 H new ATOM 595 N GLU A 38 -6.212 1.770 7.639 1.00 0.00 N ATOM 596 CA GLU A 38 -6.686 1.815 6.226 1.00 0.00 C ATOM 597 C GLU A 38 -7.090 3.251 5.873 1.00 0.00 C ATOM 598 O GLU A 38 -6.801 3.744 4.801 1.00 0.00 O ATOM 599 CB GLU A 38 -7.902 0.898 6.071 1.00 0.00 C ATOM 600 CG GLU A 38 -8.341 0.860 4.605 1.00 0.00 C ATOM 601 CD GLU A 38 -9.573 -0.033 4.464 1.00 0.00 C ATOM 602 OE1 GLU A 38 -10.142 -0.388 5.484 1.00 0.00 O ATOM 603 OE2 GLU A 38 -9.928 -0.345 3.340 1.00 0.00 O ATOM 0 H GLU A 38 -6.746 1.159 8.257 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.888 1.483 5.562 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.656 -0.108 6.412 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.720 1.256 6.696 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.567 1.868 4.256 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.531 0.481 3.982 1.00 0.00 H new ATOM 610 N GLY A 39 -7.761 3.921 6.766 1.00 0.00 N ATOM 611 CA GLY A 39 -8.190 5.321 6.485 1.00 0.00 C ATOM 612 C GLY A 39 -6.960 6.230 6.395 1.00 0.00 C ATOM 613 O GLY A 39 -7.010 7.303 5.827 1.00 0.00 O ATOM 0 H GLY A 39 -8.032 3.560 7.681 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -8.751 5.359 5.551 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -8.857 5.672 7.272 1.00 0.00 H new ATOM 617 N LYS A 40 -5.859 5.816 6.958 1.00 0.00 N ATOM 618 CA LYS A 40 -4.632 6.663 6.914 1.00 0.00 C ATOM 619 C LYS A 40 -3.879 6.419 5.601 1.00 0.00 C ATOM 620 O LYS A 40 -2.849 7.014 5.346 1.00 0.00 O ATOM 621 CB LYS A 40 -3.734 6.295 8.092 1.00 0.00 C ATOM 622 CG LYS A 40 -4.442 6.646 9.397 1.00 0.00 C ATOM 623 CD LYS A 40 -3.544 6.274 10.579 1.00 0.00 C ATOM 624 CE LYS A 40 -4.234 6.653 11.891 1.00 0.00 C ATOM 625 NZ LYS A 40 -5.235 5.606 12.247 1.00 0.00 N ATOM 0 H LYS A 40 -5.755 4.927 7.447 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.911 7.715 6.974 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -3.500 5.231 8.067 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.787 6.831 8.023 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -4.673 7.711 9.423 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.390 6.112 9.464 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.332 5.205 10.564 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.587 6.790 10.498 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.496 6.751 12.687 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -4.725 7.621 11.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -5.704 5.863 13.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -5.945 5.533 11.