USER MOD reduce.3.24.130724 H: found=0, std=0, add=532, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 555 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 150:sc= -2.14! USER MOD Single : A 34 HIS : no HD1:sc= -28.3! C(o=-28!,f=-29!) USER MOD Single : A 37 THR OG1 : rot -80:sc= -1.41! USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0138) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc=-0.00263 X(o=-0.0026,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 147:sc= -0.494 (180deg=-2.06!) USER MOD Single : A 78 CYS SG : rot 61:sc= -0.741 USER MOD Single : A 88 SER OG : rot -164:sc= -2! USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 16 1.367 0.580 -1.257 1.00 0.00 N ATOM 2 CA SER A 16 1.503 -0.741 -0.666 1.00 0.00 C ATOM 3 C SER A 16 1.245 -1.816 -1.723 1.00 0.00 C ATOM 4 O SER A 16 1.311 -3.009 -1.430 1.00 0.00 O ATOM 5 CB SER A 16 0.545 -0.917 0.515 1.00 0.00 C ATOM 6 OG SER A 16 1.061 -0.338 1.711 1.00 0.00 O ATOM 0 HA SER A 16 2.521 -0.845 -0.292 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.415 -0.459 0.275 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.360 -1.979 0.677 1.00 0.00 H new ATOM 0 HG SER A 16 0.420 -0.469 2.441 1.00 0.00 H new ATOM 12 N GLU A 17 0.955 -1.356 -2.931 1.00 0.00 N ATOM 13 CA GLU A 17 0.687 -2.263 -4.034 1.00 0.00 C ATOM 14 C GLU A 17 1.916 -2.379 -4.938 1.00 0.00 C ATOM 15 O GLU A 17 1.982 -3.261 -5.792 1.00 0.00 O ATOM 16 CB GLU A 17 -0.539 -1.811 -4.830 1.00 0.00 C ATOM 17 CG GLU A 17 -1.733 -1.565 -3.906 1.00 0.00 C ATOM 18 CD GLU A 17 -2.312 -2.886 -3.394 1.00 0.00 C ATOM 19 OE1 GLU A 17 -1.778 -3.467 -2.438 1.00 0.00 O ATOM 20 OE2 GLU A 17 -3.355 -3.305 -4.026 1.00 0.00 O ATOM 0 H GLU A 17 0.900 -0.366 -3.170 1.00 0.00 H new ATOM 0 HA GLU A 17 0.469 -3.249 -3.623 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.305 -0.898 -5.378 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.797 -2.569 -5.569 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.423 -0.948 -3.062 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.503 -1.009 -4.441 1.00 0.00 H new ATOM 28 N ALA A 18 2.859 -1.474 -4.718 1.00 0.00 N ATOM 29 CA ALA A 18 4.082 -1.463 -5.502 1.00 0.00 C ATOM 30 C ALA A 18 4.756 -2.834 -5.407 1.00 0.00 C ATOM 31 O ALA A 18 5.094 -3.435 -6.426 1.00 0.00 O ATOM 32 CB ALA A 18 4.991 -0.332 -5.016 1.00 0.00 C ATOM 0 H ALA A 18 2.800 -0.744 -4.008 1.00 0.00 H new ATOM 0 HA ALA A 18 3.862 -1.275 -6.553 1.00 0.00 H new ATOM 0 HB1 ALA A 18 5.908 -0.324 -5.605 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.478 0.623 -5.132 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.235 -0.488 -3.965 1.00 0.00 H new ATOM 38 N VAL A 19 4.932 -3.287 -4.175 1.00 0.00 N ATOM 39 CA VAL A 19 5.559 -4.575 -3.934 1.00 0.00 C ATOM 40 C VAL A 19 4.784 -5.663 -4.681 1.00 0.00 C ATOM 41 O VAL A 19 5.369 -6.443 -5.431 1.00 0.00 O ATOM 42 CB VAL A 19 5.656 -4.837 -2.429 1.00 0.00 C ATOM 43 CG1 VAL A 19 6.061 -3.567 -1.677 1.00 0.00 C ATOM 44 CG2 VAL A 19 4.342 -5.400 -1.885 1.00 0.00 C ATOM 0 H VAL A 19 4.651 -2.785 -3.333 1.00 0.00 H new ATOM 0 HA VAL A 19 6.579 -4.580 -4.318 1.00 0.00 H new ATOM 0 HB VAL A 19 6.433 -5.584 -2.268 1.00 0.00 H new ATOM 0 HG11 VAL A 19 6.123 -3.780 -0.610 1.00 0.00 H new ATOM 0 HG12 VAL A 19 7.032 -3.226 -2.036 1.00 0.00 H new ATOM 0 HG13 VAL A 19 5.317 -2.789 -1.849 1.00 0.00 H new ATOM 0 HG21 VAL A 19 4.438 -5.577 -0.814 1.00 0.00 H new ATOM 0 HG22 VAL A 19 3.538 -4.686 -2.064 1.00 0.00 H new ATOM 0 HG23 VAL A 19 4.112 -6.339 -2.389 1.00 0.00 H new ATOM 54 N TYR A 20 3.480 -5.680 -4.450 1.00 0.00 N ATOM 55 CA TYR A 20 2.619 -6.659 -5.091 1.00 0.00 C ATOM 56 C TYR A 20 2.851 -6.685 -6.604 1.00 0.00 C ATOM 57 O TYR A 20 2.877 -7.754 -7.213 1.00 0.00 O ATOM 58 CB TYR A 20 1.184 -6.205 -4.815 1.00 0.00 C ATOM 59 CG TYR A 20 0.560 -6.837 -3.570 1.00 0.00 C ATOM 60 CD1 TYR A 20 1.366 -7.434 -2.621 1.00 0.00 C ATOM 61 CD2 TYR A 20 -0.808 -6.810 -3.394 1.00 0.00 C ATOM 62 CE1 TYR A 20 0.779 -8.029 -1.449 1.00 0.00 C ATOM 63 CE2 TYR A 20 -1.396 -7.405 -2.222 1.00 0.00 C ATOM 64 CZ TYR A 20 -0.573 -7.985 -1.307 1.00 0.00 C ATOM 65 OH TYR A 20 -1.128 -8.547 -0.200 1.00 0.00 O ATOM 0 H TYR A 20 2.998 -5.031 -3.828 1.00 0.00 H new ATOM 0 HA TYR A 20 2.822 -7.659 -4.707 1.00 0.00 H new ATOM 0 HB2 TYR A 20 1.172 -5.121 -4.704 1.00 0.00 H new ATOM 0 HB3 TYR A 20 0.565 -6.444 -5.680 1.00 0.00 H new ATOM 0 HD1 TYR A 20 2.437 -7.455 -2.758 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -1.438 -6.342 -4.136 1.00 0.00 H new ATOM 0 HE1 TYR A 20 1.398 -8.500 -0.700 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -2.466 -7.391 -2.073 1.00 0.00 H new ATOM 0 HH TYR A 20 -2.102 -8.440 -0.232 1.00 0.00 H new ATOM 75 N ILE A 21 3.013 -5.496 -7.166 1.00 0.00 N ATOM 76 CA ILE A 21 3.242 -5.370 -8.595 1.00 0.00 C ATOM 77 C ILE A 21 4.528 -6.109 -8.969 1.00 0.00 C ATOM 78 O ILE A 21 4.551 -6.872 -9.934 1.00 0.00 O ATOM 79 CB ILE A 21 3.237 -3.897 -9.010 1.00 0.00 C ATOM 80 CG1 ILE A 21 1.917 -3.523 -9.688 1.00 0.00 C ATOM 81 CG2 ILE A 21 4.445 -3.571 -9.890 1.00 0.00 C ATOM 82 CD1 ILE A 21 1.756 -4.260 -11.019 1.00 0.00 C ATOM 0 H ILE A 21 2.990 -4.612 -6.658 1.00 0.00 H new ATOM 0 HA ILE A 21 2.431 -5.838 -9.153 1.00 0.00 H new ATOM 0 HB ILE A 21 3.321 -3.288 -8.110 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.084 -3.768 -9.029 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.883 -2.447 -9.858 1.00 0.00 H new ATOM 0 HG21 ILE A 21 4.417 -2.518 -10.171 1.00 0.00 H new ATOM 0 HG22 ILE A 21 5.363 -3.775 -9.338 1.00 0.00 H new ATOM 0 HG23 ILE A 21 4.417 -4.187 -10.789 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.810 -3.976 -11.480 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.578 -3.994 -11.684 1.00 0.00 H new ATOM 0 HD13 ILE A 21 1.766 -5.336 -10.843 1.00 0.00 H new ATOM 94 N ALA A 22 5.566 -5.858 -8.185 1.00 0.00 N ATOM 95 CA ALA A 22 6.853 -6.491 -8.422 1.00 0.00 C ATOM 96 C ALA A 22 6.697 -8.009 -8.313 1.00 0.00 C ATOM 97 O ALA A 22 7.034 -8.740 -9.244 1.00 0.00 O ATOM 98 CB ALA A 22 7.883 -5.938 -7.435 1.00 0.00 C ATOM 0 H ALA A 22 5.542 -5.225 -7.385 1.00 0.00 H new ATOM 0 HA ALA A 22 7.212 -6.268 -9.427 1.00 0.00 H new ATOM 0 HB1 ALA A 22 8.848 -6.412 -7.612 1.00 0.00 H new ATOM 0 HB2 ALA A 22 7.977 -4.861 -7.573 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.558 -6.146 -6.416 1.00 0.00 H new ATOM 104 N ILE A 23 6.187 -8.439 -7.168 1.00 0.00 N ATOM 105 CA ILE A 23 5.983 -9.857 -6.925 1.00 0.00 C ATOM 106 C ILE A 23 4.907 -10.383 -7.877 1.00 0.00 C ATOM 107 O ILE A 23 4.726 -11.593 -8.008 1.00 0.00 O ATOM 108 CB ILE A 23 5.674 -10.109 -5.448 1.00 0.00 C ATOM 109 CG1 ILE A 23 5.034 -11.484 -5.249 1.00 0.00 C ATOM 110 CG2 ILE A 23 4.811 -8.986 -4.869 1.00 0.00 C ATOM 111 CD1 ILE A 23 3.507 -11.389 -5.287 1.00 0.00 C ATOM 0 H ILE A 23 5.909 -7.830 -6.398 1.00 0.00 H new ATOM 0 HA ILE A 23 6.896 -10.415 -7.135 1.00 0.00 H new ATOM 0 HB ILE A 23 6.615 -10.109 -4.897 1.00 0.00 H new ATOM 0 HG12 ILE A 23 5.379 -12.166 -6.027 1.00 0.00 H new ATOM 0 HG13 ILE A 23 5.352 -11.902 -4.294 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.606 -9.190 -3.818 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.340 -8.037 -4.958 1.00 0.00 H new ATOM 0 HG23 ILE A 23 3.871 -8.930 -5.418 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.077 -12.380 -5.143 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.164 -10.726 -4.493 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.191 -10.993 -6.252 1.00 0.00 H new ATOM 123 N GLU A 24 4.220 -9.449 -8.517 1.00 0.00 N ATOM 124 CA GLU A 24 3.166 -9.803 -9.453 1.00 0.00 C ATOM 125 C GLU A 24 3.717 -9.847 -10.880 1.00 0.00 C ATOM 126 O GLU A 24 3.163 -10.528 -11.742 1.00 0.00 O ATOM 127 CB GLU A 24 1.990 -8.830 -9.349 1.00 0.00 C ATOM 128 CG GLU A 24 1.016 -9.021 -10.513 1.00 0.00 C ATOM 129 CD GLU A 24 0.424 -10.432 -10.507 1.00 0.00 C ATOM 130 OE1 GLU A 24 -0.405 -10.754 -9.643 1.00 0.00 O ATOM 131 OE2 GLU A 24 0.855 -11.208 -11.444 1.00 0.00 O ATOM 0 H GLU A 24 4.372 -8.447 -8.406 1.00 0.00 H new ATOM 0 HA GLU A 24 2.797 -10.796 -9.196 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.468 -8.984 -8.404 