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -4.755 4.691 12.360 1.00 0.00 H new ATOM 639 N LEU A 41 -4.385 5.556 4.764 1.00 0.00 N ATOM 640 CA LEU A 41 -3.700 5.281 3.469 1.00 0.00 C ATOM 641 C LEU A 41 -3.773 6.528 2.584 1.00 0.00 C ATOM 642 O LEU A 41 -4.721 7.287 2.649 1.00 0.00 O ATOM 643 CB LEU A 41 -4.398 4.114 2.759 1.00 0.00 C ATOM 644 CG LEU A 41 -4.043 2.774 3.434 1.00 0.00 C ATOM 645 CD1 LEU A 41 -5.055 1.706 3.006 1.00 0.00 C ATOM 646 CD2 LEU A 41 -2.637 2.313 3.010 1.00 0.00 C ATOM 0 H LEU A 41 -5.244 5.029 4.921 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.658 5.023 3.656 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.478 4.263 2.780 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.100 4.089 1.711 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.068 2.913 4.515 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.806 0.757 3.482 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.057 2.012 3.308 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.023 1.588 1.923 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.403 1.366 3.496 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.608 2.183 1.928 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.904 3.063 3.305 1.00 0.00 H new ATOM 658 N VAL A 42 -2.770 6.750 1.762 1.00 0.00 N ATOM 659 CA VAL A 42 -2.761 7.955 0.870 1.00 0.00 C ATOM 660 C VAL A 42 -2.526 7.518 -0.581 1.00 0.00 C ATOM 661 O VAL A 42 -1.697 6.675 -0.864 1.00 0.00 O ATOM 662 CB VAL A 42 -1.640 8.900 1.312 1.00 0.00 C ATOM 663 CG1 VAL A 42 -0.307 8.146 1.365 1.00 0.00 C ATOM 664 CG2 VAL A 42 -1.539 10.071 0.332 1.00 0.00 C ATOM 0 H VAL A 42 -1.954 6.144 1.672 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.720 8.469 0.938 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.867 9.283 2.307 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.484 8.827 1.680 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.382 7.323 2.076 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.073 7.751 0.376 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.741 10.742 0.648 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.320 9.692 -0.666 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.484 10.614 0.315 1.00 0.00 H new ATOM 674 N LYS A 43 -3.264 8.084 -1.504 1.00 0.00 N ATOM 675 CA LYS A 43 -3.106 7.718 -2.947 1.00 0.00 C ATOM 676 C LYS A 43 -2.284 8.786 -3.680 1.00 0.00 C ATOM 677 O LYS A 43 -2.474 9.970 -3.490 1.00 0.00 O ATOM 678 CB LYS A 43 -4.488 7.615 -3.590 1.00 0.00 C ATOM 679 CG LYS A 43 -4.347 7.150 -5.046 1.00 0.00 C ATOM 680 CD LYS A 43 -5.731 7.029 -5.697 1.00 0.00 C ATOM 681 CE LYS A 43 -6.444 5.760 -5.213 1.00 0.00 C ATOM 682 NZ LYS A 43 -7.626 5.504 -6.082 1.00 0.00 N ATOM 0 H LYS A 43 -3.976 8.791 -1.318 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.587 6.762 -3.018 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.108 6.913 -3.032 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.990 8.582 -3.554 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.735 7.858 -5.604 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.835 6.189 -5.081 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.331 7.906 -5.454 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.628 7.004 -6.782 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.762 4.910 -5.245 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.758 5.877 -4.