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.361 -7.805 -9.345 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.214 -8.286 -10.445 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.532 -8.843 -11.457 1.00 0.00 H new ATOM 139 N ALA A 25 4.800 -9.112 -11.086 1.00 0.00 N ATOM 140 CA ALA A 25 5.431 -9.058 -12.393 1.00 0.00 C ATOM 141 C ALA A 25 5.702 -10.482 -12.882 1.00 0.00 C ATOM 142 O ALA A 25 5.767 -10.727 -14.086 1.00 0.00 O ATOM 143 CB ALA A 25 6.706 -8.217 -12.311 1.00 0.00 C ATOM 0 H ALA A 25 5.257 -8.549 -10.369 1.00 0.00 H new ATOM 0 HA ALA A 25 4.772 -8.580 -13.118 1.00 0.00 H new ATOM 0 HB1 ALA A 25 7.179 -8.177 -13.292 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.455 -7.207 -11.987 1.00 0.00 H new ATOM 0 HB3 ALA A 25 7.393 -8.667 -11.595 1.00 0.00 H new ATOM 149 N GLY A 26 5.854 -11.384 -11.924 1.00 0.00 N ATOM 150 CA GLY A 26 6.117 -12.778 -12.242 1.00 0.00 C ATOM 151 C GLY A 26 7.285 -13.318 -11.415 1.00 0.00 C ATOM 152 O GLY A 26 8.234 -13.876 -11.964 1.00 0.00 O ATOM 0 H GLY A 26 5.800 -11.177 -10.927 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.224 -13.373 -12.049 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.343 -12.876 -13.304 1.00 0.00 H new ATOM 156 N THR A 27 7.178 -13.133 -10.107 1.00 0.00 N ATOM 157 CA THR A 27 8.214 -13.595 -9.199 1.00 0.00 C ATOM 158 C THR A 27 7.869 -14.984 -8.659 1.00 0.00 C ATOM 159 O THR A 27 8.709 -15.882 -8.664 1.00 0.00 O ATOM 160 CB THR A 27 8.386 -12.541 -8.103 1.00 0.00 C ATOM 161 OG1 THR A 27 9.213 -11.548 -8.702 1.00 0.00 O ATOM 162 CG2 THR A 27 9.213 -13.054 -6.922 1.00 0.00 C ATOM 0 H THR A 27 6.390 -12.670 -9.655 1.00 0.00 H new ATOM 0 HA THR A 27 9.169 -13.709 -9.712 1.00 0.00 H new ATOM 0 HB THR A 27 7.406 -12.223 -7.748 1.00 0.00 H new ATOM 0 HG1 THR A 27 9.002 -10.671 -8.318 1.00 0.00 H new ATOM 0 HG21 THR A 27 9.305 -12.267 -6.173 1.00 0.00 H new ATOM 0 HG22 THR A 27 8.719 -13.920 -6.481 1.00 0.00 H new ATOM 0 HG23 THR A 27 10.205 -13.341 -7.270 1.00 0.00 H new ATOM 170 N LEU A 28 6.631 -15.116 -8.205 1.00 0.00 N ATOM 171 CA LEU A 28 6.164 -16.381 -7.662 1.00 0.00 C ATOM 172 C LEU A 28 4.945 -16.853 -8.457 1.00 0.00 C ATOM 173 O LEU A 28 4.458 -16.142 -9.334 1.00 0.00 O ATOM 174 CB LEU A 28 5.908 -16.256 -6.159 1.00 0.00 C ATOM 175 CG LEU A 28 5.552 -14.857 -5.653 1.00 0.00 C ATOM 176 CD1 LEU A 28 4.667 -14.934 -4.407 1.00 0.00 C ATOM 177 CD2 LEU A 28 6.813 -14.025 -5.409 1.00 0.00 C ATOM 0 H LEU A 28 5.937 -14.368 -8.202 1.00 0.00 H new ATOM 0 HA LEU A 28 6.931 -17.148 -7.769 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.098 -16.935 -5.891 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.798 -16.597 -5.630 1.00 0.00 H new ATOM 0 HG LEU A 28 4.976 -14.350 -6.427 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.428 -13.926 -4.067 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.745 -15.464 -4.648 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.196 -15.467 -3.617 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.532 -13.035 -5.050 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.436 -14.518 -4.663 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.371 -13.928 -6.340 1.00 0.00 H new ATOM 189 N ALA A 29 4.487 -18.050 -8.121 1.00 0.00 N ATOM 190 CA ALA A 29 3.333 -18.625 -8.792 1.00 0.00 C ATOM 191 C ALA A 29 2.312 -19.075 -7.745 1.00 0.00 C ATOM 192 O ALA A 29 2.677 -19.403 -6.617 1.00 0.00 O ATOM 193 CB ALA A 29 3.788 -19.774 -9.694 1.00 0.00 C ATOM 0 H ALA A 29 4.894 -18.637 -7.393 1.00 0.00 H new ATOM 0 HA ALA A 29 2.849 -17.883 -9.427 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.923 -20.206 -10.198 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.490 -19.397 -10.438 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.276 -20.539 -9.090 1.00 0.00 H new ATOM 199 N GLU A 30 1.053 -19.077 -8.157 1.00 0.00 N ATOM 200 CA GLU A 30 -0.024 -19.482 -7.269 1.00 0.00 C ATOM 201 C GLU A 30 -1.134 -20.175 -8.062 1.00 0.00 C ATOM 202 O GLU A 30 -1.473 -19.748 -9.165 1.00 0.00 O ATOM 203 CB GLU A 30 -0.572 -18.284 -6.490 1.00 0.00 C ATOM 204 CG GLU A 30 -0.717 -17.061 -7.397 1.00 0.00 C ATOM 205 CD GLU A 30 0.649 -16.447 -7.712 1.00 0.00 C ATOM 206 OE1 GLU A 30 1.468 -16.256 -6.801 1.00 0.00 O ATOM 207 OE2 GLU A 30 0.846 -16.166 -8.956 1.00 0.00 O ATOM 0 H GLU A 30 0.754 -18.805 -9.094 1.00 0.00 H new ATOM 0 HA GLU A 30 0.376 -20.192 -6.545 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.540 -18.538 -6.059 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.095 -18.049 -5.660 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.213 -17.348 -8.324 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.351 -16.318 -6.913 1.00 0.00 H new ATOM 215 N CYS A 31 -1.670 -21.232 -7.470 1.00 0.00 N ATOM 216 CA CYS A 31 -2.734 -21.988 -8.107 1.00 0.00 C ATOM 217 C CYS A 31 -3.893 -21.033 -8.399 1.00 0.00 C ATOM 218 O CYS A 31 -4.507 -20.496 -7.478 1.00 0.00 O ATOM 219 CB CYS A 31 -3.176 -23.176 -7.250 1.00 0.00 C ATOM 220 SG CYS A 31 -3.234 -24.695 -8.269 1.00 0.00 S ATOM 0 H CYS A 31 -1.387 -21.583 -6.555 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.371 -22.414 -9.042 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -2.485 -23.312 -6.418 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -4.158 -22.979 -6.819 1.00 0.00 H new ATOM 225 N GLU A 32 -4.158 -20.850 -9.684 1.00 0.00 N ATOM 226 CA GLU A 32 -5.233 -19.969 -10.109 1.00 0.00 C ATOM 227 C GLU A 32 -6.583 -20.676 -9.976 1.00 0.00 C ATOM 228 O GLU A 32 -7.618 -20.117 -10.335 1.00 0.00 O ATOM 229 CB GLU A 32 -5.008 -19.481 -11.542 1.00 0.00 C ATOM 230 CG GLU A 32 -6.160 -18.586 -12.003 1.00 0.00 C ATOM 231 CD GLU A 32 -5.714 -17.658 -13.135 1.00 0.00 C ATOM 232 OE1 GLU A 32 -4.841 -18.030 -13.934 1.00 0.00 O ATOM 233 OE2 GLU A 32 -6.308 -16.514 -13.169 1.00 0.00 O ATOM 0 H GLU A 32 -3.647 -21.297 -10.445 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.238 -19.094 -9.459 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.069 -18.930 -11.599 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.917 -20.336 -12.211 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.992 -19.203 -12.341 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.523 -17.993 -11.164 1.00 0.00 H new ATOM 241 N VAL A 33 -6.528 -21.894 -9.458 1.00 0.00 N ATOM 242 CA VAL A 33 -7.734 -22.683 -9.273 1.00 0.00 C ATOM 243 C VAL A 33 -8.064 -22.759 -7.781 1.00 0.00 C ATOM 244 O VAL A 33 -9.142 -23.215 -7.402 1.00 0.00 O ATOM 245 CB VAL A 33 -7.563 -24.060 -9.918 1.00 0.00 C ATOM 246 CG1 VAL A 33 -6.093 -24.336 -10.239 1.00 0.00 C ATOM 247 CG2 VAL A 33 -8.144 -25.159 -9.027 1.00 0.00 C ATOM 0 H VAL A 33 -5.667 -22.354 -9.161 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.580 -22.209 -9.770 1.00 0.00 H new ATOM 0 HB VAL A 33 -8.118 -24.061 -10.856 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.999 -25.321 -10.696 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.723 -23.578 -10.930 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -5.508 -24.306 -9.320 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -8.009 -26.127 -9.509 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -7.630 -25.158 -8.066 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -9.207 -24.976 -8.870 1.00 0.00 H new ATOM 257 N HIS A 34 -7.117 -22.305 -6.974 1.00 0.00 N ATOM 258 CA HIS A 34 -7.294 -22.315 -5.531 1.00 0.00 C ATOM 259 C HIS A 34 -6.951 -20.937 -4.962 1.00 0.00 C ATOM 260 O HIS A 34 -5.781 -20.565 -4.888 1.00 0.00 O ATOM 261 CB HIS A 34 -6.478 -23.440 -4.892 1.00 0.00 C ATOM 262 CG HIS A 34 -6.281 -24.641 -5.787 1.00 0.00 C ATOM 263 ND1 HIS A 34 -5.865 -24.535 -7.102 1.00 0.00 N ATOM 264 CD2 HIS A 34 -6.447 -25.972 -5.541 1.00 0.00 C ATOM 265 CE1 HIS A 34 -5.788 -25.754 -7.616 1.00 0.00 C ATOM 266 NE2 HIS A 34 -6.149 -26.643 -6.646 1.00 0.00 N ATOM 0 H HIS A 34 -6.224 -21.928 -7.291 1.00 0.00 H new ATOM 0 HA HIS A 34 -8.337 -22.519 -5.290 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -5.502 -23.049 -4.606 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -6.975 -23.760 -3.976 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -6.767 -26.406 -4.605 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -5.492 -26.000 -8.625 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -6.184 -27.657 -6.753 1.00 0.00 H new ATOM 274 N GLU A 35 -7.993 -20.216 -4.575 1.00 0.00 N ATOM 275 CA GLU A 35 -7.818 -18.887 -4.015 1.00 0.00 C ATOM 276 C GLU A 35 -7.264 -18.980 -2.591 1.00 0.00 C ATOM 277 O GLU A 35 -7.888 -19.578 -1.716 1.00 0.00 O ATOM 278 CB GLU A 35 -9.131 -18.103 -4.042 1.00 0.00 C ATOM 279 CG GLU A 35 -9.504 -17.708 -5.472 1.00 0.00 C ATOM 280 CD GLU A 35 -10.234 -18.850 -6.183 1.00 0.00 C ATOM 281 OE1 GLU A 35 -9.617 -19.591 -6.962 1.00 0.00 O ATOM 282 OE2 GLU A 35 -11.489 -18.955 -5.900 1.00 0.00 O ATOM 0 H GLU A 35 -8.962 -20.528 -4.638 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.098 -18.347 -4.630 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.928 -18.707 -3.608 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.037 -17.208 -3.426 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -10.138 -16.821 -5.455 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.604 -17.445 -6.027 1.00 0.00 H new ATOM 290 N GLY A 36 -6.098 -18.380 -2.404 1.00 0.00 N ATOM 291 CA GLY A 36 -5.453 -18.387 -1.102 1.00 0.00 C ATOM 292 C GLY A 36 -4.193 -19.255 -1.119 1.00 0.00 C ATOM 293 O GLY A 36 -3.427 -19.262 -0.157 1.00 0.00 O ATOM 0 H GLY A 36 -5.583 -17.886 -3.132 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -5.193 -17.368 -0.815 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -6.147 -18.762 -0.350 1.00 0.00 H new ATOM 297 N THR A 37 -4.018 -19.966 -2.223 1.00 0.00 N ATOM 298 CA THR A 37 -2.864 -20.836 -2.378 1.00 0.00 C ATOM 299 C THR A 37 -1.759 -20.122 -3.159 1.00 0.00 C ATOM 300 O THR A 37 -2.019 -19.525 -4.203 1.00 0.00 O ATOM 301 CB THR A 37 -3.335 -22.133 -3.039 1.00 0.00 C ATOM 302 OG1 THR A 37 -3.880 -21.709 -4.286 1.00 0.00 O ATOM 303 CG2 THR A 37 -4.523 -22.765 -2.310 1.00 0.00 C ATOM 0 H THR A 37 -4.656 -19.958 -3.019 1.00 0.00 H new ATOM 0 HA THR A 37 -2.425 -21.087 -1.412 1.00 0.00 H new ATOM 0 HB THR A 37 -2.509 -22.844 -3.072 1.00 0.00 H new ATOM 0 HG1 THR A 37 -4.788 -21.369 -4.147 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.817 -23.682 -2.820 1.00 0.00 H new ATOM 0 HG22 THR A 37 -4.239 -22.996 -1.283 1.00 0.00 H new ATOM 0 HG23 THR A 37 -5.361 -22.067 -2.306 1.00 0.00 H new ATOM 311 N TYR A 38 -0.551 -20.207 -2.623 1.00 0.00 N ATOM 312 CA TYR A 38 0.595 -19.576 -3.257 1.00 0.00 C ATOM 313 C TYR A 38 1.846 -20.445 -3.117 1.00 0.00 C ATOM 314 O TYR A 38 1.874 -21.374 -2.312 1.00 0.00 O ATOM 315 CB TYR A 38 0.817 -18.259 -2.511 1.00 0.00 C ATOM 316 CG TYR A 38 -0.086 -17.117 -2.982 1.00 0.00 C ATOM 317 CD1 TYR A 38 0.271 -16.363 -4.082 1.00 0.00 C ATOM 318 CD2 TYR A 38 -1.258 -16.841 -2.307 1.00 0.00 C ATOM 319 CE1 TYR A 38 -0.580 -15.289 -4.525 1.00 0.00 C ATOM 320 CE2 TYR A 38 -2.108 -15.767 -2.750 1.00 0.00 C ATOM 321 CZ TYR A 38 -1.727 -15.044 -3.837 1.00 0.00 C ATOM 322 OH TYR A 38 -2.530 -14.029 -4.256 1.00 0.00 O ATOM 0 H TYR A 38 -0.340 -20.703 -1.757 1.00 0.00 H new ATOM 0 HA TYR A 38 0.412 -19.428 -4.321 1.00 0.00 H new ATOM 0 HB2 TYR A 38 0.651 -18.424 -1.446 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.858 -17.958 -2.629 1.00 0.00 H new ATOM 0 HD1 TYR A 38 1.188 -16.579 -4.610 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -1.537 -17.431 -1.446 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -0.313 -14.692 -5.384 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -3.028 -15.541 -2.231 1.00 0.00 H new ATOM 0 HH TYR A 38 -3.314 -13.970 -3.672 1.00 0.00 H new ATOM 332 N PHE A 39 2.851 -20.112 -3.913 1.00 0.00 N ATOM 333 CA PHE A 39 4.102 -20.850 -3.888 1.00 0.00 C ATOM 334 C PHE A 39 5.156 -20.175 -4.769 1.00 0.00 C ATOM 335 O PHE A 39 5.007 -20.118 -5.988 1.00 0.00 O ATOM 336 CB PHE A 39 3.810 -22.245 -4.443 1.00 0.00 C ATOM 337 CG PHE A 39 3.560 -22.275 -5.953 1.00 0.00 C ATOM 338 CD1 PHE A 39 2.304 -22.082 -6.438 1.00 0.00 C ATOM 339 CD2 PHE A 39 4.594 -22.493 -6.809 1.00 0.00 C ATOM 340 CE1 PHE A 39 2.072 -22.109 -7.839 1.00 0.00 C ATOM 341 CE2 PHE A 39 4.362 -22.520 -8.210 1.00 0.00 C ATOM 342 CZ PHE A 39 3.106 -22.328 -8.695 1.00 0.00 C ATOM 0 H PHE A 39 2.824 -19.340 -4.580 1.00 0.00 H new ATOM 0 HA PHE A 39 4.489 -20.889 -2.870 1.00 0.00 H new ATOM 0 HB2 PHE A 39 4.650 -22.900 -4.211 1.00 0.00 H new ATOM 0 HB3 PHE A 39 2.937 -22.653 -3.933 1.00 0.00 H new ATOM 0 HD1 PHE A 39 1.483 -21.908 -5.758 1.00 0.00 H new ATOM 0 HD2 PHE A 39 5.591 -22.646 -6.424 1.00 0.00 H new ATOM 0 HE1 PHE A 39 1.075 -21.956 -8.224 1.00 0.00 H new ATOM 0 HE2 PHE A 39 5.183 -22.693 -8.890 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.930 -22.349 -9.760 1.00 0.00 H new ATOM 352 N SER A 40 6.197 -19.679 -4.116 1.00 0.00 N ATOM 353 CA SER A 40 7.275 -19.010 -4.824 1.00 0.00 C ATOM 354 C SER A 40 8.340 -20.027 -5.238 1.00 0.00 C ATOM 355 O SER A 40 8.547 -21.027 -4.554 1.00 0.00 O ATOM 356 CB SER A 40 7.898 -17.909 -3.964 1.00 0.00 C ATOM 357 OG SER A 40 8.756 -18.439 -2.957 1.00 0.00 O ATOM 0 H SER A 40 6.317 -19.727 -3.104 1.00 0.00 H new ATOM 0 HA SER A 40 6.860 -18.545 -5.718 1.00 0.00 H new ATOM 0 HB2 SER A 40 8.463 -17.228 -4.600 1.00 0.00 H new ATOM 0 HB3 SER A 40 7.107 -17.324 -3.495 1.00 0.00 H new ATOM 0 HG SER A 40 9.135 -17.705 -2.431 1.00 0.00 H new ATOM 363 N ASP A 41 8.987 -19.735 -6.357 1.00 0.00 N ATOM 364 CA ASP A 41 10.025 -20.612 -6.871 1.00 0.00 C ATOM 365 C ASP A 41 10.870 -21.132 -5.706 1.00 0.00 C ATOM 366 O ASP A 41 11.778 -20.446 -5.239 1.00 0.00 O ATOM 367 CB ASP A 41 10.953 -19.864 -7.831 1.00 0.00 C ATOM 368 CG ASP A 41 11.059 -20.470 -9.232 1.00 0.00 C ATOM 369 OD1 ASP A 41 12.125 -20.435 -9.864 1.00 0.00 O ATOM 370 OD2 ASP A 41 9.972 -21.002 -9.679 1.00 0.00 O ATOM 0 H ASP A 41 8.812 -18.904 -6.922 1.00 0.00 H new ATOM 0 HA ASP A 41 9.541 -21.432 -7.402 1.00 0.00 H new ATOM 0 HB2 ASP A 41 10.604 -18.835 -7.922 1.00 0.00 H new ATOM 0 HB3 ASP A 41 11.950 -19.825 -7.392 1.00 0.00 H new ATOM 376 N SER A 42 10.542 -22.339 -5.271 1.00 0.00 N ATOM 377 CA SER A 42 11.259 -22.959 -4.170 1.00 0.00 C ATOM 378 C SER A 42 12.664 -23.362 -4.622 1.00 0.00 C ATOM 379 O SER A 42 12.843 -23.869 -5.728 1.00 0.00 O ATOM 380 CB SER A 42 10.503 -24.178 -3.637 1.00 0.00 C ATOM 381 OG SER A 42 10.690 -25.325 -4.461 1.00 0.00 O ATOM 0 H SER A 42 9.789 -22.905 -5.661 1.00 0.00 H new ATOM 0 HA SER A 42 11.338 -22.233 -3.361 1.00 0.00 H new ATOM 0 HB2 SER A 42 10.841 -24.400 -2.625 1.00 0.00 H new ATOM 0 HB3 SER A 42 9.440 -23.946 -3.574 1.00 0.00 H new ATOM 0 HG SER A 42 10.193 -26.082 -4.086 1.00 0.00 H new ATOM 387 N GLY A 43 13.626 -23.121 -3.742 1.00 0.00 N ATOM 388 CA GLY A 43 15.009 -23.452 -4.037 1.00 0.00 C ATOM 389 C GLY A 43 15.842 -22.187 -4.253 1.00 0.00 C ATOM 390 O GLY A 43 17.051 -22.190 -4.029 1.00 0.00 O ATOM 0 H GLY A 43 13.474 -22.701 -2.825 1.00 0.00 H new ATOM 0 HA2 GLY A 43 15.430 -24.033 -3.217 1.00 0.00 H new ATOM 0 HA3 GLY A 43 15.055 -24.078 -4.928 1.00 0.00 H new ATOM 394 N ASP A 44 15.161 -21.136 -4.686 1.00 0.00 N ATOM 395 CA ASP A 44 15.823 -19.867 -4.935 1.00 0.00 C ATOM 396 C ASP A 44 14.886 -18.723 -4.543 1.00 0.00 C ATOM 397 O ASP A 44 14.199 -18.159 -5.393 1.00 0.00 O ATOM 398 CB ASP A 44 16.170 -19.708 -6.417 1.00 0.00 C ATOM 399 CG ASP A 44 16.944 -20.876 -7.029 1.00 0.00 C ATOM 400 OD1 ASP A 44 16.385 -21.956 -7.272 1.00 0.00 O ATOM 401 OD2 ASP A 44 18.191 -20.642 -7.261 1.00 0.00 O ATOM 0 H ASP A 44 14.158 -21.137 -4.871 1.00 0.00 H new ATOM 0 HA ASP A 44 16.740 -19.843 -4.346 1.00 0.00 H new ATOM 0 HB2 ASP A 44 15.246 -19.571 -6.978 1.00 0.00 H new ATOM 0 HB3 ASP A 44 16.757 -18.798 -6.542 1.00 0.00 H new ATOM 407 N ILE A 45 14.889 -18.413 -3.255 1.00 0.00 N ATOM 408 CA ILE A 45 14.048 -17.346 -2.740 1.00 0.00 C ATOM 409 C ILE A 45 14.608 -15.996 -3.194 1.00 0.00 C ATOM 410 O ILE A 45 13.851 -15.083 -3.518 1.00 0.00 O ATOM 411 CB ILE A 45 13.895 -17.469 -1.222 1.00 0.00 C ATOM 412 CG1 ILE A 45 12.729 -18.391 -0.862 1.00 0.00 C ATOM 413 CG2 ILE A 45 13.759 -16.091 -0.571 1.00 0.00 C ATOM 414 CD1 ILE A 45 11.450 -17.587 -0.619 1.00 0.00 C ATOM 0 H ILE A 45 15.461 -18.882 -2.553 1.00 0.00 H new ATOM 0 HA ILE A 45 13.040 -17.426 -3.147 1.00 0.00 H new ATOM 0 HB ILE A 45 14.801 -17.925 -0.823 1.00 0.00 H new ATOM 0 HG12 ILE A 45 12.565 -19.107 -1.667 1.00 0.00 H new ATOM 0 HG13 ILE A 45 12.977 -18.965 0.031 1.00 0.00 H new ATOM 0 HG21 ILE A 45 13.652 -16.207 0.507 1.00 0.00 H new ATOM 0 HG22 ILE A 45 14.648 -15.498 -0.785 1.00 0.00 H new ATOM 0 HG23 ILE A 45 12.880 -15.585 -0.971 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.636 -18.266 -0.365 1.00 0.00 H new ATOM 0 HD12 ILE A 45 11.610 -16.889 0.202 1.00 0.00 H new ATOM 0 HD13 ILE A 45 11.192 -17.033 -1.521 1.00 0.00 H new ATOM 426 N SER A 46 15.931 -15.913 -3.202 1.00 0.00 N ATOM 427 CA SER A 46 16.601 -14.691 -3.611 1.00 0.00 C ATOM 428 C SER A 46 16.399 -14.459 -5.110 1.00 0.00 C ATOM 429 O SER A 46 16.401 -13.319 -5.571 1.00 0.00 O ATOM 430 CB SER A 46 18.093 -14.743 -3.278 1.00 0.00 C ATOM 431 OG SER A 46 18.817 -15.555 -4.199 1.00 0.00 O ATOM 0 H SER A 46 16.556 -16.672 -2.932 1.00 0.00 H new ATOM 0 HA SER A 46 16.162 -13.860 -3.059 1.00 0.00 H new ATOM 0 HB2 SER A 46 18.502 -13.733 -3.286 1.00 0.00 H new ATOM 0 HB3 SER A 46 18.226 -15.133 -2.269 1.00 0.00 H new ATOM 0 HG SER A 46 19.766 -15.562 -3.954 1.00 0.00 H new ATOM 437 N GLU A 47 16.230 -15.559 -5.828 1.00 0.00 N ATOM 438 CA GLU A 47 16.027 -15.491 -7.266 1.00 0.00 C ATOM 439 C GLU A 47 14.786 -14.656 -7.587 1.00 0.00 C ATOM 440 O GLU A 47 14.699 -14.052 -8.656 1.00 0.00 O ATOM 441 CB GLU A 47 15.918 -16.891 -7.872 1.00 0.00 C ATOM 442 CG GLU A 47 15.324 -16.834 -9.280 1.00 0.00 C ATOM 443 CD GLU A 47 15.361 -18.211 -9.947 1.00 0.00 C ATOM 444 OE1 GLU A 47 14.425 -18.573 -10.675 1.00 0.00 O ATOM 445 OE2 GLU A 47 16.411 -18.914 -9.688 1.00 0.00 O ATOM 0 H GLU A 47 16.229 -16.503 -5.441 1.00 0.00 H new ATOM 0 HA GLU A 47 16.894 -15.005 -7.713 1.00 0.00 H new ATOM 0 HB2 GLU A 47 16.904 -17.353 -7.908 1.00 0.00 H new ATOM 0 HB3 GLU A 47 15.295 -17.519 -7.236 1.00 0.00 H new ATOM 0 HG2 GLU A 47 14.295 -16.478 -9.230 1.00 0.00 H new ATOM 0 HG3 GLU A 47 15.881 -16.118 -9.885 1.00 0.00 H new ATOM 453 N ALA A 48 13.856 -14.648 -6.643 1.00 0.00 N ATOM 454 CA ALA A 48 12.624 -13.897 -6.813 1.00 0.00 C ATOM 455 C ALA A 48 12.930 -12.400 -6.740 1.00 0.00 C ATOM 456 O ALA A 48 12.256 -11.593 -7.379 1.00 0.00 O ATOM 457 CB ALA A 48 11.608 -14.336 -5.755 1.00 0.00 C ATOM 0 H ALA A 48 13.931 -15.150 -5.758 1.00 0.00 H new ATOM 0 HA ALA A 48 12.185 -14.097 -7.790 1.00 0.00 H new ATOM 0 HB1 ALA A 48 10.684 -13.773 -5.882 1.00 0.00 H new ATOM 0 HB2 ALA A 48 11.403 -15.401 -5.867 1.00 0.00 H new ATOM 0 HB3 ALA A 48 12.014 -14.148 -4.761 1.00 0.00 H new ATOM 463 N GLU A 49 13.947 -12.073 -5.957 1.00 0.00 N ATOM 464 CA GLU A 49 14.351 -10.687 -5.793 1.00 0.00 C ATOM 465 C GLU A 49 15.122 -10.210 -7.025 1.00 0.00 C ATOM 466 O GLU A 49 14.893 -9.105 -7.515 1.00 0.00 O ATOM 467 CB GLU A 49 15.182 -10.505 -4.521 1.00 0.00 C ATOM 468 CG GLU A 49 16.668 -10.357 -4.854 1.00 0.00 C ATOM 469 CD GLU A 49 17.504 -10.218 -3.580 1.00 0.00 C ATOM 470 OE1 GLU A 49 18.238 -9.231 -3.424 1.00 0.00 O ATOM 471 OE2 GLU A 49 17.371 -11.182 -2.732 1.00 0.00 O ATOM 0 H GLU A 49 14.504 -12.745 -5.429 1.00 0.00 H new ATOM 0 HA GLU A 49 13.454 -10.077 -5.691 1.00 0.00 H new ATOM 0 HB2 GLU A 49 14.837 -9.624 -3.980 1.00 0.00 H new ATOM 0 HB3 GLU A 49 15.037 -11.361 -3.862 1.00 0.00 H new ATOM 0 HG2 GLU A 49 17.005 -11.224 -5.422 1.00 0.00 H new ATOM 0 HG3 GLU A 49 16.817 -9.483 -5.488 1.00 0.00 H new ATOM 479 N GLU A 50 16.020 -11.066 -7.490 1.00 0.00 N ATOM 480 CA GLU A 50 16.826 -10.745 -8.656 1.00 0.00 C ATOM 481 C GLU A 50 15.934 -10.565 -9.885 1.00 0.00 C ATOM 482 O GLU A 50 16.079 -9.594 -10.626 1.00 0.00 O ATOM 483 CB GLU A 50 17.888 -11.819 -8.901 1.00 0.00 C ATOM 484 CG GLU A 50 17.439 -12.795 -9.990 1.00 0.00 C ATOM 485 CD GLU A 50 18.520 -13.842 -10.267 1.00 0.00 C ATOM 486 OE1 GLU A 50 18.582 -14.390 -11.378 1.00 0.00 O ATOM 487 OE2 GLU A 50 19.315 -14.079 -9.280 1.00 0.00 O ATOM 0 H GLU A 50 16.207 -11.981 -7.081 1.00 0.00 H new ATOM 0 HA GLU A 50 17.344 -9.805 -8.467 1.00 0.00 H new ATOM 0 HB2 GLU A 50 18.826 -11.348 -9.194 1.00 0.00 H new ATOM 0 HB3 GLU A 50 18.080 -12.363 -7.976 1.00 0.00 H new ATOM 0 HG2 GLU A 50 16.518 -13.290 -9.682 1.00 0.00 H new ATOM 0 HG3 GLU A 50 17.216 -12.247 -10.905 1.00 0.00 H new ATOM 495 N LEU A 51 15.030 -11.517 -10.065 1.00 0.00 N ATOM 496 CA LEU A 51 14.114 -11.477 -11.192 1.00 0.00 C ATOM 497 C LEU A 51 13.078 -10.374 -10.962 1.00 0.00 C ATOM 498 O LEU A 51 12.541 -9.813 -11.916 1.00 0.00 O ATOM 499 CB LEU A 51 13.499 -12.857 -11.433 1.00 0.00 C ATOM 500 CG LEU A 51 12.002 -12.984 -11.148 1.00 0.00 C ATOM 501 CD1 LEU A 51 11.700 -12.721 -9.671 1.00 0.00 C ATOM 502 CD2 LEU A 51 11.189 -12.073 -12.070 1.00 0.00 C ATOM 0 H LEU A 51 14.912 -12.321 -9.449 1.00 0.00 H new ATOM 0 HA LEU A 51 14.649 -11.228 -12.109 1.00 0.00 H new ATOM 0 HB2 LEU A 51 13.675 -13.135 -12.472 1.00 0.00 H new ATOM 0 HB3 LEU A 51 14.029 -13.582 -10.815 1.00 0.00 H new ATOM 0 HG LEU A 51 11.700 -14.010 -11.360 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.629 -12.818 -9.496 1.00 0.00 H new ATOM 0 HD12 LEU A 51 12.235 -13.444 -9.056 1.00 0.00 H new ATOM 0 HD13 LEU A 51 12.021 -11.713 -9.408 1.00 0.00 H new ATOM 0 HD21 LEU A 51 10.128 -12.183 -11.846 1.00 0.00 H new ATOM 0 HD22 LEU A 51 11.488 -11.037 -11.913 1.00 0.00 H new ATOM 0 HD23 LEU A 51 11.372 -12.350 -13.108 1.00 0.00 H new ATOM 514 N ALA A 52 12.827 -10.098 -9.691 1.00 0.00 N ATOM 515 CA ALA A 52 11.865 -9.073 -9.324 1.00 0.00 C ATOM 516 C ALA A 52 12.418 -7.699 -9.708 1.00 0.00 C ATOM 517 O ALA A 52 11.699 -6.868 -10.260 1.00 0.00 O ATOM 518 CB ALA A 52 11.551 -9.178 -7.830 1.00 0.00 C ATOM 0 H ALA A 52 13.273 -10.566 -8.902 1.00 0.00 H new ATOM 0 HA ALA A 52 10.929 -9.215 -9.865 1.00 0.00 H new ATOM 0 HB1 ALA A 52 10.829 -8.409 -7.555 1.00 0.00 H new ATOM 0 HB2 ALA A 52 11.133 -10.161 -7.614 1.00 0.00 H new ATOM 0 HB3 ALA A 52 12.467 -9.039 -7.255 1.00 0.00 H new ATOM 524 N ARG A 53 13.692 -7.502 -9.399 1.00 0.00 N ATOM 525 CA ARG A 53 14.350 -6.243 -9.705 1.00 0.00 C ATOM 526 C ARG A 53 14.488 -6.070 -11.219 1.00 0.00 C ATOM 527 O ARG A 53 14.302 -4.973 -11.742 1.00 0.00 O ATOM 528 CB ARG A 53 15.736 -6.176 -9.062 1.00 0.00 C ATOM 529 CG ARG A 53 16.830 -6.495 -10.083 1.00 0.00 C ATOM 530 CD ARG A 53 18.211 -6.503 -9.423 1.00 0.00 C ATOM 531 NE ARG A 53 18.276 -7.572 -8.401 1.00 0.00 N ATOM 532 CZ ARG A 53 19.416 -8.125 -7.965 1.00 0.00 C ATOM 533 NH1 ARG A 53 20.592 -7.715 -8.459 1.00 0.00 N ATOM 534 NH2 ARG A 53 19.380 -9.089 -7.035 1.00 0.00 N ATOM 0 H ARG A 53 14.285 -8.193 -8.940 1.00 0.00 H new ATOM 0 HA ARG A 53 13.735 -5.440 -9.299 1.00 0.00 H new ATOM 0 HB2 ARG A 53 15.900 -5.182 -8.646 1.00 0.00 H new ATOM 0 HB3 ARG A 53 15.791 -6.881 -8.233 1.00 0.00 H new ATOM 0 HG2 ARG A 53 16.635 -7.466 -10.539 1.00 0.00 H new ATOM 0 HG3 ARG A 53 16.810 -5.757 -10.885 1.00 0.00 H new ATOM 0 HD2 ARG A 53 18.983 -6.661 -10.176 1.00 0.00 H new ATOM 0 HD3 ARG A 53 18.409 -5.535 -8.962 1.00 0.00 H new ATOM 0 HE ARG A 53 17.399 -7.908 -8.004 1.00 0.00 H new ATOM 0 HH11 ARG A 53 20.620 -6.982 -9.167 1.00 0.00 H new ATOM 0 HH12 ARG A 53 21.459 -8.136 -8.127 1.00 0.00 H new ATOM 0 HH21 ARG A 53 18.485 -9.402 -6.659 1.00 0.00 H new ATOM 0 HH22 ARG A 53 20.248 -9.510 -6.703 1.00 0.00 H new ATOM 548 N GLU A 54 14.814 -7.171 -11.880 1.00 0.00 N ATOM 549 CA GLU A 54 14.980 -7.156 -13.324 1.00 0.00 C ATOM 550 C GLU A 54 13.644 -6.858 -14.008 1.00 0.00 C ATOM 551 O GLU A 54 13.552 -5.946 -14.828 1.00 0.00 O ATOM 552 CB GLU A 54 15.569 -8.477 -13.822 1.00 0.00 C ATOM 553 CG GLU A 54 15.423 -8.604 -15.340 1.00 0.00 C ATOM 554 CD GLU A 54 16.235 -7.526 -16.061 1.00 0.00 C ATOM 555 OE1 GLU A 54 17.144 -6.931 -15.464 1.00 0.00 O ATOM 556 OE2 GLU A 54 15.894 -7.316 -17.287 1.00 0.00 O ATOM 0 H GLU A 54 14.968 -8.079 -11.442 1.00 0.00 H new ATOM 0 HA GLU A 54 15.683 -6.364 -13.582 1.00 0.00 H new ATOM 0 HB2 GLU A 54 16.622 -8.536 -13.548 1.00 0.00 H new ATOM 0 HB3 GLU A 54 15.065 -9.311 -13.333 1.00 0.00 H new ATOM 0 HG2 GLU A 54 15.757 -9.591 -15.660 1.00 0.00 H new ATOM 0 HG3 GLU A 54 14.372 -8.518 -15.616 1.00 0.00 H new ATOM 564 N LYS A 55 12.642 -7.646 -13.646 1.00 0.00 N ATOM 565 CA LYS A 55 11.315 -7.478 -14.215 1.00 0.00 C ATOM 566 C LYS A 55 10.865 -6.028 -14.030 1.00 0.00 C ATOM 567 O LYS A 55 10.463 -5.371 -14.989 1.00 0.00 O ATOM 568 CB LYS A 55 10.346 -8.504 -13.625 1.00 0.00 C ATOM 569 CG LYS A 55 10.462 -9.848 -14.347 1.00 0.00 C ATOM 570 CD LYS A 55 10.150 -9.699 -15.837 1.00 0.00 C ATOM 571 CE LYS A 55 9.691 -11.029 -16.437 1.00 0.00 C ATOM 572 NZ LYS A 55 10.789 -12.020 -16.402 1.00 0.00 N ATOM 0 H LYS A 55 12.722 -8.402 -12.966 1.00 0.00 H new ATOM 0 HA LYS A 55 11.333 -7.671 -15.288 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.555 -8.638 -12.564 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.325 -8.132 -13.704 1.00 0.00 H new ATOM 0 HG2 LYS A 55 11.469 -10.247 -14.221 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.776 -10.566 -13.898 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.374 -8.946 -15.976 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.036 -9.345 -16.364 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.833 -11.408 -15.882 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.363 -10.877 -17.