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -8.085 4.617 -5.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -8.301 6.290 -5.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -7.318 5.426 -7.072 1.00 0.00 H new ATOM 696 N GLY A 44 -1.389 8.372 -4.537 1.00 0.00 N ATOM 697 CA GLY A 44 -0.568 9.351 -5.313 1.00 0.00 C ATOM 698 C GLY A 44 0.695 9.728 -4.535 1.00 0.00 C ATOM 699 O GLY A 44 1.679 10.156 -5.107 1.00 0.00 O ATOM 0 H GLY A 44 -1.189 7.392 -4.735 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.294 8.921 -6.277 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -1.156 10.245 -5.518 1.00 0.00 H new ATOM 703 N SER A 45 0.681 9.588 -3.239 1.00 0.00 N ATOM 704 CA SER A 45 1.887 9.954 -2.438 1.00 0.00 C ATOM 705 C SER A 45 2.836 8.760 -2.322 1.00 0.00 C ATOM 706 O SER A 45 2.576 7.673 -2.817 1.00 0.00 O ATOM 707 CB SER A 45 1.461 10.408 -1.045 1.00 0.00 C ATOM 708 OG SER A 45 0.402 11.348 -1.168 1.00 0.00 O ATOM 0 H SER A 45 -0.110 9.237 -2.699 1.00 0.00 H new ATOM 0 HA SER A 45 2.408 10.767 -2.943 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.138 9.552 -0.453 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.305 10.858 -0.521 1.00 0.00 H new ATOM 0 HG SER A 45 0.525 12.067 -0.514 1.00 0.00 H new ATOM 714 N MET A 46 3.948 8.966 -1.670 1.00 0.00 N ATOM 715 CA MET A 46 4.941 7.875 -1.502 1.00 0.00 C ATOM 716 C MET A 46 4.579 7.024 -0.282 1.00 0.00 C ATOM 717 O MET A 46 4.001 7.504 0.674 1.00 0.00 O ATOM 718 CB MET A 46 6.331 8.487 -1.313 1.00 0.00 C ATOM 719 CG MET A 46 6.628 9.473 -2.456 1.00 0.00 C ATOM 720 SD MET A 46 6.008 11.113 -2.011 1.00 0.00 S ATOM 721 CE MET A 46 7.470 11.662 -1.100 1.00 0.00 C ATOM 0 H MET A 46 4.210 9.854 -1.243 1.00 0.00 H new ATOM 0 HA MET A 46 4.938 7.240 -2.388 1.00 0.00 H new ATOM 0 HB2 MET A 46 6.384 9.002 -0.354 1.00 0.00 H new ATOM 0 HB3 MET A 46 7.085 7.700 -1.294 1.00 0.00 H new ATOM 0 HG2 MET A 46 7.701 9.516 -2.644 1.00 0.00 H new ATOM 0 HG3 MET A 46 6.156 9.131 -3.377 1.00 0.00 H new ATOM 0 HE1 MET A 46 7.307 12.673 -0.726 1.00 0.00 H new ATOM 0 HE2 MET A 46 7.650 10.989 -0.262 1.00 0.00 H new ATOM 0 HE3 MET A 46 8.335 11.656 -1.763 1.00 0.00 H new ATOM 731 N VAL A 47 4.916 5.759 -0.314 1.00 0.00 N ATOM 732 CA VAL A 47 4.603 4.850 0.833 1.00 0.00 C ATOM 733 C VAL A 47 5.843 4.020 1.168 1.00 0.00 C ATOM 734 O VAL A 47 6.776 3.948 0.390 1.00 0.00 O ATOM 735 CB VAL A 47 3.460 3.916 0.439 1.00 0.00 C ATOM 736 CG1 VAL A 47 2.205 4.738 0.132 1.00 0.00 C ATOM 737 CG2 VAL A 47 3.869 3.121 -0.802 1.00 0.00 C ATOM 0 H VAL A 47 5.399 5.312 -1.093 1.00 0.00 H new ATOM 0 HA VAL A 47 4.310 5.440 1.702 1.00 0.00 H new ATOM 0 HB VAL A 47 3.247 3.232 1.260 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.392 4.069 -0.149 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.918 5.308 1.016 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.411 5.423 -0.690 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.058 2.452 -1.089 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.080 3.808 -1.621 