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 10.495 -12.882 -16.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 11.631 -11.621 -16.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 11.014 -12.254 -15.414 1.00 0.00 H new ATOM 586 N PHE A 56 10.947 -5.571 -12.789 1.00 0.00 N ATOM 587 CA PHE A 56 10.553 -4.210 -12.465 1.00 0.00 C ATOM 588 C PHE A 56 11.515 -3.197 -13.089 1.00 0.00 C ATOM 589 O PHE A 56 11.119 -2.080 -13.418 1.00 0.00 O ATOM 590 CB PHE A 56 10.610 -4.078 -10.942 1.00 0.00 C ATOM 591 CG PHE A 56 9.611 -3.073 -10.366 1.00 0.00 C ATOM 592 CD1 PHE A 56 9.697 -1.758 -10.705 1.00 0.00 C ATOM 593 CD2 PHE A 56 8.636 -3.493 -9.516 1.00 0.00 C ATOM 594 CE1 PHE A 56 8.770 -0.825 -10.171 1.00 0.00 C ATOM 595 CE2 PHE A 56 7.708 -2.559 -8.982 1.00 0.00 C ATOM 596 CZ PHE A 56 7.795 -1.245 -9.321 1.00 0.00 C ATOM 0 H PHE A 56 11.280 -6.119 -11.996 1.00 0.00 H new ATOM 0 HA PHE A 56 9.555 -4.010 -12.854 1.00 0.00 H new ATOM 0 HB2 PHE A 56 10.425 -5.055 -10.496 1.00 0.00 H new ATOM 0 HB3 PHE A 56 11.617 -3.781 -10.651 1.00 0.00 H new ATOM 0 HD1 PHE A 56 10.471 -1.424 -11.380 1.00 0.00 H new ATOM 0 HD2 PHE A 56 8.567 -4.537 -9.247 1.00 0.00 H new ATOM 0 HE1 PHE A 56 8.839 0.219 -10.440 1.00 0.00 H new ATOM 0 HE2 PHE A 56 6.934 -2.893 -8.307 1.00 0.00 H new ATOM 0 HZ PHE A 56 7.090 -0.535 -8.915 1.00 0.00 H new ATOM 606 N GLU A 57 12.761 -3.624 -13.232 1.00 0.00 N ATOM 607 CA GLU A 57 13.784 -2.768 -13.810 1.00 0.00 C ATOM 608 C GLU A 57 13.571 -2.633 -15.320 1.00 0.00 C ATOM 609 O GLU A 57 14.069 -1.694 -15.939 1.00 0.00 O ATOM 610 CB GLU A 57 15.184 -3.300 -13.499 1.00 0.00 C ATOM 611 CG GLU A 57 16.238 -2.606 -14.364 1.00 0.00 C ATOM 612 CD GLU A 57 16.407 -3.324 -15.705 1.00 0.00 C ATOM 613 OE1 GLU A 57 16.249 -4.551 -15.775 1.00 0.00 O ATOM 614 OE2 GLU A 57 16.712 -2.559 -16.698 1.00 0.00 O ATOM 0 H GLU A 57 13.086 -4.551 -12.958 1.00 0.00 H new ATOM 0 HA GLU A 57 13.700 -1.779 -13.361 1.00 0.00 H new ATOM 0 HB2 GLU A 57 15.411 -3.141 -12.445 1.00 0.00 H new ATOM 0 HB3 GLU A 57 15.216 -4.375 -13.674 1.00 0.00 H new ATOM 0 HG2 GLU A 57 15.947 -1.570 -14.536 1.00 0.00 H new ATOM 0 HG3 GLU A 57 17.191 -2.586 -13.836 1.00 0.00 H new ATOM 622 N LYS A 58 12.831 -3.585 -15.868 1.00 0.00 N ATOM 623 CA LYS A 58 12.546 -3.584 -17.293 1.00 0.00 C ATOM 624 C LYS A 58 11.383 -2.631 -17.576 1.00 0.00 C ATOM 625 O LYS A 58 10.930 -2.520 -18.714 1.00 0.00 O ATOM 626 CB LYS A 58 12.308 -5.010 -17.793 1.00 0.00 C ATOM 627 CG LYS A 58 12.433 -5.086 -19.316 1.00 0.00 C ATOM 628 CD LYS A 58 13.897 -5.002 -19.751 1.00 0.00 C ATOM 629 CE LYS A 58 14.024 -4.349 -21.129 1.00 0.00 C ATOM 630 NZ LYS A 58 15.443 -4.281 -21.542 1.00 0.00 N ATOM 0 H LYS A 58 12.420 -4.362 -15.351 1.00 0.00 H new ATOM 0 HA LYS A 58 13.405 -3.214 -17.853 1.00 0.00 H new ATOM 0 HB2 LYS A 58 13.028 -5.686 -17.331 1.00 0.00 H new ATOM 0 HB3 LYS A 58 11.316 -5.345 -17.489 1.00 0.00 H new ATOM 0 HG2 LYS A 58 11.996 -6.018 -19.674 1.00 0.00 H new ATOM 0 HG3 LYS A 58 11.867 -4.273 -19.772 1.00 0.00 H new ATOM 0 HD2 LYS A 58 14.465 -4.428 -19.019 1.00 0.00 H new ATOM 0 HD3 LYS A 58 14.330 -6.002 -19.777 1.00 0.00 H new ATOM 0 HE2 LYS A 58 13.453 -4.919 -21.862 1.00 0.00 H new ATOM 0 HE3 LYS A 58 13.598 -3.346 -21.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 15.511 -3.835 -22.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 15.979 -3.718 -20.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 15.838 -5.242 -21.586 1.00 0.00 H new ATOM 644 N GLY A 59 10.933 -1.968 -16.521 1.00 0.00 N ATOM 645 CA GLY A 59 9.831 -1.028 -16.641 1.00 0.00 C ATOM 646 C GLY A 59 10.138 0.274 -15.899 1.00 0.00 C ATOM 647 O GLY A 59 10.299 1.324 -16.520 1.00 0.00 O ATOM 0 H GLY A 59 11.312 -2.063 -15.579 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.643 -0.815 -17.693 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.922 -1.475 -16.238 1.00 0.00 H new ATOM 651 N GLU A 60 10.210 0.164 -14.581 1.00 0.00 N ATOM 652 CA GLU A 60 10.494 1.320 -13.748 1.00 0.00 C ATOM 653 C GLU A 60 11.724 1.056 -12.877 1.00 0.00 C ATOM 654 O GLU A 60 12.384 0.028 -13.022 1.00 0.00 O ATOM 655 CB GLU A 60 9.283 1.688 -12.888 1.00 0.00 C ATOM 656 CG GLU A 60 8.365 2.665 -13.625 1.00 0.00 C ATOM 657 CD GLU A 60 8.949 4.080 -13.614 1.00 0.00 C ATOM 658 OE1 GLU A 60 10.164 4.250 -13.792 1.00 0.00 O ATOM 659 OE2 GLU A 60 8.091 5.022 -13.412 1.00 0.00 O ATOM 0 H GLU A 60 10.077 -0.708 -14.069 1.00 0.00 H new ATOM 0 HA GLU A 60 10.707 2.168 -14.398 1.00 0.00 H new ATOM 0 HB2 GLU A 60 8.728 0.786 -12.630 1.00 0.00 H new ATOM 0 HB3 GLU A 60 9.619 2.134 -11.952 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.226 2.333 -14.654 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.381 2.670 -13.156 1.00 0.00 H new ATOM 667 N VAL A 61 11.996 2.003 -11.991 1.00 0.00 N ATOM 668 CA VAL A 61 13.136 1.886 -11.097 1.00 0.00 C ATOM 669 C VAL A 61 14.358 1.425 -11.893 1.00 0.00 C ATOM 670 O VAL A 61 15.272 0.817 -11.337 1.00 0.00 O ATOM 671 CB VAL A 61 12.794 0.955 -9.932 1.00 0.00 C ATOM 672 CG1 VAL A 61 11.280 0.870 -9.724 1.00 0.00 C ATOM 673 CG2 VAL A 61 13.397 -0.435 -10.146 1.00 0.00 C ATOM 0 H VAL A 61 11.447 2.854 -11.873 1.00 0.00 H new ATOM 0 HA VAL A 61 13.380 2.854 -10.660 1.00 0.00 H new ATOM 0 HB VAL A 61 13.233 1.375 -9.027 1.00 0.00 H new ATOM 0 HG11 VAL A 61 11.064 0.202 -8.890 1.00 0.00 H new ATOM 0 HG12 VAL A 61 10.887 1.863 -9.505 1.00 0.00 H new ATOM 0 HG13 VAL A 61 10.810 0.485 -10.629 1.00 0.00 H new ATOM 0 HG21 VAL A 61 13.139 -1.077 -9.304 1.00 0.00 H new ATOM 0 HG22 VAL A 61 13.001 -0.866 -11.065 1.00 0.00 H new ATOM 0 HG23 VAL A 61 14.481 -0.354 -10.221 1.00 0.00 H new ATOM 683 N SER A 62 14.335 1.731 -13.182 1.00 0.00 N ATOM 684 CA SER A 62 15.430 1.354 -14.059 1.00 0.00 C ATOM 685 C SER A 62 16.686 2.151 -13.701 1.00 0.00 C ATOM 686 O SER A 62 17.768 1.875 -14.215 1.00 0.00 O ATOM 687 CB SER A 62 15.061 1.578 -15.527 1.00 0.00 C ATOM 688 OG SER A 62 14.870 2.958 -15.826 1.00 0.00 O ATOM 0 H SER A 62 13.576 2.235 -13.640 1.00 0.00 H new ATOM 0 HA SER A 62 15.629 0.292 -13.920 1.00 0.00 H new ATOM 0 HB2 SER A 62 15.848 1.175 -16.164 1.00 0.00 H new ATOM 0 HB3 SER A 62 14.150 1.027 -15.760 1.00 0.00 H new ATOM 0 HG SER A 62 14.638 3.058 -16.773 1.00 0.00 H new ATOM 694 N ASN A 63 16.499 3.124 -12.821 1.00 0.00 N ATOM 695 CA ASN A 63 17.603 3.963 -12.388 1.00 0.00 C ATOM 696 C ASN A 63 18.435 3.208 -11.349 1.00 0.00 C ATOM 697 O ASN A 63 19.513 3.659 -10.964 1.00 0.00 O ATOM 698 CB ASN A 63 17.095 5.252 -11.739 1.00 0.00 C ATOM 699 CG ASN A 63 16.670 6.269 -12.800 1.00 0.00 C ATOM 700 OD1 ASN A 63 17.357 7.238 -13.078 1.00 0.00 O ATOM 701 ND2 ASN A 63 15.502 5.996 -13.374 1.00 0.00 N ATOM 0 H ASN A 63 15.599 3.350 -12.396 1.00 0.00 H new ATOM 0 HA ASN A 63 18.200 4.212 -13.265 1.00 0.00 H new ATOM 0 HB2 ASN A 63 16.251 5.027 -11.087 1.00 0.00 H new ATOM 0 HB3 ASN A 63 17.877 5.680 -11.112 1.00 0.00 H new ATOM 0 HD21 ASN A 63 15.131 6.615 -14.094 1.00 0.00 H new ATOM 0 HD22 ASN A 63 14.978 5.167 -13.094 1.00 0.00 H new ATOM 708 N PHE A 64 17.904 2.071 -10.926 1.00 0.00 N ATOM 709 CA PHE A 64 18.584 1.248 -9.939 1.00 0.00 C ATOM 710 C PHE A 64 18.888 2.051 -8.673 1.00 0.00 C ATOM 711 O PHE A 64 20.017 2.042 -8.185 1.00 0.00 O ATOM 712 CB PHE A 64 19.901 0.792 -10.569 1.00 0.00 C ATOM 713 CG PHE A 64 19.727 -0.132 -11.776 1.00 0.00 C ATOM 714 CD1 PHE A 64 19.438 -1.448 -11.589 1.00 0.00 C ATOM 715 CD2 PHE A 64 19.860 0.363 -13.036 1.00 0.00 C ATOM 716 CE1 PHE A 64 19.277 -2.305 -12.709 1.00 0.00 C ATOM 717 CE2 PHE A 64 19.698 -0.495 -14.156 1.00 0.00 C ATOM 718 CZ PHE A 64 19.410 -1.811 -13.969 1.00 0.00 C ATOM 0 H PHE A 64 17.010 1.699 -11.248 1.00 0.00 H new ATOM 0 HA PHE A 64 17.954 0.404 -9.659 1.00 0.00 H new ATOM 0 HB2 PHE A 64 20.468 1.671 -10.876 1.00 0.00 H new ATOM 0 HB3 PHE A 64 20.494 0.277 -9.813 1.00 0.00 H new ATOM 0 HD1 PHE A 64 19.331 -1.841 -10.589 1.00 0.00 H new ATOM 0 HD2 PHE A 64 20.089 1.408 -13.185 1.00 0.00 H new ATOM 0 HE1 PHE A 64 19.049 -3.350 -12.560 1.00 0.00 H new ATOM 0 HE2 PHE A 64 19.804 -0.102 -15.157 1.00 0.00 H new ATOM 0 HZ PHE A 64 19.287 -2.463 -14.821 1.00 0.00 H new ATOM 728 N ASP A 65 17.861 2.725 -8.176 1.00 0.00 N ATOM 729 CA ASP A 65 18.005 3.531 -6.976 1.00 0.00 C ATOM 730 C ASP A 65 17.331 2.815 -5.803 1.00 0.00 C ATOM 731 O ASP A 65 17.838 2.840 -4.682 1.00 0.00 O ATOM 732 CB ASP A 65 17.335 4.896 -7.145 1.00 0.00 C ATOM 733 CG ASP A 65 18.238 5.993 -7.712 1.00 0.00 C ATOM 734 OD1 ASP A 65 17.757 7.003 -8.247 1.00 0.00 O ATOM 735 OD2 ASP A 65 19.503 5.777 -7.586 1.00 0.00 O ATOM 0 H ASP A 65 16.926 2.729 -8.583 1.00 0.00 H new ATOM 0 HA ASP A 65 19.070 3.673 -6.791 1.00 0.00 H new ATOM 0 HB2 ASP A 65 16.472 4.782 -7.801 1.00 0.00 H new ATOM 0 HB3 ASP A 65 16.958 5.222 -6.175 1.00 0.00 H new ATOM 741 N ASP A 66 16.199 2.195 -6.101 1.00 0.00 N ATOM 742 CA ASP A 66 15.451 1.474 -5.086 1.00 0.00 C ATOM 743 C ASP A 66 15.483 -0.023 -5.401 1.00 0.00 C ATOM 744 O ASP A 66 14.612 -0.772 -4.961 1.00 0.00 O ATOM 745 CB ASP A 66 13.988 1.921 -5.059 1.00 0.00 C ATOM 746 CG ASP A 66 13.774 3.427 -4.899 1.00 0.00 C ATOM 747 OD1 ASP A 66 13.352 4.116 -5.840 1.00 0.00 O ATOM 748 OD2 ASP A 66 14.065 3.898 -3.734 1.00 0.00 O ATOM 0 H ASP A 66 15.782 2.177 -7.031 1.00 0.00 H new ATOM 0 HA ASP A 66 15.909 1.681 -4.119 1.00 0.00 H new ATOM 0 HB2 ASP A 66 13.508 1.597 -5.983 1.00 0.00 H new ATOM 0 HB3 ASP A 66 13.482 1.409 -4.240 1.00 0.00 H new ATOM 754 N VAL A 67 16.496 -0.414 -6.160 1.00 0.00 N ATOM 755 CA VAL A 67 16.652 -1.808 -6.540 1.00 0.00 C ATOM 756 C VAL A 67 16.718 -2.671 -5.278 1.00 0.00 C ATOM 757 O VAL A 67 16.059 -3.706 -5.195 1.00 0.00 O ATOM 758 CB VAL A 67 17.879 -1.970 -7.440 1.00 0.00 C ATOM 759 CG1 VAL A 67 19.142 -1.465 -6.742 1.00 0.00 C ATOM 760 CG2 VAL A 67 18.042 -3.425 -7.886 1.00 0.00 C ATOM 0 H VAL A 67 17.217 0.210 -6.522 1.00 0.00 H new ATOM 0 HA VAL A 67 15.793 -2.145 -7.120 1.00 0.00 H new ATOM 0 HB VAL A 67 17.724 -1.361 -8.331 1.00 0.00 H new ATOM 0 HG11 VAL A 67 19.999 -1.592 -7.404 1.00 0.00 H new ATOM 0 HG12 VAL A 67 19.025 -0.409 -6.498 1.00 0.00 H new ATOM 0 HG13 VAL A 67 19.304 -2.033 -5.826 1.00 0.00 H new ATOM 0 HG21 VAL A 67 18.921 -3.514 -8.524 1.00 0.00 H new ATOM 0 HG22 VAL A 67 18.164 -4.063 -7.010 1.00 0.00 H new ATOM 0 HG23 VAL A 67 17.157 -3.737 -8.441 1.00 0.00 H new ATOM 770 N GLU A 68 17.520 -2.213 -4.328 1.00 0.00 N ATOM 771 CA GLU A 68 17.680 -2.930 -3.074 1.00 0.00 C ATOM 772 C GLU A 68 16.354 -2.973 -2.314 1.00 0.00 C ATOM 773 O GLU A 68 16.051 -3.958 -1.642 1.00 0.00 O ATOM 774 CB GLU A 68 18.782 -2.300 -2.219 1.00 0.00 C ATOM 775 CG GLU A 68 20.160 -2.530 -2.844 1.00 0.00 C ATOM 776 CD GLU A 68 20.591 -3.991 -2.699 1.00 0.00 C ATOM 777 OE1 GLU A 68 20.577 -4.742 -3.686 1.00 0.00 O ATOM 778 OE2 GLU A 68 20.950 -4.338 -1.510 1.00 0.00 O ATOM 0 H GLU A 68 18.066 -1.355 -4.401 1.00 0.00 H new ATOM 0 HA GLU A 68 17.980 -3.953 -3.299 1.00 0.00 H new ATOM 0 HB2 GLU A 68 18.600 -1.230 -2.115 1.00 0.00 H new ATOM 0 HB3 GLU A 68 18.758 -2.726 -1.216 1.00 0.00 H new ATOM 0 HG2 GLU A 68 20.135 -2.258 -3.899 1.00 0.00 H new ATOM 0 HG3 GLU A 68 20.893 -1.881 -2.365 1.00 0.00 H new ATOM 786 N GLU A 69 15.597 -1.894 -2.445 1.00 0.00 N ATOM 787 CA GLU A 69 14.309 -1.796 -1.779 1.00 0.00 C ATOM 788 C GLU A 69 13.275 -2.669 -2.493 1.00 0.00 C ATOM 789 O GLU A 69 12.343 -3.171 -1.867 1.00 0.00 O ATOM 790 CB GLU A 69 13.841 -0.342 -1.701 1.00 0.00 C ATOM 791 CG GLU A 69 12.954 -0.116 -0.475 1.00 0.00 C ATOM 792 CD GLU A 69 13.797 0.001 0.796 1.00 0.00 C ATOM 793 OE1 GLU A 69 13.465 -0.615 1.820 1.00 0.00 O ATOM 794 OE2 GLU A 69 14.832 0.766 0.696 1.00 0.00 O ATOM 0 H GLU A 69 15.851 -1.079 -3.003 1.00 0.00 H new ATOM 0 HA GLU A 69 14.421 -2.161 -0.758 1.00 0.00 H new ATOM 0 HB2 GLU A 69 14.706 0.320 -1.656 1.00 0.00 H new ATOM 0 HB3 GLU A 69 13.290 -0.085 -2.605 1.00 0.00 H new ATOM 0 HG2 GLU A 69 12.365 0.791 -0.610 1.00 0.00 H new ATOM 0 HG3 GLU A 69 12.250 -0.942 -0.374 1.00 0.00 H new ATOM 802 N LEU A 70 13.474 -2.822 -3.794 1.00 0.00 N ATOM 803 CA LEU A 70 12.570 -3.624 -4.600 1.00 0.00 C ATOM 804 C LEU A 70 12.812 -5.106 -4.307 1.00 0.00 C ATOM 805 O LEU A 70 11.873 -5.848 -4.022 1.00 0.00 O ATOM 806 CB LEU A 70 12.704 -3.260 -6.080 1.00 0.00 C ATOM 807 CG LEU A 70 11.660 -2.285 -6.628 1.00 0.00 C ATOM 808 CD1 LEU A 70 10.426 -3.033 -7.139 1.00 0.00 C ATOM 809 CD2 LEU A 70 11.297 -1.227 -5.585 1.00 0.00 C ATOM 0 H LEU A 70 14.248 -2.404 -4.310 1.00 0.00 H new ATOM 0 HA LEU A 70 11.534 -3.411 -4.336 1.00 0.00 H new ATOM 0 HB2 LEU A 70 13.693 -2.830 -6.240 1.00 0.00 H new ATOM 0 HB3 LEU A 70 12.657 -4.178 -6.665 1.00 0.00 H new ATOM 0 HG LEU A 70 12.095 -1.762 -7.479 1.00 0.00 H new ATOM 0 HD11 LEU A 70 9.700 -2.317 -7.523 1.00 0.00 H new ATOM 0 HD12 LEU A 70 10.719 -3.716 -7.937 1.00 0.00 H new ATOM 0 HD13 LEU A 70 9.980 -3.600 -6.322 1.00 0.00 H new ATOM 0 HD21 LEU A 70 10.553 -0.547 -6.000 1.00 0.00 H new ATOM 0 HD22 LEU A 70 10.889 -1.714 -4.699 1.00 0.00 H new ATOM 0 HD23 LEU A 70 12.190 -0.665 -5.311 1.00 0.00 H new ATOM 821 N VAL A 71 14.076 -5.494 -4.389 1.00 0.00 N ATOM 822 CA VAL A 71 14.454 -6.874 -4.136 1.00 0.00 C ATOM 823 C VAL A 71 14.063 -7.251 -2.705 1.00 0.00 C ATOM 824 O VAL A 71 13.536 -8.337 -2.468 1.00 0.00 O ATOM 825 CB VAL A 71 15.944 -7.069 -4.420 1.00 0.00 C ATOM 826 CG1 VAL A 71 16.260 -6.813 -5.895 1.00 0.00 C ATOM 827 CG2 VAL A 71 16.796 -6.178 -3.514 1.00 0.00 C ATOM 0 H VAL A 71 14.852 -4.876 -4.627 1.00 0.00 H new ATOM 0 HA VAL A 71 13.919 -7.546 -4.807 1.00 0.00 H new ATOM 0 HB VAL A 71 16.194 -8.107 -4.200 1.00 0.00 H new ATOM 0 HG11 VAL A 71 17.326 -6.959 -6.069 1.00 0.00 H new ATOM 0 HG12 VAL A 71 15.693 -7.508 -6.515 1.00 0.00 H new ATOM 0 HG13 VAL A 71 15.986 -5.790 -6.153 1.00 0.00 H new ATOM 0 HG21 VAL A 71 17.851 -6.336 -3.736 1.00 0.00 H new ATOM 0 HG22 VAL A 71 16.541 -5.133 -3.688 1.00 0.00 H new ATOM 0 HG23 VAL A 71 16.603 -6.430 -2.471 1.00 0.00 H new ATOM 837 N LYS A 72 14.337 -6.334 -1.790 1.00 0.00 N ATOM 838 CA LYS A 72 14.021 -6.557 -0.389 1.00 0.00 C ATOM 839 C LYS A 72 12.502 -6.614 -0.216 1.00 0.00 C ATOM 840 O LYS A 72 11.975 -7.563 0.362 1.00 0.00 O ATOM 841 CB LYS A 72 14.701 -5.503 0.488 1.00 0.00 C ATOM 842 CG LYS A 72 14.000 -5.383 1.843 1.00 0.00 C ATOM 843 CD LYS A 72 14.193 -6.652 2.674 1.00 0.00 C ATOM 844 CE LYS A 72 15.604 -6.714 3.262 1.00 0.00 C ATOM 845 NZ LYS A 72 15.614 -7.522 4.502 1.00 0.00 N ATOM 0 H LYS A 72 14.774 -5.435 -1.991 1.00 0.00 H new ATOM 0 HA LYS A 72 14.416 -7.517 -0.057 1.00 0.00 H new ATOM 0 HB2 LYS A 72 15.747 -5.769 0.638 1.00 0.00 H new ATOM 0 HB3 LYS A 72 14.687 -4.538 -0.019 1.00 0.00 H new ATOM 0 HG2 LYS A 72 14.395 -4.525 2.386 1.00 0.00 H new ATOM 0 HG3 LYS A 72 12.936 -5.202 1.691 1.00 0.00 H new ATOM 0 HD2 LYS A 72 13.458 -6.679 3.479 1.00 0.00 H new ATOM 0 HD3 LYS A 72 14.016 -7.529 2.051 1.00 0.00 H new ATOM 0 HE2 LYS A 72 16.289 -7.147 2.533 1.00 0.00 H new ATOM 0 HE3 LYS A 72 15.960 -5.706 3.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 16.579 -7.554 4.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 14.975 -7.092 5.