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.761 2.535 -0.581 1.00 0.00 H new ATOM 747 N HIS A 48 5.863 3.396 2.322 1.00 0.00 N ATOM 748 CA HIS A 48 7.041 2.563 2.729 1.00 0.00 C ATOM 749 C HIS A 48 6.572 1.144 3.060 1.00 0.00 C ATOM 750 O HIS A 48 5.574 0.946 3.724 1.00 0.00 O ATOM 751 CB HIS A 48 7.694 3.183 3.964 1.00 0.00 C ATOM 752 CG HIS A 48 8.949 2.423 4.296 1.00 0.00 C ATOM 753 ND1 HIS A 48 10.075 2.472 3.491 1.00 0.00 N ATOM 754 CD2 HIS A 48 9.269 1.589 5.338 1.00 0.00 C ATOM 755 CE1 HIS A 48 11.011 1.686 4.053 1.00 0.00 C ATOM 756 NE2 HIS A 48 10.571 1.124 5.182 1.00 0.00 N ATOM 0 H HIS A 48 5.107 3.428 3.006 1.00 0.00 H new ATOM 0 HA HIS A 48 7.762 2.526 1.913 1.00 0.00 H new ATOM 0 HB2 HIS A 48 7.928 4.231 3.778 1.00 0.00 H new ATOM 0 HB3 HIS A 48 7.004 3.155 4.807 1.00 0.00 H new ATOM 0 HD2 HIS A 48 8.610 1.333 6.155 1.00 0.00 H new ATOM 0 HE1 HIS A 48 11.997 1.529 3.642 1.00 0.00 H new ATOM 0 HE2 HIS A 48 11.080 0.490 5.798 1.00 0.00 H new ATOM 764 N PHE A 49 7.289 0.152 2.600 1.00 0.00 N ATOM 765 CA PHE A 49 6.896 -1.262 2.879 1.00 0.00 C ATOM 766 C PHE A 49 8.157 -2.122 2.999 1.00 0.00 C ATOM 767 O PHE A 49 9.206 -1.771 2.497 1.00 0.00 O ATOM 768 CB PHE A 49 6.017 -1.781 1.738 1.00 0.00 C ATOM 769 CG PHE A 49 6.770 -1.690 0.433 1.00 0.00 C ATOM 770 CD1 PHE A 49 7.614 -2.733 0.034 1.00 0.00 C ATOM 771 CD2 PHE A 49 6.620 -0.560 -0.381 1.00 0.00 C ATOM 772 CE1 PHE A 49 8.310 -2.646 -1.179 1.00 0.00 C ATOM 773 CE2 PHE A 49 7.315 -0.473 -1.593 1.00 0.00 C ATOM 774 CZ PHE A 49 8.159 -1.517 -1.992 1.00 0.00 C ATOM 0 H PHE A 49 8.135 0.261 2.040 1.00 0.00 H new ATOM 0 HA PHE A 49 6.336 -1.312 3.813 1.00 0.00 H new ATOM 0 HB2 PHE A 49 5.727 -2.814 1.930 1.00 0.00 H new ATOM 0 HB3 PHE A 49 5.098 -1.198 1.680 1.00 0.00 H new ATOM 0 HD1 PHE A 49 7.729 -3.605 0.661 1.00 0.00 H new ATOM 0 HD2 PHE A 49 5.968 0.244 -0.074 1.00 0.00 H new ATOM 0 HE1 PHE A 49 8.963 -3.450 -1.486 1.00 0.00 H new ATOM 0 HE2 PHE A 49 7.200 0.399 -2.220 1.00 0.00 H new ATOM 0 HZ PHE A 49 8.694 -1.451 -2.928 1.00 0.00 H new ATOM 784 N ASP A 50 8.068 -3.244 3.668 1.00 0.00 N ATOM 785 CA ASP A 50 9.271 -4.121 3.830 1.00 0.00 C ATOM 786 C ASP A 50 9.279 -5.185 2.716 1.00 0.00 C ATOM 787 O ASP A 50 8.242 -5.548 2.196 1.00 0.00 O ATOM 788 CB ASP A 50 9.207 -4.806 5.208 1.00 0.00 C ATOM 789 CG ASP A 50 9.811 -3.888 6.278 1.00 0.00 C ATOM 790 OD1 ASP A 50 10.004 -2.718 5.986 1.00 0.00 O ATOM 791 OD2 ASP A 50 10.070 -4.370 7.367 1.00 0.00 O ATOM 0 H ASP A 50 7.216 -3.591 4.109 1.00 0.00 H new ATOM 0 HA ASP A 50 10.181 -3.525 3.761 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.173 -5.040 5.459 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.750 -5.751 5.179 1.00 0.00 H new ATOM 796 N PRO A 51 10.440 -5.679 2.349 1.00 0.00 N ATOM 797 CA PRO A 51 10.574 -6.714 1.277 1.00 0.00 C ATOM 798 C PRO A 51 9.961 -8.061 1.685 1.00 0.00 C ATOM 799 O PRO A 51 10.063 -8.484 2.819 1.00 0.00 O ATOM 800 CB PRO A 51 12.097 -6.837 1.081 1.00 0.00 C ATOM 801 CG PRO