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 15.294 -8.489 4.289 1.00 0.00 H new ATOM 859 N LYS A 73 11.841 -5.586 -0.728 1.00 0.00 N ATOM 860 CA LYS A 73 10.393 -5.507 -0.638 1.00 0.00 C ATOM 861 C LYS A 73 9.779 -6.770 -1.245 1.00 0.00 C ATOM 862 O LYS A 73 8.756 -7.259 -0.768 1.00 0.00 O ATOM 863 CB LYS A 73 9.886 -4.211 -1.272 1.00 0.00 C ATOM 864 CG LYS A 73 10.225 -3.003 -0.396 1.00 0.00 C ATOM 865 CD LYS A 73 9.068 -2.669 0.549 1.00 0.00 C ATOM 866 CE LYS A 73 9.230 -3.389 1.889 1.00 0.00 C ATOM 867 NZ LYS A 73 10.602 -3.207 2.413 1.00 0.00 N ATOM 0 H LYS A 73 12.282 -4.801 -1.207 1.00 0.00 H new ATOM 0 HA LYS A 73 10.078 -5.468 0.405 1.00 0.00 H new ATOM 0 HB2 LYS A 73 10.332 -4.086 -2.259 1.00 0.00 H new ATOM 0 HB3 LYS A 73 8.807 -4.270 -1.415 1.00 0.00 H new ATOM 0 HG2 LYS A 73 11.124 -3.211 0.184 1.00 0.00 H new ATOM 0 HG3 LYS A 73 10.444 -2.142 -1.027 1.00 0.00 H new ATOM 0 HD2 LYS A 73 9.027 -1.592 0.713 1.00 0.00 H new ATOM 0 HD3 LYS A 73 8.123 -2.957 0.089 1.00 0.00 H new ATOM 0 HE2 LYS A 73 8.506 -3.002 2.606 1.00 0.00 H new ATOM 0 HE3 LYS A 73 9.020 -4.451 1.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 10.575 -3.174 3.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 11.199 -4.002 2.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 10.998 -2.317 2.048 1.00 0.00 H new ATOM 881 N VAL A 74 10.430 -7.262 -2.289 1.00 0.00 N ATOM 882 CA VAL A 74 9.961 -8.459 -2.967 1.00 0.00 C ATOM 883 C VAL A 74 10.140 -9.666 -2.045 1.00 0.00 C ATOM 884 O VAL A 74 9.176 -10.363 -1.733 1.00 0.00 O ATOM 885 CB VAL A 74 10.681 -8.618 -4.308 1.00 0.00 C ATOM 886 CG1 VAL A 74 10.395 -9.988 -4.925 1.00 0.00 C ATOM 887 CG2 VAL A 74 10.302 -7.491 -5.271 1.00 0.00 C ATOM 0 H VAL A 74 11.278 -6.854 -2.682 1.00 0.00 H new ATOM 0 HA VAL A 74 8.898 -8.378 -3.193 1.00 0.00 H new ATOM 0 HB VAL A 74 11.753 -8.553 -4.123 1.00 0.00 H new ATOM 0 HG11 VAL A 74 10.919 -10.075 -5.877 1.00 0.00 H new ATOM 0 HG12 VAL A 74 10.739 -10.771 -4.249 1.00 0.00 H new ATOM 0 HG13 VAL A 74 9.323 -10.096 -5.089 1.00 0.00 H new ATOM 0 HG21 VAL A 74 10.827 -7.628 -6.216 1.00 0.00 H new ATOM 0 HG22 VAL A 74 9.227 -7.510 -5.448 1.00 0.00 H new ATOM 0 HG23 VAL A 74 10.582 -6.531 -4.836 1.00 0.00 H new ATOM 897 N VAL A 75 11.382 -9.877 -1.634 1.00 0.00 N ATOM 898 CA VAL A 75 11.701 -10.988 -0.753 1.00 0.00 C ATOM 899 C VAL A 75 10.781 -10.945 0.468 1.00 0.00 C ATOM 900 O VAL A 75 10.396 -11.986 0.997 1.00 0.00 O ATOM 901 CB VAL A 75 13.186 -10.954 -0.385 1.00 0.00 C ATOM 902 CG1 VAL A 75 13.378 -11.075 1.128 1.00 0.00 C ATOM 903 CG2 VAL A 75 13.959 -12.048 -1.125 1.00 0.00 C ATOM 0 H VAL A 75 12.180 -9.297 -1.895 1.00 0.00 H new ATOM 0 HA VAL A 75 11.527 -11.938 -1.258 1.00 0.00 H new ATOM 0 HB VAL A 75 13.587 -9.990 -0.698 1.00 0.00 H new ATOM 0 HG11 VAL A 75 14.442 -11.048 1.363 1.00 0.00 H new ATOM 0 HG12 VAL A 75 12.875 -10.246 1.626 1.00 0.00 H new ATOM 0 HG13 VAL A 75 12.954 -12.017 1.474 1.00 0.00 H new ATOM 0 HG21 VAL A 75 15.012 -12.002 -0.846 1.00 0.00 H new ATOM 0 HG22 VAL A 75 13.555 -13.024 -0.857 1.00 0.00 H new ATOM 0 HG23 VAL A 75 13.862 -11.898 -2.200 1.00 0.00 H new ATOM 913 N ALA A 76 10.456 -9.729 0.882 1.00 0.00 N ATOM 914 CA ALA A 76 9.588 -9.536 2.031 1.00 0.00 C ATOM 915 C ALA A 76 8.185 -10.047 1.697 1.00 0.00 C ATOM 916 O ALA A 76 7.534 -10.673 2.532 1.00 0.00 O ATOM 917 CB ALA A 76 9.591 -8.060 2.432 1.00 0.00 C ATOM 0 H ALA A 76 10.778 -8.867 0.442 1.00 0.00 H new ATOM 0 HA ALA A 76 9.951 -10.106 2.886 1.00 0.00 H new ATOM 0 HB1 ALA A 76 8.940 -7.916 3.294 1.00 0.00 H new ATOM 0 HB2 ALA A 76 10.605 -7.755 2.689 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.230 -7.456 1.599 1.00 0.00 H new ATOM 923 N VAL A 77 7.761 -9.761 0.475 1.00 0.00 N ATOM 924 CA VAL A 77 6.448 -10.184 0.020 1.00 0.00 C ATOM 925 C VAL A 77 6.425 -11.708 -0.112 1.00 0.00 C ATOM 926 O VAL A 77 5.501 -12.363 0.370 1.00 0.00 O ATOM 927 CB VAL A 77 6.088 -9.465 -1.282 1.00 0.00 C ATOM 928 CG1 VAL A 77 4.660 -9.800 -1.716 1.00 0.00 C ATOM 929 CG2 VAL A 77 6.279 -7.954 -1.144 1.00 0.00 C ATOM 0 H VAL A 77 8.304 -9.241 -0.214 1.00 0.00 H new ATOM 0 HA VAL A 77 5.685 -9.910 0.748 1.00 0.00 H new ATOM 0 HB VAL A 77 6.766 -9.819 -2.059 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.429 -9.276 -2.644 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.570 -10.875 -1.874 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.961 -9.488 -0.940 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.016 -7.467 -2.083 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.637 -7.577 -0.348 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.320 -7.739 -0.903 1.00 0.00 H new ATOM 939 N CYS A 78 7.452 -12.229 -0.767 1.00 0.00 N ATOM 940 CA CYS A 78 7.561 -13.664 -0.969 1.00 0.00 C ATOM 941 C CYS A 78 7.514 -14.346 0.400 1.00 0.00 C ATOM 942 O CYS A 78 6.732 -15.272 0.609 1.00 0.00 O ATOM 943 CB CYS A 78 8.826 -14.031 -1.747 1.00 0.00 C ATOM 944 SG CYS A 78 8.967 -12.985 -3.242 1.00 0.00 S ATOM 0 H CYS A 78 8.216 -11.683 -1.165 1.00 0.00 H new ATOM 0 HA CYS A 78 6.726 -14.013 -1.577 1.00 0.00 H new ATOM 0 HB2 CYS A 78 9.704 -13.896 -1.115 1.00 0.00 H new ATOM 0 HB3 CYS A 78 8.796 -15.083 -2.031 1.00 0.00 H new ATOM 0 HG CYS A 78 9.053 -11.736 -2.891 1.00 0.00 H new ATOM 950 N GLU A 79 8.362 -13.862 1.296 1.00 0.00 N ATOM 951 CA GLU A 79 8.427 -14.414 2.638 1.00 0.00 C ATOM 952 C GLU A 79 7.131 -14.121 3.396 1.00 0.00 C ATOM 953 O GLU A 79 6.689 -14.928 4.212 1.00 0.00 O ATOM 954 CB GLU A 79 9.640 -13.870 3.396 1.00 0.00 C ATOM 955 CG GLU A 79 9.206 -12.953 4.541 1.00 0.00 C ATOM 956 CD GLU A 79 8.653 -13.766 5.714 1.00 0.00 C ATOM 957 OE1 GLU A 79 7.805 -13.267 6.468 1.00 0.00 O ATOM 958 OE2 GLU A 79 9.136 -14.956 5.828 1.00 0.00 O ATOM 0 H GLU A 79 9.009 -13.094 1.119 1.00 0.00 H new ATOM 0 HA GLU A 79 8.543 -15.495 2.560 1.00 0.00 H new ATOM 0 HB2 GLU A 79 10.227 -14.699 3.792 1.00 0.00 H new ATOM 0 HB3 GLU A 79 10.285 -13.321 2.710 1.00 0.00 H new ATOM 0 HG2 GLU A 79 10.054 -12.356 4.875 1.00 0.00 H new ATOM 0 HG3 GLU A 79 8.446 -12.257 4.186 1.00 0.00 H new ATOM 966 N GLU A 80 6.558 -12.964 3.100 1.00 0.00 N ATOM 967 CA GLU A 80 5.321 -12.555 3.743 1.00 0.00 C ATOM 968 C GLU A 80 4.163 -13.440 3.279 1.00 0.00 C ATOM 969 O GLU A 80 3.149 -13.553 3.967 1.00 0.00 O ATOM 970 CB GLU A 80 5.025 -11.078 3.472 1.00 0.00 C ATOM 971 CG GLU A 80 3.614 -10.708 3.935 1.00 0.00 C ATOM 972 CD GLU A 80 3.488 -9.200 4.158 1.00 0.00 C ATOM 973 OE1 GLU A 80 2.542 -8.576 3.655 1.00 0.00 O ATOM 974 OE2 GLU A 80 4.417 -8.677 4.884 1.00 0.00 O ATOM 0 H GLU A 80 6.928 -12.296 2.423 1.00 0.00 H new ATOM 0 HA GLU A 80 5.437 -12.677 4.820 1.00 0.00 H new ATOM 0 HB2 GLU A 80 5.756 -10.456 3.989 1.00 0.00 H new ATOM 0 HB3 GLU A 80 5.128 -10.872 2.407 1.00 0.00 H new ATOM 0 HG2 GLU A 80 2.887 -11.031 3.190 1.00 0.00 H new ATOM 0 HG3 GLU A 80 3.380 -11.237 4.859 1.00 0.00 H new ATOM 982 N LEU A 81 4.353 -14.047 2.116 1.00 0.00 N ATOM 983 CA LEU A 81 3.337 -14.919 1.553 1.00 0.00 C ATOM 984 C LEU A 81 3.513 -16.331 2.116 1.00 0.00 C ATOM 985 O LEU A 81 2.589 -17.141 2.070 1.00 0.00 O ATOM 986 CB LEU A 81 3.366 -14.858 0.024 1.00 0.00 C ATOM 987 CG LEU A 81 2.529 -13.752 -0.620 1.00 0.00 C ATOM 988 CD1 LEU A 81 2.484 -13.912 -2.140 1.00 0.00 C ATOM 989 CD2 LEU A 81 1.128 -13.698 -0.007 1.00 0.00 C ATOM 0 H LEU A 81 5.195 -13.952 1.549 1.00 0.00 H new ATOM 0 HA LEU A 81 2.342 -14.582 1.844 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.401 -14.735 -0.295 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.024 -15.817 -0.364 1.00 0.00 H new ATOM 0 HG LEU A 81 3.009 -12.796 -0.412 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.882 -13.113 -2.572 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.496 -13.862 -2.541 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.041 -14.876 -2.391 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.553 -12.903 -0.482 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.625 -14.653 -0.163 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.206 -13.500 1.062 1.00 0.00 H new ATOM 1001 N GLY A 82 4.707 -16.582 2.633 1.00 0.00 N ATOM 1002 CA GLY A 82 5.016 -17.881 3.205 1.00 0.00 C ATOM 1003 C GLY A 82 4.260 -18.994 2.476 1.00 0.00 C ATOM 1004 O GLY A 82 3.575 -19.799 3.106 1.00 0.00 O ATOM 0 H GLY A 82 5.472 -15.908 2.668 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.089 -18.064 3.143 1.00 0.00 H new ATOM 0 HA3 GLY A 82 4.752 -17.889 4.262 1.00 0.00 H new ATOM 1008 N ALA A 83 4.409 -19.004 1.160 1.00 0.00 N ATOM 1009 CA ALA A 83 3.749 -20.005 0.339 1.00 0.00 C ATOM 1010 C ALA A 83 4.783 -20.679 -0.566 1.00 0.00 C ATOM 1011 O ALA A 83 5.608 -20.004 -1.181 1.00 0.00 O ATOM 1012 CB ALA A 83 2.618 -19.350 -0.455 1.00 0.00 C ATOM 0 H ALA A 83 4.977 -18.335 0.641 1.00 0.00 H new ATOM 0 HA ALA A 83 3.303 -20.779 0.963 1.00 0.00 H new ATOM 0 HB1 ALA A 83 2.123 -20.101 -1.071 1.00 0.00 H new ATOM 0 HB2 ALA A 83 1.896 -18.912 0.234 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.028 -18.569 -1.095 1.00 0.00 H new ATOM 1018 N GLU A 84 4.704 -22.000 -0.619 1.00 0.00 N ATOM 1019 CA GLU A 84 5.622 -22.772 -1.439 1.00 0.00 C ATOM 1020 C GLU A 84 4.893 -23.951 -2.087 1.00 0.00 C ATOM 1021 O GLU A 84 5.526 -24.903 -2.541 1.00 0.00 O ATOM 1022 CB GLU A 84 6.820 -23.253 -0.617 1.00 0.00 C ATOM 1023 CG GLU A 84 7.717 -22.080 -0.218 1.00 0.00 C ATOM 1024 CD GLU A 84 7.164 -21.361 1.014 1.00 0.00 C ATOM 1025 OE1 GLU A 84 6.914 -22.002 2.046 1.00 0.00 O ATOM 1026 OE2 GLU A 84 6.996 -20.090 0.874 1.00 0.00 O ATOM 0 H GLU A 84 4.018 -22.556 -0.107 1.00 0.00 H new ATOM 0 HA GLU A 84 6.002 -22.126 -2.230 1.00 0.00 H new ATOM 0 HB2 GLU A 84 6.469 -23.768 0.277 1.00 0.00 H new ATOM 0 HB3 GLU A 84 7.396 -23.976 -1.195 1.00 0.00 H new ATOM 0 HG2 GLU A 84 8.724 -22.442 -0.011 1.00 0.00 H new ATOM 0 HG3 GLU A 84 7.795 -21.378 -1.048 1.00 0.00 H new ATOM 1034 N GLU A 85 3.572 -23.849 -2.108 1.00 0.00 N ATOM 1035 CA GLU A 85 2.750 -24.895 -2.693 1.00 0.00 C ATOM 1036 C GLU A 85 1.269 -24.611 -2.437 1.00 0.00 C ATOM 1037 O GLU A 85 0.924 -23.878 -1.511 1.00 0.00 O ATOM 1038 CB GLU A 85 3.146 -26.270 -2.151 1.00 0.00 C ATOM 1039 CG GLU A 85 3.313 -27.279 -3.289 1.00 0.00 C ATOM 1040 CD GLU A 85 4.345 -28.349 -2.926 1.00 0.00 C ATOM 1041 OE1 GLU A 85 5.506 -28.261 -3.353 1.00 0.00 O ATOM 1042 OE2 GLU A 85 3.905 -29.297 -2.170 1.00 0.00 O ATOM 0 H GLU A 85 3.051 -23.058 -1.729 1.00 0.00 H new ATOM 0 HA GLU A 85 2.918 -24.903 -3.770 1.00 0.00 H new ATOM 0 HB2 GLU A 85 4.078 -26.190 -1.591 1.00 0.00 H new ATOM 0 HB3 GLU A 85 2.385 -26.624 -1.455 1.00 0.00 H new ATOM 0 HG2 GLU A 85 2.355 -27.751 -3.505 1.00 0.00 H new ATOM 0 HG3 GLU A 85 3.624 -26.761 -4.196 1.00 0.00 H new ATOM 1050 N CYS A 86 0.432 -25.206 -3.274 1.00 0.00 N ATOM 1051 CA CYS A 86 -1.005 -25.026 -3.150 1.00 0.00 C ATOM 1052 C CYS A 86 -1.602 -26.311 -2.574 1.00 0.00 C ATOM 1053 O CYS A 86 -1.983 -27.212 -3.321 1.00 0.00 O ATOM 1054 CB CYS A 86 -1.645 -24.648 -4.487 1.00 0.00 C ATOM 1055 SG CYS A 86 -3.432 -25.040 -4.458 1.00 0.00 S ATOM 0 H CYS A 86 0.721 -25.813 -4.041 1.00 0.00 H new ATOM 0 HA CYS A 86 -1.213 -24.196 -2.475 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -1.500 -23.585 -4.681 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -1.159 -25.189 -5.298 1.00 0.00 H new ATOM 1060 N PHE A 87 -1.665 -26.356 -1.251 1.00 0.00 N ATOM 1061 CA PHE A 87 -2.210 -27.516 -0.567 1.00 0.00 C ATOM 1062 C PHE A 87 -3.624 -27.829 -1.059 1.00 0.00 C ATOM 1063 O PHE A 87 -4.045 -28.985 -1.054 1.00 0.00 O ATOM 1064 CB PHE A 87 -2.265 -27.172 0.923 1.00 0.00 C ATOM 1065 CG PHE A 87 -2.635 -28.353 1.821 1.00 0.00 C ATOM 1066 CD1 PHE A 87 -1.970 -29.533 1.702 1.00 0.00 C ATOM 1067 CD2 PHE A 87 -3.631 -28.223 2.739 1.00 0.00 C ATOM 1068 CE1 PHE A 87 -2.314 -30.630 2.536 1.00 0.00 C ATOM 1069 CE2 PHE A 87 -3.974 -29.320 3.573 1.00 0.00 C ATOM 1070 CZ PHE A 87 -3.309 -30.500 3.454 1.00 0.00 C ATOM 0 H PHE A 87 -1.348 -25.608 -0.635 1.00 0.00 H new ATOM 0 HA PHE A 87 -1.586 -28.389 -0.760 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -1.294 -26.784 1.232 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -2.990 -26.373 1.074 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -1.180 -29.636 0.973 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -4.160 -27.286 2.833 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -1.786 -31.567 2.441 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -4.764 -29.217 4.302 1.00 0.00 H new ATOM 0 HZ PHE A 87 -3.571 -31.334 4.088 1.00 0.00 H new ATOM 1080 N SER A 88 -4.319 -26.779 -1.472 1.00 0.00 N ATOM 1081 CA SER A 88 -5.677 -26.927 -1.966 1.00 0.00 C ATOM 1082 C SER A 88 -5.707 -27.927 -3.124 1.00 0.00 C ATOM 1083 O SER A 88 -6.768 -28.434 -3.484 1.00 0.00 O ATOM 1084 CB SER A 88 -6.251 -25.581 -2.412 1.00 0.00 C ATOM 1085 OG SER A 88 -6.228 -24.617 -1.362 1.00 0.00 O ATOM 0 H SER A 88 -3.966 -25.822 -1.474 1.00 0.00 H new ATOM 0 HA SER A 88 -6.297 -27.304 -1.153 1.00 0.00 H new ATOM 0 HB2 SER A 88 -5.679 -25.206 -3.261 1.00 0.00 H new ATOM 0 HB3 SER A 88 -7.276 -25.720 -2.755 1.00 0.00 H new ATOM 0 HG SER A 88 -6.819 -23.869 -1.591 1.00 0.00 H new ATOM 1091 N CYS A 89 -4.529 -28.180 -3.675 1.00 0.00 N ATOM 1092 CA CYS A 89 -4.406 -29.110 -4.785 1.00 0.00 C ATOM 1093 C CYS A 89 -5.004 -30.451 -4.356 1.00 0.00 C ATOM 1094 O CYS A 89 -5.689 -31.108 -5.138 1.00 0.00 O ATOM 1095 CB CYS A 89 -2.954 -29.252 -5.246 1.00 0.00 C ATOM 1096 SG CYS A 89 -2.617 -28.091 -6.619 1.00 0.00 S ATOM 0 H CYS A 89 -3.651 -27.757 -3.374 1.00 0.00 H new ATOM 0 HA CYS A 89 -4.955 -28.728 -5.646 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -2.279 -29.051 -4.415 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -2.765 -30.276 -5.570 1.00 0.00 H new ATOM 1101 N ASP A 90 -4.722 -30.818 -3.114 1.00 0.00 N ATOM 1102 CA ASP A 90 -5.223 -32.070 -2.572 1.00 0.00 C ATOM 1103 C ASP A 90 -6.470 -31.793 -1.729 1.00 0.00 C ATOM 1104 O ASP A 90 -6.807 -32.571 -0.839 1.00 0.00 O ATOM 1105 CB ASP A 90 -4.181 -32.735 -1.670 1.00 0.00 C ATOM 1106 CG ASP A 90 -4.380 -34.236 -1.451 1.00 0.00 C ATOM 1107 OD1 ASP A 90 -4.155 -35.049 -2.361 1.00 0.00 O ATOM 1108 OD2 ASP A 90 -4.789 -34.566 -0.273 1.00 0.00 O ATOM 0 H ASP A 90 -4.153 -30.271 -2.468 1.00 0.00 H new ATOM 0 HA ASP A 90 -5.453 -32.732 -3.407 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.193 -32.574 -2.101 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -4.191 -32.237 -0.700 1.00 0.00 H new ATOM 1114 N PHE A 91 -7.120 -30.681 -2.041 1.00 0.00 N ATOM 1115 CA PHE A 91 -8.322 -30.292 -1.324 1.00 0.00 C ATOM 1116 C PHE A 91 -9.455 -31.291 -1.568 1.00 0.00 C ATOM 1117 O PHE A 91 -10.005 -31.355 -2.667 1.00 0.00 O ATOM 1118 CB PHE A 91 -8.741 -28.922 -1.863 1.00 0.00 C ATOM 1119 CG PHE A 91 -10.060 -28.403 -1.286 1.00 0.00 C ATOM 1120 CD1 PHE A 91 -10.617 -29.014 -0.206 1.00 0.00 C ATOM 1121 CD2 PHE A 91 -10.675 -27.331 -1.853 1.00 0.00 C ATOM 1122 CE1 PHE A 91 -11.840 -28.532 0.330 1.00 0.00 C ATOM 1123 CE2 PHE A 91 -11.898 -26.849 -1.317 1.00 0.00 C ATOM 1124 CZ PHE A 91 -12.455 -27.460 -0.237 1.00 0.00 C ATOM 0 H PHE A 91 -6.837 -30.038 -2.780 1.00 0.00 H new ATOM 0 HA PHE A 91 -8.123 -30.265 -0.253 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -7.953 -28.201 -1.646 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -8.829 -28.981 -2.948 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -10.129 -29.866 0.244 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -10.233 -26.846 -2.711 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -12.282 -29.017 1.188 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -12.386 -25.997 -1.767 1.00 0.00 H new ATOM 0 HZ PHE A 91 -13.386 -27.094 0.170 1.00 0.00 H new ATOM 1134 N ASP A 92 -9.770 -32.047 -0.527 1.00 0.00 N ATOM 1135 CA ASP A 92 -10.826 -33.040 -0.615 1.00 0.00 C ATOM 1136 C ASP A 92 -12.179 -32.361 -0.391 1.00 0.00 C ATOM 1137 O ASP A 92 -12.238 -31.232 0.095 1.00 0.00 O ATOM 1138 CB ASP A 92 -10.657 -34.121 0.455 1.00 0.00 C ATOM 1139 CG ASP A 92 -9.307 -34.841 0.438 1.00 0.00 C ATOM 1140 OD1 ASP A 92 -8.366 -34.451 1.145 1.00 0.00 O ATOM 1141 OD2 ASP A 92 -9.242 -35.859 -0.352 1.00 0.00 O ATOM 0 H ASP A 92 -9.312 -31.992 0.383 1.00 0.00 H new ATOM 0 HA ASP A 92 -10.775 -33.499 -1.602 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -10.797 -33.666 1.435 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -11.448 -34.861 0.331 1.00 0.00 H new TER 1147 ASP A 92 HETATM 1148 ZN ZN A 101 -4.014 -26.075 -6.599 1.00 0.00 ZN