A 51 12.682 -6.407 2.386 1.00 0.00 C ATOM 802 CD PRO A 51 11.752 -5.315 2.914 1.00 0.00 C ATOM 0 HA PRO A 51 10.043 -6.432 0.368 1.00 0.00 H new ATOM 0 HB2 PRO A 51 12.384 -7.860 0.836 1.00 0.00 H new ATOM 0 HB3 PRO A 51 12.444 -6.204 0.264 1.00 0.00 H new ATOM 0 HG2 PRO A 51 12.741 -7.243 3.083 1.00 0.00 H new ATOM 0 HG3 PRO A 51 13.696 -6.029 2.255 1.00 0.00 H new ATOM 0 HD2 PRO A 51 11.729 -5.299 4.004 1.00 0.00 H new ATOM 0 HD3 PRO A 51 12.069 -4.325 2.587 1.00 0.00 H new ATOM 810 N THR A 52 9.336 -8.738 0.759 1.00 0.00 N ATOM 811 CA THR A 52 8.727 -10.061 1.074 1.00 0.00 C ATOM 812 C THR A 52 8.648 -10.899 -0.210 1.00 0.00 C ATOM 813 O THR A 52 7.658 -10.862 -0.911 1.00 0.00 O ATOM 814 CB THR A 52 7.311 -9.852 1.631 1.00 0.00 C ATOM 815 OG1 THR A 52 6.656 -8.841 0.880 1.00 0.00 O ATOM 816 CG2 THR A 52 7.376 -9.428 3.099 1.00 0.00 C ATOM 0 H THR A 52 9.221 -8.429 -0.206 1.00 0.00 H new ATOM 0 HA THR A 52 9.337 -10.578 1.815 1.00 0.00 H new ATOM 0 HB THR A 52 6.759 -10.789 1.556 1.00 0.00 H new ATOM 0 HG1 THR A 52 6.834 -8.975 -0.074 1.00 0.00 H new ATOM 0 HG21 THR A 52 6.365 -9.283 3.481 1.00 0.00 H new ATOM 0 HG22 THR A 52 7.876 -10.203 3.680 1.00 0.00 H new ATOM 0 HG23 THR A 52 7.933 -8.495 3.184 1.00 0.00 H new ATOM 895 N LEU A 58 6.373 -11.492 -5.503 1.00 0.00 N ATOM 896 CA LEU A 58 6.264 -10.078 -5.017 1.00 0.00 C ATOM 897 C LEU A 58 5.168 -9.970 -3.949 1.00 0.00 C ATOM 898 O LEU A 58 4.066 -10.455 -4.121 1.00 0.00 O ATOM 899 CB LEU A 58 5.910 -9.172 -6.198 1.00 0.00 C ATOM 900 CG LEU A 58 6.964 -9.322 -7.303 1.00 0.00 C ATOM 901 CD1 LEU A 58 6.573 -8.441 -8.495 1.00 0.00 C ATOM 902 CD2 LEU A 58 8.348 -8.896 -6.778 1.00 0.00 C ATOM 0 HA LEU A 58 7.215 -9.772 -4.581 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.925 -9.432 -6.585 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.860 -8.134 -5.869 1.00 0.00 H new ATOM 0 HG LEU A 58 7.012 -10.365 -7.615 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.319 -8.544 -9.283 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.599 -8.752 -8.874 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.523 -7.400 -8.177 1.00 0.00 H new ATOM 0 HD21 LEU A 58 9.088 -9.007 -7.571 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.311 -7.854 -6.459 1.00 0.00 H new ATOM 0 HD23 LEU A 58 8.626 -9.525 -5.932 1.00 0.00 H new ATOM 914 N ALA A 59 5.461 -9.326 -2.846 1.00 0.00 N ATOM 915 CA ALA A 59 4.440 -9.172 -1.767 1.00 0.00 C ATOM 916 C ALA A 59 4.741 -7.913 -0.953 1.00 0.00 C ATOM 917 O ALA A 59 5.869 -7.465 -0.874 1.00 0.00 O ATOM 918 CB ALA A 59 4.471 -10.390 -0.839 1.00 0.00 C ATOM 0 H ALA A 59 6.366 -8.900 -2.647 1.00 0.00 H new ATOM 0 HA ALA A 59 3.453 -9.090 -2.223 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.723 -10.269 -0.055 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.253 -11.290 -1.413 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.459 -10.478 -0.387 1.00 0.00 H new ATOM 924 N ALA A 60 3.737 -7.336 -0.347 1.00 0.00 N ATOM 925 CA ALA A 60 3.945 -6.102 0.471 1.00 0.00 C ATOM 926 C ALA A 60 4.008 -6.478 1.956 1.00 0.00 C ATOM 927 O ALA A 60 5.068 -6.643 2.525 1.00 0.00 O ATOM 928 CB ALA A 60 2.766 -5.155 0.244 1.00 0.00 C ATOM 0 H ALA A 60 2.773 -7.669 -0.383 1.00 0.00 H new ATOM 0 HA ALA A 60 4.877 -5.618 0.178 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.907 -4.251 0.836 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.709 -4.892 -0.812 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.841 -5.646 0.546 1.00 0.00 H new ATOM 934 N LYS A 61 2.872 -6.621 2.578 1.00 0.00 N ATOM 935 CA LYS A 61 2.836 -6.993 4.024 1.00 0.00 C ATOM 936 C LYS A 61 3.552 -5.934 4.870 1.00 0.00 C ATOM 937 O LYS A 61 4.535 -5.351 4.459 1.00 0.00 O ATOM 938 CB LYS A 61 3.512 -8.356 4.223 1.00 0.00 C ATOM 939 CG LYS A 61 3.081 -8.959 5.565 1.00 0.00 C ATOM 940 CD LYS A 61 3.626 -10.382 5.689 1.00 0.00 C ATOM 941 CE LYS A 61 3.110 -11.011 6.984 1.00 0.00 C ATOM 942 NZ LYS A 61 3.696 -10.297 8.153 1.00 0.00 N ATOM 0 H LYS A 61 1.957 -6.495 2.145 1.00 0.00 H new ATOM 0 HA LYS A 61 1.796 -7.051 4.344 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.242 -9.028 3.409 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.596 -8.242 4.196 1.00 0.00 H new ATOM 0 HG2 LYS A 61 3.451 -8.345 6.386 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.993 -8.968 5.638 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.314 -10.979 4.832 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.716 -10.368 5.688 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.022 -10.956 7.019 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.377 -12.067 7.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.558 -10.866 9.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.713 -10.150 7.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.227 -9.376 8.268 1.00 0.00 H new ATOM 956 N ALA A 62 3.059 -5.691 6.055 1.00 0.00 N ATOM 957 CA ALA A 62 3.694 -4.679 6.948 1.00 0.00 C ATOM 958 C ALA A 62 3.839 -3.346 6.209 1.00 0.00 C ATOM 959 O ALA A 62 4.851 -2.679 6.300 1.00 0.00 O ATOM 960 CB ALA A 62 5.075 -5.171 7.382 1.00 0.00 C ATOM 0 H ALA A 62 2.238 -6.154 6.445 1.00 0.00 H new ATOM 0 HA ALA A 62 3.064 -4.536 7.826 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.537 -4.430 8.034 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.973 -6.114 7.919 1.00 0.00 H new ATOM 0 HB3 ALA A 62 5.701 -5.320 6.502 1.00 0.00 H new ATOM 966 N ILE A 63 2.829 -2.944 5.490 1.00 0.00 N ATOM 967 CA ILE A 63 2.902 -1.649 4.762 1.00 0.00 C ATOM 968 C ILE A 63 2.862 -0.507 5.773 1.00 0.00 C ATOM 969 O ILE A 63 2.136 -0.558 6.747 1.00 0.00 O ATOM 970 CB ILE A 63 1.718 -1.524 3.800 1.00 0.00 C ATOM 971 CG1 ILE A 63 1.842 -2.585 2.706 1.00 0.00 C ATOM 972 CG2 ILE A 63 1.716 -0.131 3.163 1.00 0.00 C ATOM 973 CD1 ILE A 63 0.546 -2.644 1.896 1.00 0.00 C ATOM 0 H ILE A 63 1.955 -3.458 5.375 1.00 0.00 H new ATOM 0 HA ILE A 63 3.829 -1.605 4.190 1.00 0.00 H new ATOM 0 HB ILE A 63 0.787 -1.670 4.348 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.681 -2.350 2.051 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.048 -3.558 3.151 1.00 0.00 H new ATOM 0 HG21 ILE A 63 0.872 -0.045 2.479 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.629 0.626 3.943 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.645 0.019 2.614 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.638 -3.401 1.117 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.284 -2.900 2.555 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.359 -1.673 1.438 1.00 0.00 H new ATOM 985 N SER A 64 3.642 0.523 5.553 1.00 0.00 N ATOM 986 CA SER A 64 3.668 1.683 6.497 1.00 0.00 C ATOM 987 C SER A 64 3.289 2.953 5.742 1.00 0.00 C ATOM 988 O SER A 64 3.473 3.059 4.546 1.00 0.00 O ATOM 989 CB SER A 64 5.072 1.836 7.079 1.00 0.00 C ATOM 990 OG SER A 64 5.330 0.762 7.974 1.00 0.00 O ATOM 0 H SER A 64 4.268 0.610 4.752 1.00 0.00 H new ATOM 0 HA SER A 64 2.958 1.512 7.306 1.00 0.00 H new ATOM 0 HB2 SER A 64 5.811 1.842 6.278 1.00 0.00 H new ATOM 0 HB3 SER A 64 5.160 2.789 7.601 1.00 0.00 H new ATOM 0 HG SER A 64 6.231 0.857 8.348 1.00 0.00 H new ATOM 996 N LEU A 65 2.746 3.913 6.442 1.00 0.00 N ATOM 997 CA LEU A 65 2.323 5.193 5.800 1.00 0.00 C ATOM 998 C LEU A 65 2.832 6.366 6.654 1.00 0.00 C ATOM 999 O LEU A 65 2.103 6.905 7.462 1.00 0.00 O ATOM 1000 CB LEU A 65 0.775 5.240 5.702 1.00 0.00 C ATOM 1001 CG LEU A 65 0.134 4.332 6.762 1.00 0.00 C ATOM 1002 CD1 LEU A 65 0.456 4.856 8.162 1.00 0.00 C ATOM 1003 CD2 LEU A 65 -1.381 4.332 6.575 1.00 0.00 C ATOM 0 H LEU A 65 2.575 3.864 7.446 1.00 0.00 H new ATOM 0 HA LEU A 65 2.740 5.263 4.796 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.428 6.265 5.837 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.459 4.925 4.707 1.00 0.00 H new ATOM 0 HG LEU A 65 0.528 3.322 6.651 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.002 4.207 8.908 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.536 4.868 8.306 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.064 5.867 8.271 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.840 3.689 7.325 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.761 5.347 6.686 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.625 3.960 5.580 1.00 0.00 H new ATOM 1015 N PRO A 66 4.071 6.763 6.485 1.00 0.00 N ATOM 1016 CA PRO A 66 4.652 7.887 7.269 1.00 0.00 C ATOM 1017 C PRO A 66 4.190 9.238 6.722 1.00 0.00 C ATOM 1018 O PRO A 66 4.565 10.286 7.211 1.00 0.00 O ATOM 1019 CB PRO A 66 6.164 7.701 7.099 1.00 0.00 C ATOM 1020 CG PRO A 66 6.323 7.040 5.765 1.00 0.00 C ATOM 1021 CD PRO A 66 5.056 6.199 5.535 1.00 0.00 C ATOM 0 HA PRO A 66 4.343 7.880 8.314 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.686 8.657 7.131 1.00 0.00 H new ATOM 0 HB3 PRO A 66 6.579 7.085 7.897 1.00 0.00 H new ATOM 0 HG2 PRO A 66 6.443 7.783 4.977 1.00 0.00 H new ATOM 0 HG3 PRO A 66 7.213 6.411 5.748 1.00 0.00 H new ATOM 0 HD2 PRO A 66 4.707 6.277 4.505 1.00 0.00 H new ATOM 0 HD3 PRO A 66 5.238 5.142 5.730 1.00 0.00 H new